NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
643983 | 6th8 | 34452 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 58.741 8.509 6.497 2 H2 MET 1 HT2 MET 1 57.681 9.777 6.108 3 H3 MET 1 HT3 MET 1 57.065 8.288 6.645 4 HA MET 1 HA MET 1 58.061 8.615 8.813 5 HB2 MET 1 HB2 MET 1 58.940 11.243 7.583 6 HB3 MET 1 HB3 MET 1 59.061 10.852 9.300 7 HG2 MET 1 HG2 MET 1 60.438 8.841 8.672 8 HG3 MET 1 HG3 MET 1 60.440 9.426 7.009 9 HE1 MET 1 HE1 MET 1 60.568 12.726 7.619 10 HE2 MET 1 HE2 MET 1 61.093 11.679 6.303 11 HE3 MET 1 HE3 MET 1 62.255 12.743 7.091 12 H ASP 2 H ASP 2 56.047 8.574 9.636 13 HA ASP 2 HA ASP 2 54.397 11.021 9.393 14 HB2 ASP 2 HB2 ASP 2 52.399 9.536 9.487 15 HB3 ASP 2 HB3 ASP 2 53.368 9.301 8.035 16 HA PRO 3 HA PRO 3 55.441 9.985 13.831 17 HB2 PRO 3 HB2 PRO 3 55.584 12.612 14.666 18 HB3 PRO 3 HB3 PRO 3 56.967 11.683 14.051 19 HG2 PRO 3 HG2 PRO 3 55.246 13.660 12.643 20 HG3 PRO 3 HG3 PRO 3 57.003 13.424 12.559 21 HD2 PRO 3 HD2 PRO 3 55.372 12.506 10.614 22 HD3 PRO 3 HD3 PRO 3 56.837 11.620 11.097 23 H LYS 4 H LYS 4 54.120 10.213 15.711 24 HA LYS 4 HA LYS 4 51.377 11.148 15.144 25 HB2 LYS 4 HB2 LYS 4 52.432 9.235 17.242 26 HB3 LYS 4 HB3 LYS 4 50.740 9.695 17.052 27 HG2 LYS 4 HG2 LYS 4 50.800 8.814 14.720 28 HG3 LYS 4 HG3 LYS 4 52.452 8.268 14.996 29 HD2 LYS 4 HD2 LYS 4 51.631 6.896 16.915 30 HD3 LYS 4 HD3 LYS 4 49.981 7.364 16.500 31 HE2 LYS 4 HE2 LYS 4 50.311 6.396 14.228 32 HE3 LYS 4 HE3 LYS 4 51.915 5.851 14.720 33 HZ1 LYS 4 HZ1 LYS 4 50.594 4.018 15.119 34 HZ2 LYS 4 HZ2 LYS 4 49.278 4.941 15.671 35 HZ3 LYS 4 HZ3 LYS 4 50.654 4.750 16.649 36 H VAL 5 H VAL 5 50.479 12.788 16.339 37 HA VAL 5 HA VAL 5 51.840 13.582 18.838 38 HB VAL 5 HB VAL 5 51.349 15.980 18.260 39 HG11 VAL 5 HG11 VAL 5 53.299 15.982 16.496 40 HG12 VAL 5 HG12 VAL 5 53.365 14.258 16.863 41 HG13 VAL 5 HG13 VAL 5 53.603 15.443 18.149 42 HG21 VAL 5 HG21 VAL 5 49.759 15.732 16.459 43 HG22 VAL 5 HG22 VAL 5 50.884 14.739 15.532 44 HG23 VAL 5 HG23 VAL 5 51.219 16.451 15.779 45 H LEU 6 H LEU 6 50.618 14.359 20.443 46 HA LEU 6 HA LEU 6 47.694 14.050 20.142 47 HB2 LEU 6 HB2 LEU 6 48.860 12.622 21.835 48 HB3 LEU 6 HB3 LEU 6 49.329 14.091 22.688 49 HG LEU 6 HG LEU 6 46.780 14.650 22.629 50 HD11 LEU 6 HD11 LEU 6 46.891 11.750 21.849 51 HD12 LEU 6 HD12 LEU 6 45.838 13.027 21.240 52 HD13 LEU 6 HD13 LEU 6 45.550 12.334 22.836 53 HD21 LEU 6 HD21 LEU 6 48.073 12.518 24.344 54 HD22 LEU 6 HD22 LEU 6 46.459 13.145 24.679 55 HD23 LEU 6 HD23 LEU 6 47.850 14.227 24.722 56 H ILE 7 H ILE 7 46.360 15.733 20.505 57 HA ILE 7 HA ILE 7 47.609 18.345 21.070 58 HB ILE 7 HB ILE 7 44.861 17.770 19.933 59 HG12 ILE 7 HG12 ILE 7 47.270 18.736 18.384 60 HG13 ILE 7 HG13 ILE 7 46.866 17.021 18.493 61 HG21 ILE 7 HG21 ILE 7 44.972 20.144 19.255 62 HG22 ILE 7 HG22 ILE 7 46.547 20.290 20.034 63 HG23 ILE 7 HG23 ILE 7 45.109 19.976 21.005 64 HD11 ILE 7 HD11 ILE 7 45.900 18.375 16.497 65 HD12 ILE 7 HD12 ILE 7 44.778 19.034 17.686 66 HD13 ILE 7 HD13 ILE 7 44.818 17.298 17.383 67 H MET 8 H MET 8 47.150 19.424 22.902 68 HA MET 8 HA MET 8 45.041 18.411 24.665 69 HB2 MET 8 HB2 MET 8 47.217 20.476 25.062 70 HB3 MET 8 HB3 MET 8 46.051 20.005 26.298 71 HG2 MET 8 HG2 MET 8 46.809 17.624 26.011 72 HG3 MET 8 HG3 MET 8 48.084 18.215 24.943 73 HE1 MET 8 HE1 MET 8 47.541 18.570 29.408 74 HE2 MET 8 HE2 MET 8 46.384 18.140 28.153 75 HE3 MET 8 HE3 MET 8 46.701 19.840 28.506 76 H ARG 9 H ARG 9 43.172 19.476 25.055 77 HA ARG 9 HA ARG 9 42.217 21.362 23.209 78 HB2 ARG 9 HB2 ARG 9 40.789 19.852 24.593 79 HB3 ARG 9 HB3 ARG 9 41.149 20.861 25.995 80 HG2 ARG 9 HG2 ARG 9 40.214 22.824 24.802 81 HG3 ARG 9 HG3 ARG 9 39.800 21.782 23.440 82 HD2 ARG 9 HD2 ARG 9 38.405 20.397 24.980 83 HD3 ARG 9 HD3 ARG 9 38.743 21.548 26.270 84 HE ARG 9 HE ARG 9 36.960 21.935 24.009 85 HH11 ARG 9 HH11 ARG 9 38.755 23.522 26.575 86 HH12 ARG 9 HH12 ARG 9 37.756 24.937 26.534 87 HH21 ARG 9 HH21 ARG 9 35.710 23.781 24.002 88 HH22 ARG 9 HH22 ARG 9 36.054 25.080 25.095 89 H GLY 10 H GLY 10 41.890 23.562 23.300 90 HA2 GLY 10 HA2 GLY 10 42.718 25.115 25.601 91 HA3 GLY 10 HA3 GLY 10 43.795 25.245 24.215 92 H GLU 11 H GLU 11 42.730 27.543 24.930 93 HA GLU 11 HA GLU 11 40.189 28.271 24.078 94 HB2 GLU 11 HB2 GLU 11 41.779 29.721 25.343 95 HB3 GLU 11 HB3 GLU 11 42.681 29.968 23.846 96 HG2 GLU 11 HG2 GLU 11 40.609 30.848 22.781 97 HG3 GLU 11 HG3 GLU 11 39.773 30.679 24.317 98 H GLY 12 H GLY 12 43.110 27.767 22.162 99 HA2 GLY 12 HA2 GLY 12 42.135 28.979 19.769 100 HA3 GLY 12 HA3 GLY 12 43.489 27.857 19.887 101 H GLY 13 H GLY 13 42.085 27.492 17.707 102 HA2 GLY 13 HA2 GLY 13 39.848 25.675 18.145 103 HA3 GLY 13 HA3 GLY 13 40.434 26.258 16.592 104 H ARG 14 H ARG 14 40.183 23.580 18.503 105 HA ARG 14 HA ARG 14 42.597 22.200 18.188 106 HB2 ARG 14 HB2 ARG 14 39.757 21.150 18.195 107 HB3 ARG 14 HB3 ARG 14 41.193 20.137 18.322 108 HG2 ARG 14 HG2 ARG 14 41.870 21.416 20.354 109 HG3 ARG 14 HG3 ARG 14 40.355 22.315 20.256 110 HD2 ARG 14 HD2 ARG 14 40.636 19.318 20.602 111 HD3 ARG 14 HD3 ARG 14 40.125 20.463 21.838 112 HE ARG 14 HE ARG 14 38.444 20.703 19.571 113 HH11 ARG 14 HH11 ARG 14 39.073 18.485 22.220 114 HH12 ARG 14 HH12 ARG 14 37.462 17.850 22.202 115 HH21 ARG 14 HH21 ARG 14 36.386 19.844 19.596 116 HH22 ARG 14 HH22 ARG 14 35.961 18.611 20.734 117 H GLU 15 H GLU 15 39.837 22.541 15.990 118 HA GLU 15 HA GLU 15 40.653 20.654 14.070 119 HB2 GLU 15 HB2 GLU 15 38.386 21.701 14.207 120 HB3 GLU 15 HB3 GLU 15 39.084 23.191 13.566 121 HG2 GLU 15 HG2 GLU 15 39.869 21.926 11.570 122 HG3 GLU 15 HG3 GLU 15 39.075 20.489 12.194 123 H PHE 16 H PHE 16 41.394 24.113 14.403 124 HA PHE 16 HA PHE 16 42.590 24.448 11.871 125 HB2 PHE 16 HB2 PHE 16 41.878 26.296 13.359 126 HB3 PHE 16 HB3 PHE 16 43.207 25.914 14.437 127 HD1 PHE 16 HD1 PHE 16 42.299 27.208 11.090 128 HD2 PHE 16 HD2 PHE 16 45.461 26.590 13.930 129 HE1 PHE 16 HE1 PHE 16 43.782 28.686 9.760 130 HE2 PHE 16 HE2 PHE 16 46.945 28.068 12.600 131 HZ PHE 16 HZ PHE 16 46.105 29.115 10.515 132 H LEU 17 H LEU 17 44.146 23.949 15.058 133 HA LEU 17 HA LEU 17 46.780 23.875 14.063 134 HB2 LEU 17 HB2 LEU 17 45.674 22.500 16.525 135 HB3 LEU 17 HB3 LEU 17 47.372 22.853 16.210 136 HG LEU 17 HG LEU 17 45.188 24.947 16.416 137 HD11 LEU 17 HD11 LEU 17 46.232 25.504 18.578 138 HD12 LEU 17 HD12 LEU 17 47.371 24.172 18.377 139 HD13 LEU 17 HD13 LEU 17 45.652 23.838 18.580 140 HD21 LEU 17 HD21 LEU 17 48.193 25.064 16.056 141 HD22 LEU 17 HD22 LEU 17 47.255 26.444 16.626 142 HD23 LEU 17 HD23 LEU 17 46.951 25.773 15.023 143 H ALA 18 H ALA 18 44.444 21.263 14.635 144 HA ALA 18 HA ALA 18 46.195 19.131 14.102 145 HB1 ALA 18 HB1 ALA 18 44.236 18.418 15.113 146 HB2 ALA 18 HB2 ALA 18 43.901 17.997 13.435 147 HB3 ALA 18 HB3 ALA 18 43.222 19.471 14.126 148 H GLU 19 H GLU 19 44.127 21.050 11.953 149 HA GLU 19 HA GLU 19 44.407 19.472 9.651 150 HB2 GLU 19 HB2 GLU 19 42.783 21.358 9.937 151 HB3 GLU 19 HB3 GLU 19 44.128 22.484 9.755 152 HG2 GLU 19 HG2 GLU 19 44.638 21.467 7.540 153 HG3 GLU 19 HG3 GLU 19 43.229 20.431 7.716 154 H ARG 20 H ARG 20 46.384 22.149 10.900 155 HA ARG 20 HA ARG 20 48.117 22.384 8.705 156 HB2 ARG 20 HB2 ARG 20 47.983 23.976 10.622 157 HB3 ARG 20 HB3 ARG 20 48.837 22.793 11.615 158 HG2 ARG 20 HG2 ARG 20 50.753 22.855 10.092 159 HG3 ARG 20 HG3 ARG 20 49.900 23.980 9.035 160 HD2 ARG 20 HD2 ARG 20 51.377 25.286 10.415 161 HD3 ARG 20 HD3 ARG 20 49.737 25.564 10.991 162 HE ARG 20 HE ARG 20 51.004 23.403 12.381 163 HH11 ARG 20 HH11 ARG 20 50.818 26.907 12.275 164 HH12 ARG 20 HH12 ARG 20 51.277 27.080 13.937 165 HH21 ARG 20 HH21 ARG 20 51.589 23.689 14.513 166 HH22 ARG 20 HH22 ARG 20 51.708 25.280 15.187 167 H LEU 21 H LEU 21 48.557 20.455 11.695 168 HA LEU 21 HA LEU 21 51.042 19.361 10.924 169 HB2 LEU 21 HB2 LEU 21 48.947 18.370 12.859 170 HB3 LEU 21 HB3 LEU 21 50.518 17.596 12.651 171 HG LEU 21 HG LEU 21 50.211 20.540 13.285 172 HD11 LEU 21 HD11 LEU 21 49.316 18.770 15.025 173 HD12 LEU 21 HD12 LEU 21 50.344 20.095 15.569 174 HD13 LEU 21 HD13 LEU 21 51.032 18.492 15.324 175 HD21 LEU 21 HD21 LEU 21 52.380 20.237 12.480 176 HD22 LEU 21 HD22 LEU 21 52.477 18.578 13.069 177 HD23 LEU 21 HD23 LEU 21 52.624 19.924 14.198 178 H ARG 22 H ARG 22 47.727 18.250 10.367 179 HA ARG 22 HA ARG 22 48.358 15.705 9.334 180 HB2 ARG 22 HB2 ARG 22 46.076 16.447 10.013 181 HB3 ARG 22 HB3 ARG 22 46.019 17.471 8.579 182 HG2 ARG 22 HG2 ARG 22 46.370 15.469 7.155 183 HG3 ARG 22 HG3 ARG 22 46.353 14.457 8.601 184 HD2 ARG 22 HD2 ARG 22 44.064 15.312 9.118 185 HD3 ARG 22 HD3 ARG 22 44.084 16.195 7.595 186 HE ARG 22 HE ARG 22 44.685 13.513 7.041 187 HH11 ARG 22 HH11 ARG 22 41.949 15.379 8.206 188 HH12 ARG 22 HH12 ARG 22 40.788 14.259 7.576 189 HH21 ARG 22 HH21 ARG 22 43.144 12.106 6.252 190 HH22 ARG 22 HH22 ARG 22 41.458 12.429 6.484 191 H GLY 23 H GLY 23 48.010 18.861 7.741 192 HA2 GLY 23 HA2 GLY 23 48.216 17.986 5.086 193 HA3 GLY 23 HA3 GLY 23 48.654 19.591 5.658 194 H GLN 24 H GLN 24 50.723 18.597 7.495 195 HA GLN 24 HA GLN 24 52.839 18.245 5.535 196 HB2 GLN 24 HB2 GLN 24 52.916 18.638 8.523 197 HB3 GLN 24 HB3 GLN 24 54.350 18.495 7.504 198 HG2 GLN 24 HG2 GLN 24 53.635 20.433 6.184 199 HG3 GLN 24 HG3 GLN 24 52.165 20.565 7.146 200 HE21 GLN 24 HE21 GLN 24 54.120 22.685 6.952 201 HE22 GLN 24 HE22 GLN 24 54.805 22.899 8.489 202 H GLY 25 H GLY 25 50.894 15.963 6.749 203 HA2 GLY 25 HA2 GLY 25 51.216 13.674 6.350 204 HA3 GLY 25 HA3 GLY 25 52.951 13.942 6.319 205 H VAL 26 H VAL 26 51.249 15.296 9.024 206 HA VAL 26 HA VAL 26 52.369 13.196 10.754 207 HB VAL 26 HB VAL 26 51.260 15.917 11.497 208 HG11 VAL 26 HG11 VAL 26 51.220 14.142 13.279 209 HG12 VAL 26 HG12 VAL 26 52.272 15.505 13.662 210 HG13 VAL 26 HG13 VAL 26 52.967 13.986 13.096 211 HG21 VAL 26 HG21 VAL 26 53.650 16.527 11.806 212 HG22 VAL 26 HG22 VAL 26 53.291 16.123 10.127 213 HG23 VAL 26 HG23 VAL 26 54.120 14.956 11.158 214 H GLN 27 H GLN 27 51.114 11.958 12.069 215 HA GLN 27 HA GLN 27 48.262 11.848 11.516 216 HB2 GLN 27 HB2 GLN 27 49.974 10.248 13.436 217 HB3 GLN 27 HB3 GLN 27 48.297 9.895 13.023 218 HG2 GLN 27 HG2 GLN 27 48.993 9.670 10.627 219 HG3 GLN 27 HG3 GLN 27 50.670 9.864 11.137 220 HE21 GLN 27 HE21 GLN 27 51.727 8.042 12.080 221 HE22 GLN 27 HE22 GLN 27 50.963 6.543 12.300 222 H VAL 28 H VAL 28 46.689 12.710 12.799 223 HA VAL 28 HA VAL 28 47.604 14.055 15.287 224 HB VAL 28 HB VAL 28 45.485 15.021 13.353 225 HG11 VAL 28 HG11 VAL 28 44.920 15.934 15.430 226 HG12 VAL 28 HG12 VAL 28 46.004 17.165 14.782 227 HG13 VAL 28 HG13 VAL 28 46.599 16.004 15.967 228 HG21 VAL 28 HG21 VAL 28 47.109 16.731 12.710 229 HG22 VAL 28 HG22 VAL 28 47.810 15.138 12.431 230 HG23 VAL 28 HG23 VAL 28 48.290 16.077 13.845 231 H ASP 29 H ASP 29 46.610 13.538 17.079 232 HA ASP 29 HA ASP 29 43.738 12.870 16.987 233 HB2 ASP 29 HB2 ASP 29 45.080 10.778 17.297 234 HB3 ASP 29 HB3 ASP 29 45.761 11.480 18.763 235 H TYR 30 H TYR 30 42.557 13.996 18.498 236 HA TYR 30 HA TYR 30 44.105 15.625 20.437 237 HB2 TYR 30 HB2 TYR 30 42.484 17.354 20.213 238 HB3 TYR 30 HB3 TYR 30 43.031 16.903 18.613 239 HD1 TYR 30 HD1 TYR 30 40.210 17.169 20.875 240 HD2 TYR 30 HD2 TYR 30 41.539 15.520 17.137 241 HE1 TYR 30 HE1 TYR 30 37.851 16.818 20.191 242 HE2 TYR 30 HE2 TYR 30 39.180 15.170 16.453 243 HH TYR 30 HH TYR 30 36.991 14.969 17.507 244 H LEU 31 H LEU 31 43.492 15.665 22.531 245 HA LEU 31 HA LEU 31 41.272 13.883 23.328 246 HB2 LEU 31 HB2 LEU 31 43.505 12.986 23.865 247 HB3 LEU 31 HB3 LEU 31 43.874 14.455 24.760 248 HG LEU 31 HG LEU 31 41.611 13.795 26.052 249 HD11 LEU 31 HD11 LEU 31 40.939 11.845 24.939 250 HD12 LEU 31 HD12 LEU 31 41.799 11.218 26.348 251 HD13 LEU 31 HD13 LEU 31 42.593 11.257 24.772 252 HD21 LEU 31 HD21 LEU 31 44.300 12.474 26.520 253 HD22 LEU 31 HD22 LEU 31 43.015 12.621 27.718 254 HD23 LEU 31 HD23 LEU 31 43.817 14.066 27.104 255 HA PRO 32 HA PRO 32 39.987 17.755 25.390 256 HB2 PRO 32 HB2 PRO 32 37.864 16.806 26.826 257 HB3 PRO 32 HB3 PRO 32 37.772 17.199 25.098 258 HG2 PRO 32 HG2 PRO 32 38.020 14.561 26.424 259 HG3 PRO 32 HG3 PRO 32 37.120 15.017 24.968 260 HD2 PRO 32 HD2 PRO 32 39.547 13.725 24.904 261 HD3 PRO 32 HD3 PRO 32 38.939 14.754 23.592 262 H LEU 33 H LEU 33 40.543 18.671 27.314 263 HA LEU 33 HA LEU 33 42.262 17.289 29.049 264 HB2 LEU 33 HB2 LEU 33 40.808 19.902 29.505 265 HB3 LEU 33 HB3 LEU 33 42.197 19.330 30.426 266 HG LEU 33 HG LEU 33 42.215 19.761 27.428 267 HD11 LEU 33 HD11 LEU 33 42.270 21.967 27.969 268 HD12 LEU 33 HD12 LEU 33 43.931 21.661 28.470 269 HD13 LEU 33 HD13 LEU 33 42.632 21.659 29.662 270 HD21 LEU 33 HD21 LEU 33 43.873 18.159 28.038 271 HD22 LEU 33 HD22 LEU 33 44.323 19.072 29.481 272 HD23 LEU 33 HD23 LEU 33 44.719 19.695 27.881 273 H ASP 34 H ASP 34 38.883 17.080 29.025 274 HA ASP 34 HA ASP 34 38.479 16.949 31.864 275 HB2 ASP 34 HB2 ASP 34 36.740 16.090 29.550 276 HB3 ASP 34 HB3 ASP 34 36.228 16.102 31.236 277 H TYR 35 H TYR 35 39.898 14.696 29.735 278 HA TYR 35 HA TYR 35 38.817 12.285 30.716 279 HB2 TYR 35 HB2 TYR 35 41.279 13.071 29.256 280 HB3 TYR 35 HB3 TYR 35 41.297 11.505 30.043 281 HD1 TYR 35 HD1 TYR 35 40.449 9.658 28.916 282 HD2 TYR 35 HD2 TYR 35 39.170 13.593 27.766 283 HE1 TYR 35 HE1 TYR 35 39.186 8.690 27.014 284 HE2 TYR 35 HE2 TYR 35 37.907 12.625 25.863 285 HH TYR 35 HH TYR 35 36.883 10.121 25.446 286 HA PRO 36 HA PRO 36 40.659 12.235 34.736 287 HB2 PRO 36 HB2 PRO 36 40.483 9.633 35.433 288 HB3 PRO 36 HB3 PRO 36 39.042 10.650 35.231 289 HG2 PRO 36 HG2 PRO 36 40.199 8.629 33.385 290 HG3 PRO 36 HG3 PRO 36 38.502 8.988 33.751 291 HD2 PRO 36 HD2 PRO 36 39.829 9.901 31.499 292 HD3 PRO 36 HD3 PRO 36 38.382 10.661 32.191 293 H ALA 37 H ALA 37 42.476 11.553 36.006 294 HA ALA 37 HA ALA 37 44.905 11.464 34.668 295 HB1 ALA 37 HB1 ALA 37 44.710 12.123 37.014 296 HB2 ALA 37 HB2 ALA 37 45.888 10.822 36.841 297 HB3 ALA 37 HB3 ALA 37 44.272 10.473 37.456 298 H GLY 38 H GLY 38 46.487 9.829 34.408 299 HA2 GLY 38 HA2 GLY 38 47.213 7.584 34.252 300 HA3 GLY 38 HA3 GLY 38 45.558 7.051 34.527 301 H GLU 39 H GLU 39 44.325 8.759 32.525 302 HA GLU 39 HA GLU 39 44.526 7.011 30.316 303 HB2 GLU 39 HB2 GLU 39 43.348 9.790 30.515 304 HB3 GLU 39 HB3 GLU 39 43.143 8.719 29.129 305 HG2 GLU 39 HG2 GLU 39 42.323 8.072 31.976 306 HG3 GLU 39 HG3 GLU 39 41.228 8.567 30.691 307 H LEU 40 H LEU 40 46.059 10.117 31.011 308 HA LEU 40 HA LEU 40 47.001 10.710 28.429 309 HB2 LEU 40 HB2 LEU 40 47.037 12.281 30.359 310 HB3 LEU 40 HB3 LEU 40 48.331 11.327 31.081 311 HG LEU 40 HG LEU 40 49.630 11.708 28.906 312 HD11 LEU 40 HD11 LEU 40 47.815 12.409 27.469 313 HD12 LEU 40 HD12 LEU 40 48.904 13.781 27.673 314 HD13 LEU 40 HD13 LEU 40 47.388 13.719 28.572 315 HD21 LEU 40 HD21 LEU 40 49.043 14.324 30.263 316 HD22 LEU 40 HD22 LEU 40 50.598 13.640 29.787 317 HD23 LEU 40 HD23 LEU 40 49.753 13.006 31.198 318 H LEU 41 H LEU 41 48.496 8.881 31.091 319 HA LEU 41 HA LEU 41 50.978 8.473 29.785 320 HB2 LEU 41 HB2 LEU 41 50.590 8.233 32.244 321 HB3 LEU 41 HB3 LEU 41 49.716 6.736 31.918 322 HG LEU 41 HG LEU 41 51.824 5.960 30.672 323 HD11 LEU 41 HD11 LEU 41 53.917 7.092 31.501 324 HD12 LEU 41 HD12 LEU 41 52.898 8.370 32.162 325 HD13 LEU 41 HD13 LEU 41 52.944 8.092 30.422 326 HD21 LEU 41 HD21 LEU 41 53.033 5.630 32.987 327 HD22 LEU 41 HD22 LEU 41 51.463 4.876 32.709 328 HD23 LEU 41 HD23 LEU 41 51.572 6.370 33.638 329 H ALA 42 H ALA 42 48.062 6.440 30.018 330 HA ALA 42 HA ALA 42 49.173 4.170 28.775 331 HB1 ALA 42 HB1 ALA 42 46.674 3.720 28.201 332 HB2 ALA 42 HB2 ALA 42 46.362 5.164 29.165 333 HB3 ALA 42 HB3 ALA 42 47.158 3.770 29.896 334 H ARG 43 H ARG 43 47.386 6.926 27.418 335 HA ARG 43 HA ARG 43 47.246 5.967 24.772 336 HB2 ARG 43 HB2 ARG 43 45.937 7.894 25.656 337 HB3 ARG 43 HB3 ARG 43 47.418 8.851 25.678 338 HG2 ARG 43 HG2 ARG 43 47.681 8.442 23.233 339 HG3 ARG 43 HG3 ARG 43 46.135 7.590 23.237 340 HD2 ARG 43 HD2 ARG 43 46.545 10.477 24.065 341 HD3 ARG 43 HD3 ARG 43 45.864 9.944 22.531 342 HE ARG 43 HE ARG 43 44.500 10.092 25.041 343 HH11 ARG 43 HH11 ARG 43 44.622 8.227 22.070 344 HH12 ARG 43 HH12 ARG 43 42.983 7.689 22.223 345 HH21 ARG 43 HH21 ARG 43 42.397 9.363 25.186 346 HH22 ARG 43 HH22 ARG 43 41.740 8.326 23.965 347 H VAL 44 H VAL 44 49.723 7.909 26.429 348 HA VAL 44 HA VAL 44 51.254 8.500 24.141 349 HB VAL 44 HB VAL 44 52.130 8.206 27.028 350 HG11 VAL 44 HG11 VAL 44 53.481 9.654 24.727 351 HG12 VAL 44 HG12 VAL 44 54.040 8.140 25.438 352 HG13 VAL 44 HG13 VAL 44 54.038 9.617 26.400 353 HG21 VAL 44 HG21 VAL 44 51.574 10.448 27.322 354 HG22 VAL 44 HG22 VAL 44 50.285 9.928 26.240 355 HG23 VAL 44 HG23 VAL 44 51.668 10.810 25.600 356 H ARG 45 H ARG 45 51.443 5.789 26.434 357 HA ARG 45 HA ARG 45 53.784 4.648 25.302 358 HB2 ARG 45 HB2 ARG 45 52.954 4.197 27.605 359 HB3 ARG 45 HB3 ARG 45 51.627 3.267 26.910 360 HG2 ARG 45 HG2 ARG 45 53.299 1.794 25.784 361 HG3 ARG 45 HG3 ARG 45 54.585 2.676 26.608 362 HD2 ARG 45 HD2 ARG 45 52.333 1.176 27.976 363 HD3 ARG 45 HD3 ARG 45 53.995 0.610 27.826 364 HE ARG 45 HE ARG 45 54.010 3.166 29.016 365 HH11 ARG 45 HH11 ARG 45 53.055 -0.117 29.810 366 HH12 ARG 45 HH12 ARG 45 53.297 0.116 31.510 367 HH21 ARG 45 HH21 ARG 45 54.303 3.408 31.214 368 HH22 ARG 45 HH22 ARG 45 53.995 2.088 32.293 369 H ALA 46 H ALA 46 50.333 3.792 24.919 370 HA ALA 46 HA ALA 46 50.840 1.545 23.267 371 HB1 ALA 46 HB1 ALA 46 48.706 2.251 24.629 372 HB2 ALA 46 HB2 ALA 46 48.541 1.312 23.144 373 HB3 ALA 46 HB3 ALA 46 48.259 3.052 23.122 374 H GLU 47 H GLU 47 49.888 4.896 22.504 375 HA GLU 47 HA GLU 47 49.880 4.400 19.670 376 HB2 GLU 47 HB2 GLU 47 49.794 6.974 21.247 377 HB3 GLU 47 HB3 GLU 47 49.568 6.853 19.502 378 HG2 GLU 47 HG2 GLU 47 47.664 5.297 19.885 379 HG3 GLU 47 HG3 GLU 47 47.860 5.518 21.618 380 H ARG 48 H ARG 48 52.436 4.926 21.864 381 HA ARG 48 HA ARG 48 54.642 5.507 21.610 382 HB2 ARG 48 HB2 ARG 48 54.052 4.597 18.783 383 HB3 ARG 48 HB3 ARG 48 55.667 4.849 19.447 384 HG2 ARG 48 HG2 ARG 48 55.155 3.183 21.231 385 HG3 ARG 48 HG3 ARG 48 53.600 2.875 20.458 386 HD2 ARG 48 HD2 ARG 48 54.855 2.295 18.349 387 HD3 ARG 48 HD3 ARG 48 56.348 2.408 19.276 388 HE ARG 48 HE ARG 48 54.301 0.619 20.340 389 HH11 ARG 48 HH11 ARG 48 57.249 0.893 18.452 390 HH12 ARG 48 HH12 ARG 48 57.648 -0.780 18.650 391 HH21 ARG 48 HH21 ARG 48 54.869 -1.525 20.560 392 HH22 ARG 48 HH22 ARG 48 56.317 -2.131 19.829 393 H LEU 49 H LEU 49 53.335 7.721 21.822 394 HA LEU 49 HA LEU 49 53.167 9.393 19.527 395 HB2 LEU 49 HB2 LEU 49 53.317 10.164 22.452 396 HB3 LEU 49 HB3 LEU 49 52.851 11.239 21.136 397 HG LEU 49 HG LEU 49 51.397 8.682 21.884 398 HD11 LEU 49 HD11 LEU 49 49.671 10.178 22.770 399 HD12 LEU 49 HD12 LEU 49 50.623 11.588 22.300 400 HD13 LEU 49 HD13 LEU 49 51.205 10.517 23.572 401 HD21 LEU 49 HD21 LEU 49 51.055 10.782 19.754 402 HD22 LEU 49 HD22 LEU 49 49.635 9.948 20.389 403 HD23 LEU 49 HD23 LEU 49 50.924 9.029 19.613 404 H ASN 50 H ASN 50 54.482 10.905 18.708 405 HA ASN 50 HA ASN 50 57.299 10.833 19.470 406 HB2 ASN 50 HB2 ASN 50 55.825 12.180 17.200 407 HB3 ASN 50 HB3 ASN 50 57.560 12.316 17.465 408 HD21 ASN 50 HD21 ASN 50 58.870 10.635 16.688 409 HD22 ASN 50 HD22 ASN 50 58.263 9.213 15.993 410 H GLY 51 H GLY 51 54.559 13.090 19.348 411 HA2 GLY 51 HA2 GLY 51 56.055 14.917 21.098 412 HA3 GLY 51 HA3 GLY 51 55.545 15.550 19.543 413 H LEU 52 H LEU 52 54.833 16.610 22.004 414 HA LEU 52 HA LEU 52 51.896 16.220 21.984 415 HB2 LEU 52 HB2 LEU 52 53.600 16.961 24.379 416 HB3 LEU 52 HB3 LEU 52 51.853 16.732 24.370 417 HG LEU 52 HG LEU 52 53.877 14.581 23.675 418 HD11 LEU 52 HD11 LEU 52 52.172 14.898 26.164 419 HD12 LEU 52 HD12 LEU 52 53.891 15.283 26.083 420 HD13 LEU 52 HD13 LEU 52 53.348 13.622 25.848 421 HD21 LEU 52 HD21 LEU 52 51.839 13.112 23.940 422 HD22 LEU 52 HD22 LEU 52 51.757 14.205 22.558 423 HD23 LEU 52 HD23 LEU 52 50.865 14.578 24.034 424 H VAL 53 H VAL 53 50.675 18.109 21.911 425 HA VAL 53 HA VAL 53 52.208 20.650 21.756 426 HB VAL 53 HB VAL 53 49.689 19.920 20.239 427 HG11 VAL 53 HG11 VAL 53 51.470 22.355 20.339 428 HG12 VAL 53 HG12 VAL 53 49.715 22.271 20.486 429 HG13 VAL 53 HG13 VAL 53 50.482 22.005 18.921 430 HG21 VAL 53 HG21 VAL 53 51.062 19.682 18.288 431 HG22 VAL 53 HG22 VAL 53 51.822 18.699 19.539 432 HG23 VAL 53 HG23 VAL 53 52.484 20.283 19.137 433 H VAL 54 H VAL 54 51.618 22.217 23.138 434 HA VAL 54 HA VAL 54 48.904 22.078 24.336 435 HB VAL 54 HB VAL 54 49.914 23.455 26.221 436 HG11 VAL 54 HG11 VAL 54 49.305 21.361 26.885 437 HG12 VAL 54 HG12 VAL 54 51.044 21.232 27.138 438 HG13 VAL 54 HG13 VAL 54 50.308 20.545 25.687 439 HG21 VAL 54 HG21 VAL 54 52.225 23.501 26.574 440 HG22 VAL 54 HG22 VAL 54 52.104 23.788 24.838 441 HG23 VAL 54 HG23 VAL 54 52.528 22.185 25.439 442 H SER 55 H SER 55 47.613 23.729 24.071 443 HA SER 55 HA SER 55 48.337 25.932 22.410 444 HB2 SER 55 HB2 SER 55 45.869 25.552 24.115 445 HB3 SER 55 HB3 SER 55 46.057 26.700 22.793 446 HG SER 55 HG SER 55 46.340 24.905 21.455 447 H SER 56 H SER 56 48.179 25.467 25.908 448 HA SER 56 HA SER 56 49.239 28.123 26.349 449 HB2 SER 56 HB2 SER 56 47.403 29.006 27.622 450 HB3 SER 56 HB3 SER 56 46.775 28.498 26.057 451 HG SER 56 HG SER 56 45.647 27.068 27.081 452 H GLY 57 H GLY 57 49.444 28.589 28.733 453 HA2 GLY 57 HA2 GLY 57 50.825 26.567 30.063 454 HA3 GLY 57 HA3 GLY 57 50.158 27.997 30.841 455 H GLN 58 H GLN 58 47.386 27.424 30.195 456 HA GLN 58 HA GLN 58 46.680 25.950 32.478 457 HB2 GLN 58 HB2 GLN 58 45.063 26.587 30.000 458 HB3 GLN 58 HB3 GLN 58 44.388 25.942 31.498 459 HG2 GLN 58 HG2 GLN 58 45.178 27.896 32.736 460 HG3 GLN 58 HG3 GLN 58 45.949 28.532 31.285 461 HE21 GLN 58 HE21 GLN 58 43.944 30.021 32.683 462 HE22 GLN 58 HE22 GLN 58 42.573 30.133 31.690 463 H GLY 59 H GLY 59 46.693 24.979 29.040 464 HA2 GLY 59 HA2 GLY 59 45.823 22.337 29.395 465 HA3 GLY 59 HA3 GLY 59 46.830 22.900 28.063 466 H LEU 60 H LEU 60 49.083 23.739 29.455 467 HA LEU 60 HA LEU 60 50.572 21.384 29.620 468 HB2 LEU 60 HB2 LEU 60 51.496 23.662 29.258 469 HB3 LEU 60 HB3 LEU 60 51.171 24.035 30.952 470 HG LEU 60 HG LEU 60 52.595 22.023 31.561 471 HD11 LEU 60 HD11 LEU 60 52.968 22.109 28.581 472 HD12 LEU 60 HD12 LEU 60 52.736 20.712 29.634 473 HD13 LEU 60 HD13 LEU 60 54.287 21.551 29.610 474 HD21 LEU 60 HD21 LEU 60 54.541 23.313 31.574 475 HD22 LEU 60 HD22 LEU 60 53.306 24.551 31.349 476 HD23 LEU 60 HD23 LEU 60 54.236 23.972 29.967 477 H GLN 61 H GLN 61 49.131 23.341 32.204 478 HA GLN 61 HA GLN 61 50.159 21.869 34.379 479 HB2 GLN 61 HB2 GLN 61 47.604 23.476 34.157 480 HB3 GLN 61 HB3 GLN 61 48.279 22.872 35.670 481 HG2 GLN 61 HG2 GLN 61 49.675 24.761 33.751 482 HG3 GLN 61 HG3 GLN 61 48.927 25.223 35.278 483 HE21 GLN 61 HE21 GLN 61 51.912 24.812 34.072 484 HE22 GLN 61 HE22 GLN 61 52.710 24.151 35.416 485 H ASN 62 H ASN 62 47.121 21.545 32.566 486 HA ASN 62 HA ASN 62 46.008 19.434 34.035 487 HB2 ASN 62 HB2 ASN 62 45.790 20.008 31.071 488 HB3 ASN 62 HB3 ASN 62 44.734 18.925 31.979 489 HD21 ASN 62 HD21 ASN 62 44.430 21.775 30.631 490 HD22 ASN 62 HD22 ASN 62 43.580 22.640 31.816 491 H LEU 63 H LEU 63 48.350 19.410 31.383 492 HA LEU 63 HA LEU 63 48.468 16.660 30.880 493 HB2 LEU 63 HB2 LEU 63 49.631 18.482 29.578 494 HB3 LEU 63 HB3 LEU 63 50.821 18.564 30.871 495 HG LEU 63 HG LEU 63 51.051 15.996 30.515 496 HD11 LEU 63 HD11 LEU 63 50.454 15.164 28.352 497 HD12 LEU 63 HD12 LEU 63 50.039 16.776 27.773 498 HD13 LEU 63 HD13 LEU 63 49.019 15.980 28.972 499 HD21 LEU 63 HD21 LEU 63 52.863 17.502 29.991 500 HD22 LEU 63 HD22 LEU 63 52.037 18.075 28.542 501 HD23 LEU 63 HD23 LEU 63 52.661 16.427 28.607 502 H TYR 64 H TYR 64 50.227 18.649 33.219 503 HA TYR 64 HA TYR 64 51.924 16.656 34.236 504 HB2 TYR 64 HB2 TYR 64 52.062 19.147 34.608 505 HB3 TYR 64 HB3 TYR 64 50.759 18.979 35.769 506 HD1 TYR 64 HD1 TYR 64 51.143 17.959 37.951 507 HD2 TYR 64 HD2 TYR 64 54.301 18.265 35.049 508 HE1 TYR 64 HE1 TYR 64 52.814 17.437 39.708 509 HE2 TYR 64 HE2 TYR 64 55.959 17.748 36.798 510 HH TYR 64 HH TYR 64 55.156 16.523 39.775 511 H GLN 65 H GLN 65 48.723 17.745 35.329 512 HA GLN 65 HA GLN 65 48.585 16.117 37.627 513 HB2 GLN 65 HB2 GLN 65 46.374 17.242 35.894 514 HB3 GLN 65 HB3 GLN 65 46.125 16.501 37.475 515 HG2 GLN 65 HG2 GLN 65 47.561 18.177 38.525 516 HG3 GLN 65 HG3 GLN 65 47.914 18.891 36.955 517 HE21 GLN 65 HE21 GLN 65 46.717 20.422 39.059 518 HE22 GLN 65 HE22 GLN 65 45.135 20.821 38.592 519 H LEU 66 H LEU 66 47.452 15.552 34.307 520 HA LEU 66 HA LEU 66 46.310 13.012 34.836 521 HB2 LEU 66 HB2 LEU 66 47.350 14.181 32.245 522 HB3 LEU 66 HB3 LEU 66 46.401 12.701 32.368 523 HG LEU 66 HG LEU 66 45.463 15.410 33.358 524 HD11 LEU 66 HD11 LEU 66 45.439 15.670 31.030 525 HD12 LEU 66 HD12 LEU 66 43.834 15.005 31.333 526 HD13 LEU 66 HD13 LEU 66 45.127 13.959 30.745 527 HD21 LEU 66 HD21 LEU 66 44.336 13.678 34.557 528 HD22 LEU 66 HD22 LEU 66 44.185 12.677 33.113 529 HD23 LEU 66 HD23 LEU 66 43.229 14.152 33.269 530 H ALA 67 H ALA 67 49.566 14.004 33.925 531 HA ALA 67 HA ALA 67 50.659 11.504 33.306 532 HB1 ALA 67 HB1 ALA 67 51.916 13.515 32.881 533 HB2 ALA 67 HB2 ALA 67 52.823 12.555 34.047 534 HB3 ALA 67 HB3 ALA 67 51.893 13.950 34.588 535 H ALA 68 H ALA 68 50.261 13.145 36.433 536 HA ALA 68 HA ALA 68 50.190 12.303 38.566 537 HB1 ALA 68 HB1 ALA 68 49.844 9.504 37.626 538 HB2 ALA 68 HB2 ALA 68 48.654 10.669 37.046 539 HB3 ALA 68 HB3 ALA 68 48.886 10.433 38.779 540 H ALA 69 H ALA 69 51.194 9.328 39.019 541 HA ALA 69 HA ALA 69 53.729 10.102 39.950 542 HB1 ALA 69 HB1 ALA 69 52.458 8.233 40.894 543 HB2 ALA 69 HB2 ALA 69 54.068 7.714 40.392 544 HB3 ALA 69 HB3 ALA 69 52.666 7.326 39.396 545 H ASP 70 H ASP 70 52.774 9.189 36.747 546 HA ASP 70 HA ASP 70 55.418 8.112 36.085 547 HB2 ASP 70 HB2 ASP 70 52.910 8.381 34.423 548 HB3 ASP 70 HB3 ASP 70 54.398 7.586 33.908 549 H TRP 71 H TRP 71 54.467 11.193 36.416 550 HA TRP 71 HA TRP 71 54.920 12.537 34.077 551 HB2 TRP 71 HB2 TRP 71 54.265 13.735 35.998 552 HB3 TRP 71 HB3 TRP 71 55.672 13.232 36.900 553 HD1 TRP 71 HD1 TRP 71 57.434 15.006 37.134 554 HE1 TRP 71 HE1 TRP 71 58.108 17.132 35.846 555 HE3 TRP 71 HE3 TRP 71 54.209 14.727 33.177 556 HZ2 TRP 71 HZ2 TRP 71 57.413 18.516 33.453 557 HZ3 TRP 71 HZ3 TRP 71 54.247 16.458 31.407 558 HH2 TRP 71 HH2 TRP 71 55.846 18.351 31.538 559 HA PRO 72 HA PRO 72 59.829 12.339 34.944 560 HB2 PRO 72 HB2 PRO 72 59.663 9.425 35.624 561 HB3 PRO 72 HB3 PRO 72 60.873 10.629 36.112 562 HG2 PRO 72 HG2 PRO 72 58.955 9.840 37.775 563 HG3 PRO 72 HG3 PRO 72 59.541 11.513 37.750 564 HD2 PRO 72 HD2 PRO 72 56.950 10.432 36.814 565 HD3 PRO 72 HD3 PRO 72 57.369 12.080 37.326 566 H GLU 73 H GLU 73 57.819 9.607 33.782 567 HA GLU 73 HA GLU 73 59.650 9.015 31.623 568 HB2 GLU 73 HB2 GLU 73 56.850 8.037 32.220 569 HB3 GLU 73 HB3 GLU 73 57.848 7.447 30.891 570 HG2 GLU 73 HG2 GLU 73 58.227 5.895 32.632 571 HG3 GLU 73 HG3 GLU 73 59.631 6.952 32.675 572 H ILE 74 H ILE 74 56.417 10.461 31.906 573 HA ILE 74 HA ILE 74 55.949 10.840 29.165 574 HB ILE 74 HB ILE 74 54.917 12.414 31.540 575 HG12 ILE 74 HG12 ILE 74 53.626 10.151 29.996 576 HG13 ILE 74 HG13 ILE 74 54.547 9.897 31.476 577 HG21 ILE 74 HG21 ILE 74 53.711 12.137 28.770 578 HG22 ILE 74 HG22 ILE 74 54.616 13.554 29.307 579 HG23 ILE 74 HG23 ILE 74 53.103 13.122 30.102 580 HD11 ILE 74 HD11 ILE 74 52.943 10.864 32.808 581 HD12 ILE 74 HD12 ILE 74 51.903 10.273 31.516 582 HD13 ILE 74 HD13 ILE 74 52.391 11.965 31.546 583 H GLY 75 H GLY 75 57.593 12.877 31.522 584 HA2 GLY 75 HA2 GLY 75 57.712 15.263 30.046 585 HA3 GLY 75 HA3 GLY 75 58.800 14.814 31.349 586 H ARG 76 H ARG 76 59.396 12.317 29.519 587 HA ARG 76 HA ARG 76 61.830 13.282 28.448 588 HB2 ARG 76 HB2 ARG 76 60.291 10.734 27.901 589 HB3 ARG 76 HB3 ARG 76 61.964 11.031 27.416 590 HG2 ARG 76 HG2 ARG 76 62.608 11.365 29.756 591 HG3 ARG 76 HG3 ARG 76 60.939 11.123 30.269 592 HD2 ARG 76 HD2 ARG 76 62.111 9.055 30.608 593 HD3 ARG 76 HD3 ARG 76 61.040 8.834 29.228 594 HE ARG 76 HE ARG 76 62.911 8.726 27.825 595 HH11 ARG 76 HH11 ARG 76 63.925 9.581 31.076 596 HH12 ARG 76 HH12 ARG 76 65.599 9.304 30.733 597 HH21 ARG 76 HH21 ARG 76 65.081 8.389 27.443 598 HH22 ARG 76 HH22 ARG 76 66.245 8.639 28.701 599 H LEU 77 H LEU 77 58.604 13.030 27.089 600 HA LEU 77 HA LEU 77 59.465 12.906 24.365 601 HB2 LEU 77 HB2 LEU 77 56.820 13.292 25.728 602 HB3 LEU 77 HB3 LEU 77 56.966 13.515 23.985 603 HG LEU 77 HG LEU 77 58.016 11.037 25.351 604 HD11 LEU 77 HD11 LEU 77 55.672 11.100 25.925 605 HD12 LEU 77 HD12 LEU 77 55.857 9.970 24.583 606 HD13 LEU 77 HD13 LEU 77 55.233 11.593 24.289 607 HD21 LEU 77 HD21 LEU 77 57.275 11.832 22.527 608 HD22 LEU 77 HD22 LEU 77 57.528 10.151 22.998 609 HD23 LEU 77 HD23 LEU 77 58.850 11.312 23.127 610 HA PRO 78 HA PRO 78 60.018 17.278 23.578 611 HB2 PRO 78 HB2 PRO 78 59.056 17.480 20.991 612 HB3 PRO 78 HB3 PRO 78 60.671 16.880 21.414 613 HG2 PRO 78 HG2 PRO 78 58.204 15.359 20.750 614 HG3 PRO 78 HG3 PRO 78 59.886 15.053 20.273 615 HD2 PRO 78 HD2 PRO 78 58.717 13.638 22.255 616 HD3 PRO 78 HD3 PRO 78 60.439 14.074 22.310 617 H LEU 79 H LEU 79 58.772 18.865 24.390 618 HA LEU 79 HA LEU 79 55.867 18.840 23.846 619 HB2 LEU 79 HB2 LEU 79 56.640 18.916 26.222 620 HB3 LEU 79 HB3 LEU 79 57.405 20.468 25.881 621 HG LEU 79 HG LEU 79 55.120 21.265 25.064 622 HD11 LEU 79 HD11 LEU 79 54.392 18.620 26.331 623 HD12 LEU 79 HD12 LEU 79 53.947 19.221 24.734 624 HD13 LEU 79 HD13 LEU 79 53.226 19.933 26.177 625 HD21 LEU 79 HD21 LEU 79 56.254 21.568 27.418 626 HD22 LEU 79 HD22 LEU 79 54.992 20.461 27.958 627 HD23 LEU 79 HD23 LEU 79 54.557 21.999 27.212 628 H PHE 80 H PHE 80 55.041 20.257 22.441 629 HA PHE 80 HA PHE 80 56.683 22.456 21.415 630 HB2 PHE 80 HB2 PHE 80 53.950 21.418 20.650 631 HB3 PHE 80 HB3 PHE 80 54.713 22.798 19.899 632 HD1 PHE 80 HD1 PHE 80 54.155 19.322 19.719 633 HD2 PHE 80 HD2 PHE 80 57.107 22.318 18.840 634 HE1 PHE 80 HE1 PHE 80 55.187 17.814 18.046 635 HE2 PHE 80 HE2 PHE 80 58.144 20.802 17.168 636 HZ PHE 80 HZ PHE 80 57.170 18.557 16.761 637 H VAL 81 H VAL 81 56.483 24.466 22.255 638 HA VAL 81 HA VAL 81 53.938 25.195 23.584 639 HB VAL 81 HB VAL 81 55.215 26.760 24.950 640 HG11 VAL 81 HG11 VAL 81 56.615 24.086 25.036 641 HG12 VAL 81 HG12 VAL 81 54.934 24.283 25.533 642 HG13 VAL 81 HG13 VAL 81 56.213 25.149 26.384 643 HG21 VAL 81 HG21 VAL 81 57.076 27.512 23.816 644 HG22 VAL 81 HG22 VAL 81 57.421 25.936 23.108 645 HG23 VAL 81 HG23 VAL 81 57.849 26.259 24.787 646 HA PRO 82 HA PRO 82 53.617 28.175 20.346 647 HB2 PRO 82 HB2 PRO 82 51.739 29.864 21.301 648 HB3 PRO 82 HB3 PRO 82 51.364 28.189 20.847 649 HG2 PRO 82 HG2 PRO 82 51.725 29.383 23.534 650 HG3 PRO 82 HG3 PRO 82 50.630 28.097 23.001 651 HD2 PRO 82 HD2 PRO 82 53.048 27.691 24.335 652 HD3 PRO 82 HD3 PRO 82 52.165 26.461 23.409 653 H SER 83 H SER 83 54.631 29.257 23.501 654 HA SER 83 HA SER 83 55.727 31.719 22.340 655 HB2 SER 83 HB2 SER 83 54.642 33.177 23.855 656 HB3 SER 83 HB3 SER 83 53.371 32.099 23.293 657 HG SER 83 HG SER 83 54.435 32.372 25.748 658 HA PRO 84 HA PRO 84 59.174 30.985 25.045 659 HB2 PRO 84 HB2 PRO 84 59.463 33.528 26.228 660 HB3 PRO 84 HB3 PRO 84 60.234 32.970 24.736 661 HG2 PRO 84 HG2 PRO 84 57.817 34.636 25.100 662 HG3 PRO 84 HG3 PRO 84 59.055 34.691 23.833 663 HD2 PRO 84 HD2 PRO 84 56.624 33.636 23.356 664 HD3 PRO 84 HD3 PRO 84 58.090 32.954 22.614 665 H ARG 85 H ARG 85 56.554 32.945 26.487 666 HA ARG 85 HA ARG 85 57.148 32.441 29.180 667 HB2 ARG 85 HB2 ARG 85 54.478 32.952 27.852 668 HB3 ARG 85 HB3 ARG 85 54.755 32.996 29.594 669 HG2 ARG 85 HG2 ARG 85 56.503 34.745 29.225 670 HG3 ARG 85 HG3 ARG 85 56.078 34.761 27.513 671 HD2 ARG 85 HD2 ARG 85 54.224 35.416 29.819 672 HD3 ARG 85 HD3 ARG 85 54.908 36.568 28.678 673 HE ARG 85 HE ARG 85 53.583 34.702 27.131 674 HH11 ARG 85 HH11 ARG 85 52.650 36.912 29.694 675 HH12 ARG 85 HH12 ARG 85 51.032 37.077 29.099 676 HH21 ARG 85 HH21 ARG 85 51.487 34.953 26.413 677 HH22 ARG 85 HH22 ARG 85 50.383 35.981 27.264 678 H VAL 86 H VAL 86 54.938 30.689 26.983 679 HA VAL 86 HA VAL 86 54.120 28.730 28.824 680 HB VAL 86 HB VAL 86 54.431 28.497 25.819 681 HG11 VAL 86 HG11 VAL 86 54.133 26.290 26.687 682 HG12 VAL 86 HG12 VAL 86 52.531 26.813 26.170 683 HG13 VAL 86 HG13 VAL 86 52.958 26.841 27.880 684 HG21 VAL 86 HG21 VAL 86 51.967 29.162 27.446 685 HG22 VAL 86 HG22 VAL 86 52.148 29.234 25.694 686 HG23 VAL 86 HG23 VAL 86 52.997 30.393 26.717 687 H ALA 87 H ALA 87 56.924 28.865 26.657 688 HA ALA 87 HA ALA 87 57.910 26.277 27.037 689 HB1 ALA 87 HB1 ALA 87 59.851 27.036 26.032 690 HB2 ALA 87 HB2 ALA 87 59.805 28.586 26.872 691 HB3 ALA 87 HB3 ALA 87 58.717 28.284 25.516 692 H GLU 88 H GLU 88 58.404 29.226 28.940 693 HA GLU 88 HA GLU 88 60.275 28.196 30.768 694 HB2 GLU 88 HB2 GLU 88 58.172 30.340 31.147 695 HB3 GLU 88 HB3 GLU 88 59.497 30.026 32.268 696 HG2 GLU 88 HG2 GLU 88 61.117 30.425 30.422 697 HG3 GLU 88 HG3 GLU 88 59.775 30.820 29.357 698 H MET 89 H MET 89 56.726 28.180 30.808 699 HA MET 89 HA MET 89 56.329 27.114 33.370 700 HB2 MET 89 HB2 MET 89 54.739 26.648 30.830 701 HB3 MET 89 HB3 MET 89 54.172 26.272 32.454 702 HG2 MET 89 HG2 MET 89 54.967 29.031 31.474 703 HG3 MET 89 HG3 MET 89 53.312 28.460 31.665 704 HE1 MET 89 HE1 MET 89 52.637 28.093 35.262 705 HE2 MET 89 HE2 MET 89 53.567 26.749 34.605 706 HE3 MET 89 HE3 MET 89 52.360 27.551 33.601 707 H ALA 90 H ALA 90 56.827 25.491 30.263 708 HA ALA 90 HA ALA 90 56.548 22.843 31.181 709 HB1 ALA 90 HB1 ALA 90 57.801 22.224 29.133 710 HB2 ALA 90 HB2 ALA 90 58.190 23.925 28.881 711 HB3 ALA 90 HB3 ALA 90 56.514 23.384 28.805 712 H ARG 91 H ARG 91 59.391 24.947 30.959 713 HA ARG 91 HA ARG 91 61.323 23.018 31.640 714 HB2 ARG 91 HB2 ARG 91 61.826 25.272 30.697 715 HB3 ARG 91 HB3 ARG 91 61.394 25.984 32.251 716 HG2 ARG 91 HG2 ARG 91 63.149 24.613 33.349 717 HG3 ARG 91 HG3 ARG 91 63.611 23.971 31.771 718 HD2 ARG 91 HD2 ARG 91 64.061 26.304 31.002 719 HD3 ARG 91 HD3 ARG 91 63.715 26.875 32.631 720 HE ARG 91 HE ARG 91 66.113 25.532 31.737 721 HH11 ARG 91 HH11 ARG 91 64.136 26.255 34.546 722 HH12 ARG 91 HH12 ARG 91 65.452 26.041 35.651 723 HH21 ARG 91 HH21 ARG 91 67.768 25.270 33.207 724 HH22 ARG 91 HH22 ARG 91 67.482 25.490 34.902 725 H GLU 92 H GLU 92 59.425 25.232 33.679 726 HA GLU 92 HA GLU 92 60.731 24.666 36.105 727 HB2 GLU 92 HB2 GLU 92 57.882 25.536 35.584 728 HB3 GLU 92 HB3 GLU 92 58.641 25.510 37.177 729 HG2 GLU 92 HG2 GLU 92 60.414 27.030 36.330 730 HG3 GLU 92 HG3 GLU 92 59.589 27.102 34.779 731 H LEU 93 H LEU 93 58.021 23.040 34.502 732 HA LEU 93 HA LEU 93 57.425 21.259 36.621 733 HB2 LEU 93 HB2 LEU 93 57.059 20.800 33.656 734 HB3 LEU 93 HB3 LEU 93 56.294 19.883 34.946 735 HG LEU 93 HG LEU 93 55.893 22.838 34.385 736 HD11 LEU 93 HD11 LEU 93 54.210 20.356 33.980 737 HD12 LEU 93 HD12 LEU 93 54.733 21.514 32.754 738 HD13 LEU 93 HD13 LEU 93 53.528 21.984 33.955 739 HD21 LEU 93 HD21 LEU 93 54.019 22.509 36.101 740 HD22 LEU 93 HD22 LEU 93 55.657 22.527 36.757 741 HD23 LEU 93 HD23 LEU 93 54.812 20.994 36.537 742 H GLY 94 H GLY 94 60.075 21.263 34.368 743 HA2 GLY 94 HA2 GLY 94 61.959 19.819 34.805 744 HA3 GLY 94 HA3 GLY 94 60.837 18.570 35.317 745 H ALA 95 H ALA 95 59.869 20.239 32.419 746 HA ALA 95 HA ALA 95 59.813 17.869 30.911 747 HB1 ALA 95 HB1 ALA 95 58.400 19.595 30.156 748 HB2 ALA 95 HB2 ALA 95 59.671 19.529 28.936 749 HB3 ALA 95 HB3 ALA 95 59.700 20.787 30.172 750 H GLN 96 H GLN 96 61.354 16.775 29.893 751 HA GLN 96 HA GLN 96 64.073 17.532 30.327 752 HB2 GLN 96 HB2 GLN 96 62.883 15.239 28.750 753 HB3 GLN 96 HB3 GLN 96 64.587 15.401 29.185 754 HG2 GLN 96 HG2 GLN 96 63.955 15.470 31.581 755 HG3 GLN 96 HG3 GLN 96 62.267 15.246 31.131 756 HE21 GLN 96 HE21 GLN 96 62.307 13.193 32.392 757 HE22 GLN 96 HE22 GLN 96 63.011 11.807 31.722 758 H ARG 97 H ARG 97 61.926 17.511 27.520 759 HA ARG 97 HA ARG 97 63.965 19.077 26.057 760 HB2 ARG 97 HB2 ARG 97 63.876 16.745 25.190 761 HB3 ARG 97 HB3 ARG 97 62.164 16.970 24.838 762 HG2 ARG 97 HG2 ARG 97 62.748 18.895 23.371 763 HG3 ARG 97 HG3 ARG 97 64.457 18.569 23.663 764 HD2 ARG 97 HD2 ARG 97 62.487 16.621 22.433 765 HD3 ARG 97 HD3 ARG 97 63.692 17.548 21.544 766 HE ARG 97 HE ARG 97 64.158 15.202 23.182 767 HH11 ARG 97 HH11 ARG 97 65.653 18.015 21.706 768 HH12 ARG 97 HH12 ARG 97 67.236 17.313 21.738 769 HH21 ARG 97 HH21 ARG 97 66.220 14.353 23.197 770 HH22 ARG 97 HH22 ARG 97 67.553 15.266 22.572 771 H VAL 98 H VAL 98 63.170 21.054 25.825 772 HA VAL 98 HA VAL 98 60.261 21.390 25.366 773 HB VAL 98 HB VAL 98 62.239 23.382 26.507 774 HG11 VAL 98 HG11 VAL 98 60.204 24.679 27.037 775 HG12 VAL 98 HG12 VAL 98 59.216 23.450 26.245 776 HG13 VAL 98 HG13 VAL 98 60.350 24.415 25.300 777 HG21 VAL 98 HG21 VAL 98 61.773 21.466 28.031 778 HG22 VAL 98 HG22 VAL 98 60.047 21.784 27.876 779 HG23 VAL 98 HG23 VAL 98 61.096 22.972 28.645 780 H ILE 99 H ILE 99 59.608 22.292 23.522 781 HA ILE 99 HA ILE 99 61.655 23.373 21.679 782 HB ILE 99 HB ILE 99 59.173 21.742 21.067 783 HG12 ILE 99 HG12 ILE 99 62.086 21.038 20.628 784 HG13 ILE 99 HG13 ILE 99 61.187 20.550 22.063 785 HG21 ILE 99 HG21 ILE 99 60.479 21.747 18.736 786 HG22 ILE 99 HG22 ILE 99 61.071 23.290 19.352 787 HG23 ILE 99 HG23 ILE 99 59.339 23.023 19.159 788 HD11 ILE 99 HD11 ILE 99 59.486 19.483 20.530 789 HD12 ILE 99 HD12 ILE 99 61.078 18.723 20.492 790 HD13 ILE 99 HD13 ILE 99 60.586 19.805 19.190 791 H ASP 100 H ASP 100 61.356 25.460 21.207 792 HA ASP 100 HA ASP 100 58.721 26.681 21.628 793 HB2 ASP 100 HB2 ASP 100 60.756 27.785 22.547 794 HB3 ASP 100 HB3 ASP 100 61.358 27.983 20.903 795 H CYS 101 H CYS 101 57.349 26.821 19.959 796 HA CYS 101 HA CYS 101 58.407 26.562 17.235 797 HB2 CYS 101 HB2 CYS 101 56.116 26.077 16.578 798 HB3 CYS 101 HB3 CYS 101 56.591 25.056 17.934 799 HG CYS 101 HG CYS 101 54.181 26.568 18.083 800 H ARG 102 H ARG 102 57.511 29.113 19.264 801 HA ARG 102 HA ARG 102 56.007 30.806 17.637 802 HB2 ARG 102 HB2 ARG 102 56.596 31.234 20.027 803 HB3 ARG 102 HB3 ARG 102 58.234 31.640 19.512 804 HG2 ARG 102 HG2 ARG 102 57.371 33.453 18.108 805 HG3 ARG 102 HG3 ARG 102 55.716 33.030 18.549 806 HD2 ARG 102 HD2 ARG 102 56.378 34.876 19.949 807 HD3 ARG 102 HD3 ARG 102 56.344 33.433 20.958 808 HE ARG 102 HE ARG 102 58.910 33.463 20.212 809 HH11 ARG 102 HH11 ARG 102 56.906 36.104 21.370 810 HH12 ARG 102 HH12 ARG 102 58.249 36.951 22.062 811 HH21 ARG 102 HH21 ARG 102 60.599 34.601 21.121 812 HH22 ARG 102 HH22 ARG 102 60.314 36.110 21.922 813 H GLY 103 H GLY 103 59.508 30.254 17.709 814 HA2 GLY 103 HA2 GLY 103 59.901 32.132 15.495 815 HA3 GLY 103 HA3 GLY 103 61.169 31.325 16.413 816 H ALA 104 H ALA 104 60.026 28.664 16.180 817 HA ALA 104 HA ALA 104 61.096 27.979 13.589 818 HB1 ALA 104 HB1 ALA 104 60.908 25.720 14.290 819 HB2 ALA 104 HB2 ALA 104 59.678 26.115 15.491 820 HB3 ALA 104 HB3 ALA 104 61.348 26.622 15.740 821 H SER 105 H SER 105 60.013 27.555 11.765 822 HA SER 105 HA SER 105 57.199 28.103 11.607 823 HB2 SER 105 HB2 SER 105 59.117 27.013 9.534 824 HB3 SER 105 HB3 SER 105 57.475 27.560 9.213 825 HG SER 105 HG SER 105 59.702 28.988 9.558 826 H ALA 106 H ALA 106 55.647 26.599 10.602 827 HA ALA 106 HA ALA 106 55.249 24.266 11.983 828 HB1 ALA 106 HB1 ALA 106 53.800 23.583 10.012 829 HB2 ALA 106 HB2 ALA 106 54.343 25.066 9.225 830 HB3 ALA 106 HB3 ALA 106 53.447 25.149 10.741 831 HA PRO 107 HA PRO 107 57.182 21.543 8.504 832 HB2 PRO 107 HB2 PRO 107 59.210 22.799 7.040 833 HB3 PRO 107 HB3 PRO 107 57.578 22.434 6.454 834 HG2 PRO 107 HG2 PRO 107 58.703 24.980 7.439 835 HG3 PRO 107 HG3 PRO 107 57.468 24.684 6.204 836 HD2 PRO 107 HD2 PRO 107 56.861 25.594 8.670 837 HD3 PRO 107 HD3 PRO 107 55.749 24.569 7.745 838 H ALA 108 H ALA 108 59.118 24.116 9.973 839 HA ALA 108 HA ALA 108 61.467 22.643 10.464 840 HB1 ALA 108 HB1 ALA 108 61.050 25.157 10.798 841 HB2 ALA 108 HB2 ALA 108 62.044 24.343 12.006 842 HB3 ALA 108 HB3 ALA 108 60.355 24.713 12.357 843 H LEU 109 H LEU 109 58.497 23.023 12.371 844 HA LEU 109 HA LEU 109 59.255 21.510 14.608 845 HB2 LEU 109 HB2 LEU 109 56.495 21.736 13.381 846 HB3 LEU 109 HB3 LEU 109 56.863 21.251 15.036 847 HG LEU 109 HG LEU 109 57.558 23.943 13.821 848 HD11 LEU 109 HD11 LEU 109 55.548 23.451 16.009 849 HD12 LEU 109 HD12 LEU 109 55.072 23.311 14.316 850 HD13 LEU 109 HD13 LEU 109 55.695 24.841 14.932 851 HD21 LEU 109 HD21 LEU 109 57.973 24.509 16.256 852 HD22 LEU 109 HD22 LEU 109 59.131 23.374 15.565 853 HD23 LEU 109 HD23 LEU 109 57.838 22.787 16.612 854 H LEU 110 H LEU 110 57.823 20.518 11.521 855 HA LEU 110 HA LEU 110 57.393 17.805 12.078 856 HB2 LEU 110 HB2 LEU 110 56.638 18.961 10.014 857 HB3 LEU 110 HB3 LEU 110 58.310 19.022 9.458 858 HG LEU 110 HG LEU 110 58.376 16.502 9.663 859 HD11 LEU 110 HD11 LEU 110 55.932 15.548 9.519 860 HD12 LEU 110 HD12 LEU 110 55.501 17.044 10.349 861 HD13 LEU 110 HD13 LEU 110 56.628 15.913 11.098 862 HD21 LEU 110 HD21 LEU 110 56.285 17.670 7.798 863 HD22 LEU 110 HD22 LEU 110 57.119 16.134 7.572 864 HD23 LEU 110 HD23 LEU 110 58.022 17.646 7.496 865 H ALA 111 H ALA 111 60.286 19.470 10.893 866 HA ALA 111 HA ALA 111 61.941 17.215 10.590 867 HB1 ALA 111 HB1 ALA 111 63.820 18.816 10.792 868 HB2 ALA 111 HB2 ALA 111 62.688 20.052 11.342 869 HB3 ALA 111 HB3 ALA 111 62.562 19.407 9.705 870 H ALA 112 H ALA 112 61.302 19.272 13.402 871 HA ALA 112 HA ALA 112 63.218 18.187 15.139 872 HB1 ALA 112 HB1 ALA 112 61.876 19.123 16.942 873 HB2 ALA 112 HB2 ALA 112 60.479 19.255 15.875 874 HB3 ALA 112 HB3 ALA 112 61.904 20.254 15.590 875 H LEU 113 H LEU 113 59.888 17.186 14.463 876 HA LEU 113 HA LEU 113 59.640 15.214 16.444 877 HB2 LEU 113 HB2 LEU 113 58.353 15.767 13.807 878 HB3 LEU 113 HB3 LEU 113 58.099 14.170 14.505 879 HG LEU 113 HG LEU 113 57.721 16.603 16.229 880 HD11 LEU 113 HD11 LEU 113 56.438 16.955 14.089 881 HD12 LEU 113 HD12 LEU 113 55.412 16.811 15.517 882 HD13 LEU 113 HD13 LEU 113 55.586 15.446 14.413 883 HD21 LEU 113 HD21 LEU 113 57.622 14.460 17.333 884 HD22 LEU 113 HD22 LEU 113 56.569 13.807 16.081 885 HD23 LEU 113 HD23 LEU 113 55.961 15.039 17.187 886 H THR 114 H THR 114 60.748 14.950 13.083 887 HA THR 114 HA THR 114 61.133 12.153 13.129 888 HB THR 114 HB THR 114 62.451 12.487 11.086 889 HG1 THR 114 HG1 THR 114 63.084 14.473 10.552 890 HG21 THR 114 HG21 THR 114 59.844 12.836 11.307 891 HG22 THR 114 HG22 THR 114 60.663 13.226 9.796 892 HG23 THR 114 HG23 THR 114 60.244 14.510 10.928 893 H SER 115 H SER 115 63.366 14.827 13.815 894 HA SER 115 HA SER 115 65.703 13.283 14.080 895 HB2 SER 115 HB2 SER 115 65.624 15.777 13.922 896 HB3 SER 115 HB3 SER 115 65.019 15.821 15.574 897 HG SER 115 HG SER 115 67.329 15.976 15.318 898 H ALA 116 H ALA 116 63.302 14.275 16.515 899 HA ALA 116 HA ALA 116 64.621 13.226 18.760 900 HB1 ALA 116 HB1 ALA 116 62.726 14.799 18.898 901 HB2 ALA 116 HB2 ALA 116 62.441 13.354 19.869 902 HB3 ALA 116 HB3 ALA 116 61.645 13.537 18.306 903 H ALA 117 H ALA 117 62.346 11.730 16.494 904 HA ALA 117 HA ALA 117 61.907 9.329 17.864 905 HB1 ALA 117 HB1 ALA 117 60.620 10.039 15.883 906 HB2 ALA 117 HB2 ALA 117 61.263 8.408 15.693 907 HB3 ALA 117 HB3 ALA 117 62.038 9.763 14.873 908 H LEU 118 H LEU 118 64.581 10.324 15.785 909 HA LEU 118 HA LEU 118 65.762 7.823 15.336 910 HB2 LEU 118 HB2 LEU 118 67.119 10.504 15.708 911 HB3 LEU 118 HB3 LEU 118 67.863 9.072 14.997 912 HG LEU 118 HG LEU 118 65.363 10.405 13.920 913 HD11 LEU 118 HD11 LEU 118 67.493 11.777 13.759 914 HD12 LEU 118 HD12 LEU 118 66.754 11.370 12.210 915 HD13 LEU 118 HD13 LEU 118 68.166 10.478 12.774 916 HD21 LEU 118 HD21 LEU 118 65.361 8.137 13.231 917 HD22 LEU 118 HD22 LEU 118 67.113 8.110 13.029 918 HD23 LEU 118 HD23 LEU 118 66.107 8.994 11.882 919 H GLU 119 H GLU 119 66.009 10.008 18.108 920 HA GLU 119 HA GLU 119 68.119 8.699 19.441 921 HB2 GLU 119 HB2 GLU 119 65.810 10.304 20.553 922 HB3 GLU 119 HB3 GLU 119 67.238 9.827 21.473 923 HG2 GLU 119 HG2 GLU 119 68.665 11.012 19.816 924 HG3 GLU 119 HG3 GLU 119 67.215 11.546 18.978 925 H HIS 120 H HIS 120 64.646 8.063 19.372 926 HA HIS 120 HA HIS 120 64.435 6.381 21.594 927 HB2 HIS 120 HB2 HIS 120 62.524 7.239 20.280 928 HB3 HIS 120 HB3 HIS 120 62.964 6.166 18.965 929 HD1 HIS 120 HD1 HIS 120 62.103 5.857 22.676 930 HD2 HIS 120 HD2 HIS 120 61.595 3.783 19.096 931 HE1 HIS 120 HE1 HIS 120 60.693 3.828 23.221 932 H HIS 121 H HIS 121 65.253 5.595 18.223 933 HA HIS 121 HA HIS 121 65.393 2.815 18.481 934 HB2 HIS 121 HB2 HIS 121 67.005 4.652 16.708 935 HB3 HIS 121 HB3 HIS 121 66.911 2.911 16.523 936 HD1 HIS 121 HD1 HIS 121 64.273 2.035 16.217 937 HD2 HIS 121 HD2 HIS 121 65.141 5.983 15.200 938 HE1 HIS 121 HE1 HIS 121 62.392 2.816 14.714 939 H HIS 122 H HIS 122 67.808 5.302 19.180 940 HA HIS 122 HA HIS 122 70.059 3.662 19.441 941 HB2 HIS 122 HB2 HIS 122 70.091 6.139 19.391 942 HB3 HIS 122 HB3 HIS 122 69.410 6.159 21.007 943 HD1 HIS 122 HD1 HIS 122 70.994 5.683 22.968 944 HD2 HIS 122 HD2 HIS 122 72.835 5.306 19.248 945 HE1 HIS 122 HE1 HIS 122 73.479 5.500 23.416 946 H HIS 123 H HIS 123 67.605 4.566 21.845 947 HA HIS 123 HA HIS 123 68.812 3.514 24.120 948 HB2 HIS 123 HB2 HIS 123 65.896 3.692 23.381 949 HB3 HIS 123 HB3 HIS 123 66.468 3.232 24.974 950 HD1 HIS 123 HD1 HIS 123 68.391 5.196 25.853 951 HD2 HIS 123 HD2 HIS 123 65.261 6.352 23.354 952 HE1 HIS 123 HE1 HIS 123 68.132 7.697 26.143 953 H HIS 124 H HIS 124 66.993 1.859 21.588 954 HA HIS 124 HA HIS 124 67.303 -0.693 23.043 955 HB2 HIS 124 HB2 HIS 124 65.567 0.029 20.680 956 HB3 HIS 124 HB3 HIS 124 65.651 -1.558 21.421 957 HD1 HIS 124 HD1 HIS 124 64.991 -1.503 24.123 958 HD2 HIS 124 HD2 HIS 124 63.587 1.613 21.736 959 HE1 HIS 124 HE1 HIS 124 63.078 -0.437 25.392 960 H HIS 125 H HIS 125 68.482 -2.346 22.225 961 HA HIS 125 HA HIS 125 69.759 -1.969 19.579 962 HB2 HIS 125 HB2 HIS 125 71.067 -3.084 22.063 963 HB3 HIS 125 HB3 HIS 125 71.811 -2.917 20.485 964 HD1 HIS 125 HD1 HIS 125 71.932 -0.296 19.617 965 HD2 HIS 125 HD2 HIS 125 71.485 -0.924 23.713 966 HE1 HIS 125 HE1 HIS 125 72.609 1.863 20.749 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 58.444 7.323 6.737 2 H2 MET 1 HT2 MET 1 58.870 8.964 6.840 3 H3 MET 1 HT3 MET 1 57.265 8.520 6.504 4 HA MET 1 HA MET 1 57.689 7.235 8.822 5 HB2 MET 1 HB2 MET 1 59.175 9.876 8.867 6 HB3 MET 1 HB3 MET 1 58.742 8.950 10.305 7 HG2 MET 1 HG2 MET 1 60.007 6.998 9.345 8 HG3 MET 1 HG3 MET 1 60.563 8.060 8.053 9 HE1 MET 1 HE1 MET 1 61.077 10.973 10.020 10 HE2 MET 1 HE2 MET 1 61.356 10.277 8.425 11 HE3 MET 1 HE3 MET 1 62.724 10.616 9.483 12 H ASP 2 H ASP 2 55.964 7.701 10.120 13 HA ASP 2 HA ASP 2 54.407 10.143 9.513 14 HB2 ASP 2 HB2 ASP 2 52.347 8.742 9.876 15 HB3 ASP 2 HB3 ASP 2 53.248 8.362 8.413 16 HA PRO 3 HA PRO 3 55.508 9.744 14.044 17 HB2 PRO 3 HB2 PRO 3 55.528 12.496 14.460 18 HB3 PRO 3 HB3 PRO 3 56.950 11.516 14.057 19 HG2 PRO 3 HG2 PRO 3 55.247 13.184 12.284 20 HG3 PRO 3 HG3 PRO 3 57.007 12.960 12.283 21 HD2 PRO 3 HD2 PRO 3 55.459 11.708 10.475 22 HD3 PRO 3 HD3 PRO 3 56.891 10.912 11.169 23 H LYS 4 H LYS 4 54.201 10.176 15.890 24 HA LYS 4 HA LYS 4 51.434 11.032 15.267 25 HB2 LYS 4 HB2 LYS 4 52.473 9.173 17.423 26 HB3 LYS 4 HB3 LYS 4 50.785 9.630 17.202 27 HG2 LYS 4 HG2 LYS 4 50.866 8.674 14.899 28 HG3 LYS 4 HG3 LYS 4 52.514 8.131 15.214 29 HD2 LYS 4 HD2 LYS 4 51.664 6.831 17.169 30 HD3 LYS 4 HD3 LYS 4 50.022 7.289 16.719 31 HE2 LYS 4 HE2 LYS 4 50.619 5.051 15.834 32 HE3 LYS 4 HE3 LYS 4 50.291 6.199 14.537 33 HZ1 LYS 4 HZ1 LYS 4 52.341 4.810 14.264 34 HZ2 LYS 4 HZ2 LYS 4 53.017 5.666 15.566 35 HZ3 LYS 4 HZ3 LYS 4 52.583 6.485 14.142 36 H VAL 5 H VAL 5 50.550 12.706 16.433 37 HA VAL 5 HA VAL 5 51.910 13.520 18.923 38 HB VAL 5 HB VAL 5 51.484 15.917 18.307 39 HG11 VAL 5 HG11 VAL 5 53.726 15.313 18.209 40 HG12 VAL 5 HG12 VAL 5 53.439 15.853 16.553 41 HG13 VAL 5 HG13 VAL 5 53.458 14.129 16.928 42 HG21 VAL 5 HG21 VAL 5 49.897 15.697 16.506 43 HG22 VAL 5 HG22 VAL 5 50.986 14.647 15.599 44 HG23 VAL 5 HG23 VAL 5 51.382 16.351 15.816 45 H LEU 6 H LEU 6 50.681 14.366 20.505 46 HA LEU 6 HA LEU 6 47.760 14.080 20.175 47 HB2 LEU 6 HB2 LEU 6 48.889 12.689 21.925 48 HB3 LEU 6 HB3 LEU 6 49.359 14.178 22.742 49 HG LEU 6 HG LEU 6 46.827 14.766 22.650 50 HD11 LEU 6 HD11 LEU 6 45.293 13.043 22.305 51 HD12 LEU 6 HD12 LEU 6 46.483 11.782 22.625 52 HD13 LEU 6 HD13 LEU 6 46.520 12.662 21.098 53 HD21 LEU 6 HD21 LEU 6 46.441 13.463 24.743 54 HD22 LEU 6 HD22 LEU 6 48.013 14.262 24.729 55 HD23 LEU 6 HD23 LEU 6 47.900 12.533 24.402 56 H ILE 7 H ILE 7 46.413 15.767 20.549 57 HA ILE 7 HA ILE 7 47.692 18.394 20.974 58 HB ILE 7 HB ILE 7 44.963 17.782 19.812 59 HG12 ILE 7 HG12 ILE 7 47.450 18.669 18.330 60 HG13 ILE 7 HG13 ILE 7 46.971 16.975 18.450 61 HG21 ILE 7 HG21 ILE 7 46.636 20.310 19.947 62 HG22 ILE 7 HG22 ILE 7 45.104 20.020 20.772 63 HG23 ILE 7 HG23 ILE 7 45.149 20.146 19.013 64 HD11 ILE 7 HD11 ILE 7 44.885 17.397 17.343 65 HD12 ILE 7 HD12 ILE 7 46.147 18.158 16.370 66 HD13 ILE 7 HD13 ILE 7 45.127 19.142 17.417 67 H MET 8 H MET 8 47.257 19.568 22.700 68 HA MET 8 HA MET 8 45.155 18.710 24.557 69 HB2 MET 8 HB2 MET 8 47.503 20.587 24.892 70 HB3 MET 8 HB3 MET 8 46.330 20.213 26.156 71 HG2 MET 8 HG2 MET 8 46.889 17.772 25.836 72 HG3 MET 8 HG3 MET 8 48.202 18.278 24.771 73 HE1 MET 8 HE1 MET 8 46.544 18.219 28.009 74 HE2 MET 8 HE2 MET 8 46.879 19.928 28.289 75 HE3 MET 8 HE3 MET 8 47.706 18.704 29.247 76 H ARG 9 H ARG 9 43.417 19.953 25.036 77 HA ARG 9 HA ARG 9 42.487 21.784 23.135 78 HB2 ARG 9 HB2 ARG 9 41.055 20.494 24.712 79 HB3 ARG 9 HB3 ARG 9 41.608 21.535 26.023 80 HG2 ARG 9 HG2 ARG 9 40.733 23.511 24.772 81 HG3 ARG 9 HG3 ARG 9 40.089 22.414 23.550 82 HD2 ARG 9 HD2 ARG 9 38.766 21.272 25.336 83 HD3 ARG 9 HD3 ARG 9 39.336 22.479 26.485 84 HE ARG 9 HE ARG 9 38.158 23.723 24.205 85 HH11 ARG 9 HH11 ARG 9 37.284 22.039 27.159 86 HH12 ARG 9 HH12 ARG 9 35.740 22.817 27.263 87 HH21 ARG 9 HH21 ARG 9 36.159 24.691 24.392 88 HH22 ARG 9 HH22 ARG 9 35.112 24.300 25.715 89 H GLY 10 H GLY 10 42.355 23.985 23.055 90 HA2 GLY 10 HA2 GLY 10 43.564 25.615 25.159 91 HA3 GLY 10 HA3 GLY 10 44.351 25.645 23.584 92 H GLU 11 H GLU 11 43.520 28.013 24.368 93 HA GLU 11 HA GLU 11 40.849 28.750 23.980 94 HB2 GLU 11 HB2 GLU 11 43.375 30.343 23.497 95 HB3 GLU 11 HB3 GLU 11 41.752 31.029 23.575 96 HG2 GLU 11 HG2 GLU 11 41.499 30.095 25.867 97 HG3 GLU 11 HG3 GLU 11 43.153 29.506 25.788 98 H GLY 12 H GLY 12 43.410 28.192 21.622 99 HA2 GLY 12 HA2 GLY 12 42.072 29.457 19.429 100 HA3 GLY 12 HA3 GLY 12 43.443 28.357 19.317 101 H GLY 13 H GLY 13 42.002 27.781 17.360 102 HA2 GLY 13 HA2 GLY 13 39.689 26.130 17.972 103 HA3 GLY 13 HA3 GLY 13 40.324 26.492 16.370 104 H ARG 14 H ARG 14 39.929 24.093 18.612 105 HA ARG 14 HA ARG 14 42.337 22.663 18.633 106 HB2 ARG 14 HB2 ARG 14 40.169 22.249 19.969 107 HB3 ARG 14 HB3 ARG 14 39.621 21.348 18.557 108 HG2 ARG 14 HG2 ARG 14 41.707 19.966 18.701 109 HG3 ARG 14 HG3 ARG 14 42.093 20.789 20.214 110 HD2 ARG 14 HD2 ARG 14 39.617 19.131 19.655 111 HD3 ARG 14 HD3 ARG 14 40.961 18.684 20.697 112 HE ARG 14 HE ARG 14 40.138 21.007 21.799 113 HH11 ARG 14 HH11 ARG 14 38.377 18.107 20.890 114 HH12 ARG 14 HH12 ARG 14 37.130 18.377 22.062 115 HH21 ARG 14 HH21 ARG 14 38.493 21.308 23.273 116 HH22 ARG 14 HH22 ARG 14 37.198 20.165 23.396 117 H GLU 15 H GLU 15 39.596 22.540 16.380 118 HA GLU 15 HA GLU 15 40.517 20.366 14.837 119 HB2 GLU 15 HB2 GLU 15 38.186 21.263 14.823 120 HB3 GLU 15 HB3 GLU 15 38.771 22.654 13.907 121 HG2 GLU 15 HG2 GLU 15 39.630 21.101 12.161 122 HG3 GLU 15 HG3 GLU 15 38.944 19.751 13.054 123 H PHE 16 H PHE 16 41.021 23.868 14.501 124 HA PHE 16 HA PHE 16 42.180 23.823 11.941 125 HB2 PHE 16 HB2 PHE 16 42.522 25.709 14.264 126 HB3 PHE 16 HB3 PHE 16 43.276 25.979 12.703 127 HD1 PHE 16 HD1 PHE 16 40.089 25.846 14.550 128 HD2 PHE 16 HD2 PHE 16 41.963 26.640 10.768 129 HE1 PHE 16 HE1 PHE 16 38.002 26.914 13.740 130 HE2 PHE 16 HE2 PHE 16 39.876 27.707 9.957 131 HZ PHE 16 HZ PHE 16 37.895 27.844 11.444 132 H LEU 17 H LEU 17 43.748 23.747 15.148 133 HA LEU 17 HA LEU 17 46.401 23.655 14.245 134 HB2 LEU 17 HB2 LEU 17 45.265 22.311 16.712 135 HB3 LEU 17 HB3 LEU 17 46.952 22.740 16.440 136 HG LEU 17 HG LEU 17 44.655 24.720 16.565 137 HD11 LEU 17 HD11 LEU 17 46.733 23.831 18.568 138 HD12 LEU 17 HD12 LEU 17 44.984 23.929 18.776 139 HD13 LEU 17 HD13 LEU 17 45.945 25.405 18.687 140 HD21 LEU 17 HD21 LEU 17 47.661 25.053 16.323 141 HD22 LEU 17 HD22 LEU 17 46.554 26.371 16.702 142 HD23 LEU 17 HD23 LEU 17 46.443 25.549 15.146 143 H ALA 18 H ALA 18 44.129 21.007 14.935 144 HA ALA 18 HA ALA 18 45.865 18.877 14.411 145 HB1 ALA 18 HB1 ALA 18 43.597 17.741 13.688 146 HB2 ALA 18 HB2 ALA 18 42.890 19.226 14.324 147 HB3 ALA 18 HB3 ALA 18 43.862 18.193 15.371 148 H GLU 19 H GLU 19 43.829 20.768 12.205 149 HA GLU 19 HA GLU 19 44.100 19.147 9.938 150 HB2 GLU 19 HB2 GLU 19 42.497 21.056 10.184 151 HB3 GLU 19 HB3 GLU 19 43.854 22.163 9.970 152 HG2 GLU 19 HG2 GLU 19 44.347 21.084 7.781 153 HG3 GLU 19 HG3 GLU 19 42.927 20.069 7.986 154 H ARG 20 H ARG 20 46.116 21.812 11.139 155 HA ARG 20 HA ARG 20 47.848 21.998 8.938 156 HB2 ARG 20 HB2 ARG 20 48.459 22.454 11.866 157 HB3 ARG 20 HB3 ARG 20 49.484 22.968 10.527 158 HG2 ARG 20 HG2 ARG 20 47.547 24.288 9.630 159 HG3 ARG 20 HG3 ARG 20 46.649 23.878 11.091 160 HD2 ARG 20 HD2 ARG 20 49.259 25.411 10.960 161 HD3 ARG 20 HD3 ARG 20 47.679 26.072 11.363 162 HE ARG 20 HE ARG 20 47.988 24.129 13.221 163 HH11 ARG 20 HH11 ARG 20 50.092 26.760 12.232 164 HH12 ARG 20 HH12 ARG 20 50.871 26.850 13.776 165 HH21 ARG 20 HH21 ARG 20 49.037 24.285 15.184 166 HH22 ARG 20 HH22 ARG 20 50.278 25.468 15.426 167 H LEU 21 H LEU 21 48.223 20.061 11.926 168 HA LEU 21 HA LEU 21 50.715 18.955 11.209 169 HB2 LEU 21 HB2 LEU 21 48.564 17.961 13.079 170 HB3 LEU 21 HB3 LEU 21 50.129 17.167 12.899 171 HG LEU 21 HG LEU 21 49.847 20.107 13.562 172 HD11 LEU 21 HD11 LEU 21 50.638 19.135 15.894 173 HD12 LEU 21 HD12 LEU 21 49.832 17.675 15.321 174 HD13 LEU 21 HD13 LEU 21 48.924 19.177 15.483 175 HD21 LEU 21 HD21 LEU 21 52.093 18.120 13.365 176 HD22 LEU 21 HD22 LEU 21 52.231 19.441 14.524 177 HD23 LEU 21 HD23 LEU 21 52.030 19.792 12.808 178 H ARG 22 H ARG 22 47.412 17.855 10.547 179 HA ARG 22 HA ARG 22 48.106 15.343 9.450 180 HB2 ARG 22 HB2 ARG 22 45.735 17.137 8.895 181 HB3 ARG 22 HB3 ARG 22 45.885 15.479 8.312 182 HG2 ARG 22 HG2 ARG 22 46.110 14.690 10.652 183 HG3 ARG 22 HG3 ARG 22 45.899 16.347 11.216 184 HD2 ARG 22 HD2 ARG 22 43.751 15.267 11.357 185 HD3 ARG 22 HD3 ARG 22 43.689 16.394 10.005 186 HE ARG 22 HE ARG 22 44.423 14.123 8.773 187 HH11 ARG 22 HH11 ARG 22 41.871 14.695 11.116 188 HH12 ARG 22 HH12 ARG 22 40.876 13.423 10.491 189 HH21 ARG 22 HH21 ARG 22 43.098 12.499 8.013 190 HH22 ARG 22 HH22 ARG 22 41.563 12.196 8.756 191 H GLY 23 H GLY 23 47.748 18.543 7.949 192 HA2 GLY 23 HA2 GLY 23 47.982 17.754 5.272 193 HA3 GLY 23 HA3 GLY 23 48.415 19.339 5.898 194 H GLN 24 H GLN 24 50.465 18.276 7.719 195 HA GLN 24 HA GLN 24 52.604 18.029 5.768 196 HB2 GLN 24 HB2 GLN 24 52.646 18.284 8.773 197 HB3 GLN 24 HB3 GLN 24 54.090 18.215 7.760 198 HG2 GLN 24 HG2 GLN 24 53.357 20.203 6.533 199 HG3 GLN 24 HG3 GLN 24 51.873 20.262 7.479 200 HE21 GLN 24 HE21 GLN 24 53.787 22.424 7.422 201 HE22 GLN 24 HE22 GLN 24 54.446 22.571 8.978 202 H GLY 25 H GLY 25 50.674 15.674 6.908 203 HA2 GLY 25 HA2 GLY 25 51.011 13.397 6.482 204 HA3 GLY 25 HA3 GLY 25 52.741 13.684 6.416 205 H VAL 26 H VAL 26 51.175 15.012 9.196 206 HA VAL 26 HA VAL 26 52.296 12.847 10.846 207 HB VAL 26 HB VAL 26 51.325 15.596 11.676 208 HG11 VAL 26 HG11 VAL 26 53.026 13.580 13.172 209 HG12 VAL 26 HG12 VAL 26 51.293 13.789 13.428 210 HG13 VAL 26 HG13 VAL 26 52.404 15.110 13.791 211 HG21 VAL 26 HG21 VAL 26 54.066 14.511 10.994 212 HG22 VAL 26 HG22 VAL 26 53.849 15.949 11.992 213 HG23 VAL 26 HG23 VAL 26 53.266 15.934 10.328 214 H GLN 27 H GLN 27 51.036 11.625 12.180 215 HA GLN 27 HA GLN 27 48.181 11.602 11.695 216 HB2 GLN 27 HB2 GLN 27 49.854 9.998 13.641 217 HB3 GLN 27 HB3 GLN 27 48.174 9.675 13.221 218 HG2 GLN 27 HG2 GLN 27 48.884 9.399 10.833 219 HG3 GLN 27 HG3 GLN 27 50.561 9.558 11.358 220 HE21 GLN 27 HE21 GLN 27 51.556 7.730 12.371 221 HE22 GLN 27 HE22 GLN 27 50.752 6.252 12.590 222 H VAL 28 H VAL 28 46.601 12.355 13.057 223 HA VAL 28 HA VAL 28 47.554 13.862 15.431 224 HB VAL 28 HB VAL 28 45.334 14.609 13.513 225 HG11 VAL 28 HG11 VAL 28 45.657 16.834 14.815 226 HG12 VAL 28 HG12 VAL 28 46.419 15.830 16.046 227 HG13 VAL 28 HG13 VAL 28 44.739 15.545 15.592 228 HG21 VAL 28 HG21 VAL 28 48.175 15.590 13.873 229 HG22 VAL 28 HG22 VAL 28 46.941 16.540 13.045 230 HG23 VAL 28 HG23 VAL 28 47.424 14.970 12.402 231 H ASP 29 H ASP 29 46.684 13.351 17.289 232 HA ASP 29 HA ASP 29 43.876 12.422 17.356 233 HB2 ASP 29 HB2 ASP 29 45.457 10.549 17.851 234 HB3 ASP 29 HB3 ASP 29 46.088 11.488 19.203 235 H TYR 30 H TYR 30 42.632 13.801 18.505 236 HA TYR 30 HA TYR 30 44.003 15.719 20.297 237 HB2 TYR 30 HB2 TYR 30 42.219 17.247 19.847 238 HB3 TYR 30 HB3 TYR 30 42.864 16.664 18.329 239 HD1 TYR 30 HD1 TYR 30 39.918 17.084 20.348 240 HD2 TYR 30 HD2 TYR 30 41.596 14.797 17.121 241 HE1 TYR 30 HE1 TYR 30 37.640 16.404 19.646 242 HE2 TYR 30 HE2 TYR 30 39.315 14.117 16.419 243 HH TYR 30 HH TYR 30 37.134 14.090 17.104 244 H LEU 31 H LEU 31 43.515 15.786 22.400 245 HA LEU 31 HA LEU 31 41.359 14.005 23.378 246 HB2 LEU 31 HB2 LEU 31 43.676 13.179 23.766 247 HB3 LEU 31 HB3 LEU 31 43.992 14.632 24.712 248 HG LEU 31 HG LEU 31 41.769 13.859 25.983 249 HD11 LEU 31 HD11 LEU 31 41.141 11.928 24.814 250 HD12 LEU 31 HD12 LEU 31 42.040 11.268 26.181 251 HD13 LEU 31 HD13 LEU 31 42.810 11.400 24.600 252 HD21 LEU 31 HD21 LEU 31 44.401 12.439 26.474 253 HD22 LEU 31 HD22 LEU 31 43.167 12.846 27.666 254 HD23 LEU 31 HD23 LEU 31 44.112 14.125 26.905 255 HA PRO 32 HA PRO 32 40.066 18.052 25.237 256 HB2 PRO 32 HB2 PRO 32 38.099 16.211 26.519 257 HB3 PRO 32 HB3 PRO 32 37.834 17.782 25.738 258 HG2 PRO 32 HG2 PRO 32 37.162 15.508 24.540 259 HG3 PRO 32 HG3 PRO 32 37.806 16.887 23.629 260 HD2 PRO 32 HD2 PRO 32 39.154 14.328 24.357 261 HD3 PRO 32 HD3 PRO 32 39.388 15.365 22.934 262 H LEU 33 H LEU 33 40.766 18.898 27.121 263 HA LEU 33 HA LEU 33 42.425 17.449 28.852 264 HB2 LEU 33 HB2 LEU 33 41.030 20.083 29.371 265 HB3 LEU 33 HB3 LEU 33 42.433 19.467 30.242 266 HG LEU 33 HG LEU 33 42.376 19.987 27.259 267 HD11 LEU 33 HD11 LEU 33 42.671 22.164 27.720 268 HD12 LEU 33 HD12 LEU 33 44.191 21.781 28.516 269 HD13 LEU 33 HD13 LEU 33 42.701 21.871 29.451 270 HD21 LEU 33 HD21 LEU 33 43.999 18.316 27.771 271 HD22 LEU 33 HD22 LEU 33 44.525 19.172 29.223 272 HD23 LEU 33 HD23 LEU 33 44.895 19.827 27.629 273 H ASP 34 H ASP 34 39.022 17.411 28.832 274 HA ASP 34 HA ASP 34 38.625 17.311 31.675 275 HB2 ASP 34 HB2 ASP 34 36.810 16.602 29.371 276 HB3 ASP 34 HB3 ASP 34 36.311 16.647 31.059 277 H TYR 35 H TYR 35 39.896 14.967 29.575 278 HA TYR 35 HA TYR 35 38.546 12.668 30.583 279 HB2 TYR 35 HB2 TYR 35 40.956 13.169 28.925 280 HB3 TYR 35 HB3 TYR 35 40.847 11.607 29.714 281 HD1 TYR 35 HD1 TYR 35 38.528 10.370 29.444 282 HD2 TYR 35 HD2 TYR 35 39.962 13.467 26.837 283 HE1 TYR 35 HE1 TYR 35 37.003 9.572 27.661 284 HE2 TYR 35 HE2 TYR 35 38.434 12.666 25.053 285 HH TYR 35 HH TYR 35 36.520 9.786 25.452 286 HA PRO 36 HA PRO 36 40.518 12.303 34.472 287 HB2 PRO 36 HB2 PRO 36 40.332 9.660 35.032 288 HB3 PRO 36 HB3 PRO 36 38.911 10.722 34.961 289 HG2 PRO 36 HG2 PRO 36 39.933 8.798 32.937 290 HG3 PRO 36 HG3 PRO 36 38.264 9.154 33.418 291 HD2 PRO 36 HD2 PRO 36 39.441 10.182 31.153 292 HD3 PRO 36 HD3 PRO 36 38.098 10.963 32.011 293 H ALA 37 H ALA 37 42.384 11.759 35.594 294 HA ALA 37 HA ALA 37 44.761 11.563 34.185 295 HB1 ALA 37 HB1 ALA 37 44.520 12.338 36.545 296 HB2 ALA 37 HB2 ALA 37 45.839 11.190 36.317 297 HB3 ALA 37 HB3 ALA 37 44.319 10.656 37.036 298 H GLY 38 H GLY 38 46.333 9.913 34.007 299 HA2 GLY 38 HA2 GLY 38 47.063 7.665 34.026 300 HA3 GLY 38 HA3 GLY 38 45.409 7.151 34.331 301 H GLU 39 H GLU 39 44.177 8.697 32.191 302 HA GLU 39 HA GLU 39 44.460 6.777 30.124 303 HB2 GLU 39 HB2 GLU 39 43.141 9.497 30.106 304 HB3 GLU 39 HB3 GLU 39 43.016 8.321 28.796 305 HG2 GLU 39 HG2 GLU 39 42.114 6.661 30.427 306 HG3 GLU 39 HG3 GLU 39 42.139 7.907 31.667 307 H LEU 40 H LEU 40 45.852 9.987 30.598 308 HA LEU 40 HA LEU 40 46.799 10.426 27.987 309 HB2 LEU 40 HB2 LEU 40 46.756 12.136 29.794 310 HB3 LEU 40 HB3 LEU 40 48.075 11.285 30.597 311 HG LEU 40 HG LEU 40 49.387 11.551 28.413 312 HD11 LEU 40 HD11 LEU 40 47.635 12.079 26.871 313 HD12 LEU 40 HD12 LEU 40 48.578 13.557 27.065 314 HD13 LEU 40 HD13 LEU 40 47.033 13.381 27.898 315 HD21 LEU 40 HD21 LEU 40 50.282 13.563 29.163 316 HD22 LEU 40 HD22 LEU 40 49.422 13.029 30.605 317 HD23 LEU 40 HD23 LEU 40 48.703 14.245 29.550 318 H LEU 41 H LEU 41 48.327 8.845 30.784 319 HA LEU 41 HA LEU 41 50.842 8.430 29.564 320 HB2 LEU 41 HB2 LEU 41 50.392 8.284 32.016 321 HB3 LEU 41 HB3 LEU 41 49.548 6.763 31.734 322 HG LEU 41 HG LEU 41 51.728 5.988 30.573 323 HD11 LEU 41 HD11 LEU 41 52.754 8.355 32.167 324 HD12 LEU 41 HD12 LEU 41 52.755 8.221 30.409 325 HD13 LEU 41 HD13 LEU 41 53.759 7.141 31.376 326 HD21 LEU 41 HD21 LEU 41 51.318 6.440 33.516 327 HD22 LEU 41 HD22 LEU 41 52.805 5.685 32.943 328 HD23 LEU 41 HD23 LEU 41 51.247 4.932 32.605 329 H ALA 42 H ALA 42 47.971 6.336 29.806 330 HA ALA 42 HA ALA 42 49.190 4.039 28.719 331 HB1 ALA 42 HB1 ALA 42 46.331 4.952 28.947 332 HB2 ALA 42 HB2 ALA 42 47.150 3.657 29.820 333 HB3 ALA 42 HB3 ALA 42 46.739 3.450 28.117 334 H ARG 43 H ARG 43 47.333 6.639 27.158 335 HA ARG 43 HA ARG 43 47.360 5.512 24.568 336 HB2 ARG 43 HB2 ARG 43 47.185 8.409 25.424 337 HB3 ARG 43 HB3 ARG 43 46.869 7.820 23.791 338 HG2 ARG 43 HG2 ARG 43 45.110 6.309 24.722 339 HG3 ARG 43 HG3 ARG 43 45.369 7.039 26.307 340 HD2 ARG 43 HD2 ARG 43 44.859 9.279 25.266 341 HD3 ARG 43 HD3 ARG 43 44.403 8.422 23.796 342 HE ARG 43 HE ARG 43 43.073 7.591 26.262 343 HH11 ARG 43 HH11 ARG 43 42.855 9.487 23.311 344 HH12 ARG 43 HH12 ARG 43 41.127 9.565 23.376 345 HH21 ARG 43 HH21 ARG 43 40.850 7.732 26.287 346 HH22 ARG 43 HH22 ARG 43 40.008 8.586 25.038 347 H VAL 44 H VAL 44 49.662 7.658 26.218 348 HA VAL 44 HA VAL 44 51.235 8.250 23.956 349 HB VAL 44 HB VAL 44 52.009 8.116 26.882 350 HG11 VAL 44 HG11 VAL 44 53.974 8.060 25.324 351 HG12 VAL 44 HG12 VAL 44 53.903 9.530 26.297 352 HG13 VAL 44 HG13 VAL 44 53.399 9.566 24.608 353 HG21 VAL 44 HG21 VAL 44 51.511 10.635 25.324 354 HG22 VAL 44 HG22 VAL 44 51.334 10.335 27.052 355 HG23 VAL 44 HG23 VAL 44 50.132 9.718 25.922 356 H ARG 45 H ARG 45 51.479 5.622 26.351 357 HA ARG 45 HA ARG 45 53.905 4.576 25.288 358 HB2 ARG 45 HB2 ARG 45 51.799 3.300 27.040 359 HB3 ARG 45 HB3 ARG 45 53.371 2.584 26.681 360 HG2 ARG 45 HG2 ARG 45 54.470 4.624 27.611 361 HG3 ARG 45 HG3 ARG 45 52.879 5.235 28.068 362 HD2 ARG 45 HD2 ARG 45 52.534 3.129 29.401 363 HD3 ARG 45 HD3 ARG 45 54.208 2.703 29.062 364 HE ARG 45 HE ARG 45 53.765 5.322 30.272 365 HH11 ARG 45 HH11 ARG 45 54.609 1.957 30.816 366 HH12 ARG 45 HH12 ARG 45 55.362 2.290 32.339 367 HH21 ARG 45 HH21 ARG 45 54.750 5.687 32.239 368 HH22 ARG 45 HH22 ARG 45 55.441 4.374 33.134 369 H ALA 46 H ALA 46 50.500 3.586 24.867 370 HA ALA 46 HA ALA 46 51.118 1.269 23.350 371 HB1 ALA 46 HB1 ALA 46 48.930 1.943 24.608 372 HB2 ALA 46 HB2 ALA 46 48.821 0.986 23.131 373 HB3 ALA 46 HB3 ALA 46 48.508 2.721 23.083 374 H GLU 47 H GLU 47 50.112 4.554 22.389 375 HA GLU 47 HA GLU 47 50.207 3.900 19.584 376 HB2 GLU 47 HB2 GLU 47 49.957 6.551 21.011 377 HB3 GLU 47 HB3 GLU 47 49.790 6.322 19.270 378 HG2 GLU 47 HG2 GLU 47 47.947 4.704 19.689 379 HG3 GLU 47 HG3 GLU 47 48.080 5.029 21.411 380 H ARG 48 H ARG 48 52.663 4.659 21.824 381 HA ARG 48 HA ARG 48 54.855 5.304 21.600 382 HB2 ARG 48 HB2 ARG 48 54.740 3.337 20.015 383 HB3 ARG 48 HB3 ARG 48 54.524 4.496 18.704 384 HG2 ARG 48 HG2 ARG 48 56.666 5.599 19.383 385 HG3 ARG 48 HG3 ARG 48 56.892 4.334 20.590 386 HD2 ARG 48 HD2 ARG 48 56.623 3.873 17.607 387 HD3 ARG 48 HD3 ARG 48 58.134 3.836 18.511 388 HE ARG 48 HE ARG 48 56.104 2.038 19.525 389 HH11 ARG 48 HH11 ARG 48 58.777 2.354 17.272 390 HH12 ARG 48 HH12 ARG 48 59.056 0.646 17.208 391 HH21 ARG 48 HH21 ARG 48 56.510 -0.151 19.403 392 HH22 ARG 48 HH22 ARG 48 57.788 -0.754 18.401 393 H LEU 49 H LEU 49 53.421 7.452 21.740 394 HA LEU 49 HA LEU 49 53.311 9.090 19.404 395 HB2 LEU 49 HB2 LEU 49 53.124 9.830 22.333 396 HB3 LEU 49 HB3 LEU 49 52.788 10.930 20.998 397 HG LEU 49 HG LEU 49 51.344 8.298 21.433 398 HD11 LEU 49 HD11 LEU 49 50.214 11.062 21.874 399 HD12 LEU 49 HD12 LEU 49 51.017 10.188 23.178 400 HD13 LEU 49 HD13 LEU 49 49.572 9.515 22.425 401 HD21 LEU 49 HD21 LEU 49 49.708 9.644 19.862 402 HD22 LEU 49 HD22 LEU 49 51.100 8.820 19.162 403 HD23 LEU 49 HD23 LEU 49 51.161 10.558 19.454 404 H ASN 50 H ASN 50 54.544 10.811 18.784 405 HA ASN 50 HA ASN 50 57.342 10.695 19.623 406 HB2 ASN 50 HB2 ASN 50 55.966 12.109 17.330 407 HB3 ASN 50 HB3 ASN 50 57.695 12.183 17.651 408 HD21 ASN 50 HD21 ASN 50 58.969 10.494 16.836 409 HD22 ASN 50 HD22 ASN 50 58.338 9.092 16.123 410 H GLY 51 H GLY 51 54.615 12.977 19.460 411 HA2 GLY 51 HA2 GLY 51 56.104 14.786 21.237 412 HA3 GLY 51 HA3 GLY 51 55.643 15.419 19.667 413 H LEU 52 H LEU 52 54.904 16.558 22.050 414 HA LEU 52 HA LEU 52 51.961 16.206 22.011 415 HB2 LEU 52 HB2 LEU 52 53.648 17.021 24.393 416 HB3 LEU 52 HB3 LEU 52 51.898 16.819 24.372 417 HG LEU 52 HG LEU 52 53.893 14.610 23.789 418 HD11 LEU 52 HD11 LEU 52 53.114 13.728 26.003 419 HD12 LEU 52 HD12 LEU 52 52.252 15.245 26.259 420 HD13 LEU 52 HD13 LEU 52 54.011 15.241 26.137 421 HD21 LEU 52 HD21 LEU 52 51.785 14.217 22.661 422 HD22 LEU 52 HD22 LEU 52 50.878 14.674 24.103 423 HD23 LEU 52 HD23 LEU 52 51.826 13.187 24.092 424 H VAL 53 H VAL 53 50.740 18.118 21.963 425 HA VAL 53 HA VAL 53 52.300 20.626 21.642 426 HB VAL 53 HB VAL 53 49.726 19.853 20.240 427 HG11 VAL 53 HG11 VAL 53 51.549 22.264 20.037 428 HG12 VAL 53 HG12 VAL 53 49.851 22.245 20.510 429 HG13 VAL 53 HG13 VAL 53 50.306 21.881 18.846 430 HG21 VAL 53 HG21 VAL 53 51.979 18.684 19.556 431 HG22 VAL 53 HG22 VAL 53 52.383 20.263 18.888 432 HG23 VAL 53 HG23 VAL 53 50.966 19.397 18.305 433 H VAL 54 H VAL 54 51.802 22.220 23.029 434 HA VAL 54 HA VAL 54 49.053 22.317 24.134 435 HB VAL 54 HB VAL 54 50.055 23.526 26.102 436 HG11 VAL 54 HG11 VAL 54 51.069 21.276 27.015 437 HG12 VAL 54 HG12 VAL 54 50.467 20.628 25.488 438 HG13 VAL 54 HG13 VAL 54 49.355 21.397 26.621 439 HG21 VAL 54 HG21 VAL 54 52.300 23.830 24.793 440 HG22 VAL 54 HG22 VAL 54 52.657 22.203 25.376 441 HG23 VAL 54 HG23 VAL 54 52.352 23.506 26.527 442 H SER 55 H SER 55 48.030 24.244 24.127 443 HA SER 55 HA SER 55 49.292 26.368 22.550 444 HB2 SER 55 HB2 SER 55 46.425 25.867 23.347 445 HB3 SER 55 HB3 SER 55 46.963 27.288 22.459 446 HG SER 55 HG SER 55 47.444 26.005 20.800 447 H SER 56 H SER 56 48.694 25.707 25.874 448 HA SER 56 HA SER 56 49.292 28.451 26.583 449 HB2 SER 56 HB2 SER 56 47.265 28.929 27.783 450 HB3 SER 56 HB3 SER 56 46.825 28.470 26.141 451 HG SER 56 HG SER 56 46.446 26.391 27.000 452 H GLY 57 H GLY 57 49.510 28.767 28.912 453 HA2 GLY 57 HA2 GLY 57 50.926 26.756 30.232 454 HA3 GLY 57 HA3 GLY 57 50.185 28.142 31.025 455 H GLN 58 H GLN 58 47.462 27.523 30.297 456 HA GLN 58 HA GLN 58 46.721 25.916 32.476 457 HB2 GLN 58 HB2 GLN 58 45.172 26.633 29.976 458 HB3 GLN 58 HB3 GLN 58 44.465 25.896 31.415 459 HG2 GLN 58 HG2 GLN 58 45.156 27.806 32.774 460 HG3 GLN 58 HG3 GLN 58 45.959 28.533 31.385 461 HE21 GLN 58 HE21 GLN 58 43.869 29.900 32.781 462 HE22 GLN 58 HE22 GLN 58 42.529 30.025 31.746 463 H GLY 59 H GLY 59 46.932 25.121 29.003 464 HA2 GLY 59 HA2 GLY 59 46.082 22.453 29.170 465 HA3 GLY 59 HA3 GLY 59 47.153 23.099 27.929 466 H LEU 60 H LEU 60 49.311 23.889 29.488 467 HA LEU 60 HA LEU 60 50.821 21.549 29.677 468 HB2 LEU 60 HB2 LEU 60 51.726 23.858 29.462 469 HB3 LEU 60 HB3 LEU 60 51.281 24.159 31.141 470 HG LEU 60 HG LEU 60 52.696 22.095 31.727 471 HD11 LEU 60 HD11 LEU 60 52.874 21.157 29.476 472 HD12 LEU 60 HD12 LEU 60 54.481 21.591 30.060 473 HD13 LEU 60 HD13 LEU 60 53.654 22.631 28.901 474 HD21 LEU 60 HD21 LEU 60 53.307 24.632 31.870 475 HD22 LEU 60 HD22 LEU 60 54.346 24.287 30.487 476 HD23 LEU 60 HD23 LEU 60 54.599 23.440 32.013 477 H GLN 61 H GLN 61 49.183 23.406 32.219 478 HA GLN 61 HA GLN 61 50.095 21.880 34.409 479 HB2 GLN 61 HB2 GLN 61 47.541 23.471 34.084 480 HB3 GLN 61 HB3 GLN 61 48.138 22.835 35.616 481 HG2 GLN 61 HG2 GLN 61 49.612 24.790 33.827 482 HG3 GLN 61 HG3 GLN 61 48.782 25.200 35.325 483 HE21 GLN 61 HE21 GLN 61 51.827 24.861 34.265 484 HE22 GLN 61 HE22 GLN 61 52.565 24.170 35.628 485 H ASN 62 H ASN 62 47.171 21.586 32.415 486 HA ASN 62 HA ASN 62 45.989 19.434 33.770 487 HB2 ASN 62 HB2 ASN 62 45.919 20.098 30.818 488 HB3 ASN 62 HB3 ASN 62 44.825 18.982 31.635 489 HD21 ASN 62 HD21 ASN 62 44.665 21.934 30.399 490 HD22 ASN 62 HD22 ASN 62 43.711 22.731 31.552 491 H LEU 63 H LEU 63 48.456 19.490 31.235 492 HA LEU 63 HA LEU 63 48.603 16.756 30.663 493 HB2 LEU 63 HB2 LEU 63 49.795 18.585 29.431 494 HB3 LEU 63 HB3 LEU 63 50.916 18.709 30.784 495 HG LEU 63 HG LEU 63 51.248 16.138 30.420 496 HD11 LEU 63 HD11 LEU 63 50.392 16.949 27.634 497 HD12 LEU 63 HD12 LEU 63 49.329 16.082 28.743 498 HD13 LEU 63 HD13 LEU 63 50.835 15.341 28.200 499 HD21 LEU 63 HD21 LEU 63 52.891 16.730 28.498 500 HD22 LEU 63 HD22 LEU 63 53.100 17.552 30.044 501 HD23 LEU 63 HD23 LEU 63 52.307 18.381 28.704 502 H TYR 64 H TYR 64 50.247 18.684 33.135 503 HA TYR 64 HA TYR 64 51.898 16.657 34.169 504 HB2 TYR 64 HB2 TYR 64 51.996 19.152 34.609 505 HB3 TYR 64 HB3 TYR 64 50.678 18.922 35.740 506 HD1 TYR 64 HD1 TYR 64 51.047 17.873 37.901 507 HD2 TYR 64 HD2 TYR 64 54.230 18.231 35.036 508 HE1 TYR 64 HE1 TYR 64 52.700 17.298 39.660 509 HE2 TYR 64 HE2 TYR 64 55.871 17.663 36.784 510 HH TYR 64 HH TYR 64 54.920 16.561 39.897 511 H GLN 65 H GLN 65 48.661 17.740 35.164 512 HA GLN 65 HA GLN 65 48.421 16.046 37.405 513 HB2 GLN 65 HB2 GLN 65 46.290 17.249 35.626 514 HB3 GLN 65 HB3 GLN 65 45.972 16.459 37.171 515 HG2 GLN 65 HG2 GLN 65 47.385 18.083 38.330 516 HG3 GLN 65 HG3 GLN 65 47.804 18.845 36.798 517 HE21 GLN 65 HE21 GLN 65 46.543 20.316 38.909 518 HE22 GLN 65 HE22 GLN 65 44.984 20.748 38.397 519 H LEU 66 H LEU 66 47.427 15.587 34.026 520 HA LEU 66 HA LEU 66 46.206 13.063 34.439 521 HB2 LEU 66 HB2 LEU 66 47.377 14.275 31.925 522 HB3 LEU 66 HB3 LEU 66 46.388 12.817 31.969 523 HG LEU 66 HG LEU 66 45.480 15.524 32.996 524 HD11 LEU 66 HD11 LEU 66 43.921 15.214 30.901 525 HD12 LEU 66 HD12 LEU 66 45.208 14.150 30.334 526 HD13 LEU 66 HD13 LEU 66 45.554 15.844 30.677 527 HD21 LEU 66 HD21 LEU 66 44.263 13.790 34.103 528 HD22 LEU 66 HD22 LEU 66 44.146 12.832 32.628 529 HD23 LEU 66 HD23 LEU 66 43.221 14.326 32.785 530 H ALA 67 H ALA 67 49.518 14.000 33.660 531 HA ALA 67 HA ALA 67 50.556 11.469 33.053 532 HB1 ALA 67 HB1 ALA 67 52.733 12.444 33.789 533 HB2 ALA 67 HB2 ALA 67 51.857 13.849 34.395 534 HB3 ALA 67 HB3 ALA 67 51.851 13.482 32.670 535 H ALA 68 H ALA 68 50.097 13.099 36.175 536 HA ALA 68 HA ALA 68 49.942 12.245 38.297 537 HB1 ALA 68 HB1 ALA 68 48.629 10.376 38.454 538 HB2 ALA 68 HB2 ALA 68 49.630 9.448 37.338 539 HB3 ALA 68 HB3 ALA 68 48.463 10.614 36.713 540 H ALA 69 H ALA 69 50.931 9.271 38.777 541 HA ALA 69 HA ALA 69 53.428 10.051 39.800 542 HB1 ALA 69 HB1 ALA 69 53.587 7.898 40.611 543 HB2 ALA 69 HB2 ALA 69 52.849 7.187 39.176 544 HB3 ALA 69 HB3 ALA 69 51.847 8.027 40.359 545 H ASP 70 H ASP 70 52.592 9.122 36.565 546 HA ASP 70 HA ASP 70 55.271 8.072 36.005 547 HB2 ASP 70 HB2 ASP 70 52.805 8.276 34.275 548 HB3 ASP 70 HB3 ASP 70 54.326 7.524 33.791 549 H TRP 71 H TRP 71 54.320 11.132 36.311 550 HA TRP 71 HA TRP 71 54.819 12.494 33.993 551 HB2 TRP 71 HB2 TRP 71 54.151 13.673 35.925 552 HB3 TRP 71 HB3 TRP 71 55.550 13.153 36.831 553 HD1 TRP 71 HD1 TRP 71 57.322 14.916 37.089 554 HE1 TRP 71 HE1 TRP 71 58.016 17.049 35.822 555 HE3 TRP 71 HE3 TRP 71 54.112 14.690 33.117 556 HZ2 TRP 71 HZ2 TRP 71 57.337 18.458 33.438 557 HZ3 TRP 71 HZ3 TRP 71 54.167 16.436 31.363 558 HH2 TRP 71 HH2 TRP 71 55.775 18.319 31.516 559 HA PRO 72 HA PRO 72 59.715 12.235 34.923 560 HB2 PRO 72 HB2 PRO 72 59.507 9.314 35.566 561 HB3 PRO 72 HB3 PRO 72 60.725 10.498 36.082 562 HG2 PRO 72 HG2 PRO 72 58.779 9.713 37.713 563 HG3 PRO 72 HG3 PRO 72 59.383 11.379 37.715 564 HD2 PRO 72 HD2 PRO 72 56.793 10.338 36.735 565 HD3 PRO 72 HD3 PRO 72 57.223 11.975 37.271 566 H GLU 73 H GLU 73 57.688 9.539 33.700 567 HA GLU 73 HA GLU 73 59.547 8.952 31.563 568 HB2 GLU 73 HB2 GLU 73 56.727 7.997 32.106 569 HB3 GLU 73 HB3 GLU 73 57.740 7.412 30.786 570 HG2 GLU 73 HG2 GLU 73 58.075 5.835 32.514 571 HG3 GLU 73 HG3 GLU 73 59.490 6.877 32.591 572 H ILE 74 H ILE 74 56.321 10.428 31.806 573 HA ILE 74 HA ILE 74 55.927 10.851 29.056 574 HB ILE 74 HB ILE 74 54.826 12.357 31.443 575 HG12 ILE 74 HG12 ILE 74 53.599 10.152 29.767 576 HG13 ILE 74 HG13 ILE 74 54.456 9.853 31.276 577 HG21 ILE 74 HG21 ILE 74 53.062 13.131 29.981 578 HG22 ILE 74 HG22 ILE 74 53.704 12.198 28.628 579 HG23 ILE 74 HG23 ILE 74 54.598 13.587 29.247 580 HD11 ILE 74 HD11 ILE 74 52.778 10.737 32.566 581 HD12 ILE 74 HD12 ILE 74 51.801 10.231 31.191 582 HD13 ILE 74 HD13 ILE 74 52.298 11.914 31.345 583 H GLY 75 H GLY 75 57.514 12.843 31.489 584 HA2 GLY 75 HA2 GLY 75 57.683 15.253 30.059 585 HA3 GLY 75 HA3 GLY 75 58.744 14.770 31.372 586 H ARG 76 H ARG 76 59.363 12.302 29.524 587 HA ARG 76 HA ARG 76 61.824 13.267 28.519 588 HB2 ARG 76 HB2 ARG 76 60.281 10.736 27.912 589 HB3 ARG 76 HB3 ARG 76 61.962 11.029 27.457 590 HG2 ARG 76 HG2 ARG 76 62.582 11.316 29.800 591 HG3 ARG 76 HG3 ARG 76 60.903 11.120 30.296 592 HD2 ARG 76 HD2 ARG 76 62.016 9.025 30.650 593 HD3 ARG 76 HD3 ARG 76 60.953 8.827 29.261 594 HE ARG 76 HE ARG 76 63.876 8.883 29.241 595 HH11 ARG 76 HH11 ARG 76 60.935 8.899 27.319 596 HH12 ARG 76 HH12 ARG 76 61.752 8.365 25.889 597 HH21 ARG 76 HH21 ARG 76 64.868 8.198 27.366 598 HH22 ARG 76 HH22 ARG 76 63.949 7.975 25.916 599 H LEU 77 H LEU 77 58.629 13.064 27.084 600 HA LEU 77 HA LEU 77 59.578 12.973 24.381 601 HB2 LEU 77 HB2 LEU 77 56.862 13.357 25.625 602 HB3 LEU 77 HB3 LEU 77 57.110 13.459 23.881 603 HG LEU 77 HG LEU 77 58.178 11.102 25.412 604 HD11 LEU 77 HD11 LEU 77 55.400 11.240 24.215 605 HD12 LEU 77 HD12 LEU 77 55.715 11.454 25.937 606 HD13 LEU 77 HD13 LEU 77 56.102 9.922 25.154 607 HD21 LEU 77 HD21 LEU 77 58.915 11.262 23.136 608 HD22 LEU 77 HD22 LEU 77 57.294 11.668 22.572 609 HD23 LEU 77 HD23 LEU 77 57.643 10.040 23.153 610 HA PRO 78 HA PRO 78 60.037 17.375 23.663 611 HB2 PRO 78 HB2 PRO 78 59.112 17.572 21.053 612 HB3 PRO 78 HB3 PRO 78 60.744 17.046 21.506 613 HG2 PRO 78 HG2 PRO 78 58.372 15.419 20.761 614 HG3 PRO 78 HG3 PRO 78 60.080 15.192 20.338 615 HD2 PRO 78 HD2 PRO 78 58.908 13.711 22.268 616 HD3 PRO 78 HD3 PRO 78 60.608 14.215 22.380 617 H LEU 79 H LEU 79 58.726 18.945 24.426 618 HA LEU 79 HA LEU 79 55.848 18.867 23.719 619 HB2 LEU 79 HB2 LEU 79 56.453 18.877 26.150 620 HB3 LEU 79 HB3 LEU 79 57.187 20.464 25.911 621 HG LEU 79 HG LEU 79 54.958 21.224 24.951 622 HD11 LEU 79 HD11 LEU 79 54.265 18.458 25.914 623 HD12 LEU 79 HD12 LEU 79 53.804 19.257 24.411 624 HD13 LEU 79 HD13 LEU 79 53.043 19.731 25.930 625 HD21 LEU 79 HD21 LEU 79 55.127 20.285 27.830 626 HD22 LEU 79 HD22 LEU 79 53.895 21.392 27.223 627 HD23 LEU 79 HD23 LEU 79 55.594 21.867 27.203 628 H PHE 80 H PHE 80 55.100 20.312 22.312 629 HA PHE 80 HA PHE 80 56.760 22.547 21.425 630 HB2 PHE 80 HB2 PHE 80 53.983 21.679 20.596 631 HB3 PHE 80 HB3 PHE 80 54.912 22.949 19.839 632 HD1 PHE 80 HD1 PHE 80 54.034 19.516 19.789 633 HD2 PHE 80 HD2 PHE 80 57.218 22.223 18.793 634 HE1 PHE 80 HE1 PHE 80 54.937 17.860 18.184 635 HE2 PHE 80 HE2 PHE 80 58.124 20.561 17.187 636 HZ PHE 80 HZ PHE 80 56.971 18.385 16.873 637 H VAL 81 H VAL 81 56.546 24.559 22.292 638 HA VAL 81 HA VAL 81 53.967 25.269 23.569 639 HB VAL 81 HB VAL 81 55.207 26.779 25.031 640 HG11 VAL 81 HG11 VAL 81 54.834 24.392 25.663 641 HG12 VAL 81 HG12 VAL 81 56.276 25.082 26.409 642 HG13 VAL 81 HG13 VAL 81 56.430 24.007 25.019 643 HG21 VAL 81 HG21 VAL 81 57.480 25.955 23.269 644 HG22 VAL 81 HG22 VAL 81 57.834 26.244 24.970 645 HG23 VAL 81 HG23 VAL 81 57.127 27.524 23.986 646 HA PRO 82 HA PRO 82 53.776 28.301 20.403 647 HB2 PRO 82 HB2 PRO 82 51.908 30.014 21.340 648 HB3 PRO 82 HB3 PRO 82 51.516 28.351 20.860 649 HG2 PRO 82 HG2 PRO 82 51.831 29.511 23.565 650 HG3 PRO 82 HG3 PRO 82 50.740 28.237 22.995 651 HD2 PRO 82 HD2 PRO 82 53.134 27.811 24.377 652 HD3 PRO 82 HD3 PRO 82 52.253 26.589 23.438 653 H SER 83 H SER 83 54.758 29.348 23.579 654 HA SER 83 HA SER 83 55.921 31.792 22.443 655 HB2 SER 83 HB2 SER 83 54.855 33.266 23.951 656 HB3 SER 83 HB3 SER 83 53.565 32.216 23.378 657 HG SER 83 HG SER 83 54.853 32.248 25.820 658 HA PRO 84 HA PRO 84 59.327 30.969 25.172 659 HB2 PRO 84 HB2 PRO 84 59.664 33.502 26.365 660 HB3 PRO 84 HB3 PRO 84 60.436 32.929 24.877 661 HG2 PRO 84 HG2 PRO 84 58.056 34.653 25.225 662 HG3 PRO 84 HG3 PRO 84 59.305 34.678 23.967 663 HD2 PRO 84 HD2 PRO 84 56.851 33.683 23.472 664 HD3 PRO 84 HD3 PRO 84 58.305 32.970 22.736 665 H ARG 85 H ARG 85 56.739 32.983 26.595 666 HA ARG 85 HA ARG 85 57.302 32.460 29.291 667 HB2 ARG 85 HB2 ARG 85 54.658 33.045 27.941 668 HB3 ARG 85 HB3 ARG 85 54.917 33.072 29.686 669 HG2 ARG 85 HG2 ARG 85 56.717 34.775 29.348 670 HG3 ARG 85 HG3 ARG 85 56.311 34.812 27.632 671 HD2 ARG 85 HD2 ARG 85 54.449 35.504 29.921 672 HD3 ARG 85 HD3 ARG 85 55.179 36.644 28.796 673 HE ARG 85 HE ARG 85 53.719 34.657 27.380 674 HH11 ARG 85 HH11 ARG 85 53.202 37.519 29.346 675 HH12 ARG 85 HH12 ARG 85 51.680 37.877 28.601 676 HH21 ARG 85 HH21 ARG 85 51.754 35.169 26.458 677 HH22 ARG 85 HH22 ARG 85 50.872 36.563 26.987 678 H VAL 86 H VAL 86 55.067 30.763 27.075 679 HA VAL 86 HA VAL 86 54.187 28.821 28.905 680 HB VAL 86 HB VAL 86 54.542 28.567 25.906 681 HG11 VAL 86 HG11 VAL 86 52.628 26.913 26.206 682 HG12 VAL 86 HG12 VAL 86 52.960 26.971 27.937 683 HG13 VAL 86 HG13 VAL 86 54.190 26.374 26.824 684 HG21 VAL 86 HG21 VAL 86 52.287 29.363 25.729 685 HG22 VAL 86 HG22 VAL 86 53.129 30.499 26.781 686 HG23 VAL 86 HG23 VAL 86 52.055 29.285 27.475 687 H ALA 87 H ALA 87 57.017 28.896 26.770 688 HA ALA 87 HA ALA 87 57.935 26.282 27.152 689 HB1 ALA 87 HB1 ALA 87 58.797 28.274 25.638 690 HB2 ALA 87 HB2 ALA 87 59.896 26.993 26.152 691 HB3 ALA 87 HB3 ALA 87 59.890 28.542 26.997 692 H GLU 88 H GLU 88 58.512 29.222 29.049 693 HA GLU 88 HA GLU 88 60.360 28.146 30.872 694 HB2 GLU 88 HB2 GLU 88 58.317 30.346 31.258 695 HB3 GLU 88 HB3 GLU 88 59.639 29.998 32.373 696 HG2 GLU 88 HG2 GLU 88 61.260 30.352 30.521 697 HG3 GLU 88 HG3 GLU 88 59.925 30.779 29.459 698 H MET 89 H MET 89 56.813 28.229 30.932 699 HA MET 89 HA MET 89 56.399 27.161 33.491 700 HB2 MET 89 HB2 MET 89 54.785 26.751 30.957 701 HB3 MET 89 HB3 MET 89 54.216 26.386 32.583 702 HG2 MET 89 HG2 MET 89 55.082 29.123 31.603 703 HG3 MET 89 HG3 MET 89 53.414 28.598 31.806 704 HE1 MET 89 HE1 MET 89 52.463 27.695 33.743 705 HE2 MET 89 HE2 MET 89 52.739 28.249 35.393 706 HE3 MET 89 HE3 MET 89 53.655 26.882 34.765 707 H ALA 90 H ALA 90 56.857 25.545 30.375 708 HA ALA 90 HA ALA 90 56.506 22.900 31.269 709 HB1 ALA 90 HB1 ALA 90 58.167 23.987 28.986 710 HB2 ALA 90 HB2 ALA 90 56.502 23.412 28.904 711 HB3 ALA 90 HB3 ALA 90 57.812 22.277 29.232 712 H ARG 91 H ARG 91 59.401 24.937 31.105 713 HA ARG 91 HA ARG 91 61.271 22.958 31.826 714 HB2 ARG 91 HB2 ARG 91 61.332 25.949 32.284 715 HB3 ARG 91 HB3 ARG 91 62.713 24.873 32.504 716 HG2 ARG 91 HG2 ARG 91 62.494 24.157 30.128 717 HG3 ARG 91 HG3 ARG 91 61.189 25.325 29.922 718 HD2 ARG 91 HD2 ARG 91 62.789 27.122 30.678 719 HD3 ARG 91 HD3 ARG 91 64.072 25.918 30.626 720 HE ARG 91 HE ARG 91 62.529 26.184 28.177 721 HH11 ARG 91 HH11 ARG 91 65.393 27.228 29.919 722 HH12 ARG 91 HH12 ARG 91 66.204 27.742 28.478 723 HH21 ARG 91 HH21 ARG 91 63.623 26.863 26.356 724 HH22 ARG 91 HH22 ARG 91 65.213 27.538 26.486 725 H GLU 92 H GLU 92 59.355 25.191 33.823 726 HA GLU 92 HA GLU 92 60.589 24.615 36.281 727 HB2 GLU 92 HB2 GLU 92 57.751 25.473 35.685 728 HB3 GLU 92 HB3 GLU 92 58.465 25.443 37.298 729 HG2 GLU 92 HG2 GLU 92 60.254 26.977 36.506 730 HG3 GLU 92 HG3 GLU 92 59.468 27.053 34.935 731 H LEU 93 H LEU 93 57.929 22.992 34.594 732 HA LEU 93 HA LEU 93 57.301 21.184 36.688 733 HB2 LEU 93 HB2 LEU 93 56.961 20.780 33.712 734 HB3 LEU 93 HB3 LEU 93 56.191 19.830 34.975 735 HG LEU 93 HG LEU 93 55.777 22.795 34.471 736 HD11 LEU 93 HD11 LEU 93 53.420 21.934 34.008 737 HD12 LEU 93 HD12 LEU 93 54.112 20.311 34.008 738 HD13 LEU 93 HD13 LEU 93 54.636 21.494 32.808 739 HD21 LEU 93 HD21 LEU 93 54.708 20.905 36.586 740 HD22 LEU 93 HD22 LEU 93 53.887 22.408 36.165 741 HD23 LEU 93 HD23 LEU 93 55.520 22.452 36.830 742 H GLY 94 H GLY 94 59.994 21.229 34.497 743 HA2 GLY 94 HA2 GLY 94 61.861 19.770 34.908 744 HA3 GLY 94 HA3 GLY 94 60.737 18.521 35.412 745 H ALA 95 H ALA 95 59.767 20.197 32.523 746 HA ALA 95 HA ALA 95 59.743 17.845 30.988 747 HB1 ALA 95 HB1 ALA 95 58.361 19.792 30.430 748 HB2 ALA 95 HB2 ALA 95 59.372 19.343 29.057 749 HB3 ALA 95 HB3 ALA 95 59.809 20.728 30.058 750 H GLN 96 H GLN 96 61.297 16.775 29.970 751 HA GLN 96 HA GLN 96 64.009 17.536 30.438 752 HB2 GLN 96 HB2 GLN 96 62.838 15.267 28.811 753 HB3 GLN 96 HB3 GLN 96 64.538 15.426 29.264 754 HG2 GLN 96 HG2 GLN 96 63.889 15.446 31.655 755 HG3 GLN 96 HG3 GLN 96 62.204 15.236 31.190 756 HE21 GLN 96 HE21 GLN 96 62.253 13.163 32.432 757 HE22 GLN 96 HE22 GLN 96 62.945 11.785 31.734 758 H ARG 97 H ARG 97 61.889 17.544 27.608 759 HA ARG 97 HA ARG 97 63.935 19.143 26.189 760 HB2 ARG 97 HB2 ARG 97 63.883 16.819 25.299 761 HB3 ARG 97 HB3 ARG 97 62.175 17.034 24.917 762 HG2 ARG 97 HG2 ARG 97 62.771 18.980 23.482 763 HG3 ARG 97 HG3 ARG 97 64.477 18.666 23.806 764 HD2 ARG 97 HD2 ARG 97 62.553 16.711 22.516 765 HD3 ARG 97 HD3 ARG 97 63.762 17.663 21.659 766 HE ARG 97 HE ARG 97 64.235 15.323 23.322 767 HH11 ARG 97 HH11 ARG 97 65.692 18.099 21.740 768 HH12 ARG 97 HH12 ARG 97 67.277 17.401 21.756 769 HH21 ARG 97 HH21 ARG 97 66.299 14.477 23.313 770 HH22 ARG 97 HH22 ARG 97 67.615 15.376 22.635 771 H VAL 98 H VAL 98 63.121 21.115 26.002 772 HA VAL 98 HA VAL 98 60.225 21.431 25.458 773 HB VAL 98 HB VAL 98 62.151 23.421 26.691 774 HG11 VAL 98 HG11 VAL 98 60.293 24.463 25.447 775 HG12 VAL 98 HG12 VAL 98 60.086 24.688 27.184 776 HG13 VAL 98 HG13 VAL 98 59.137 23.469 26.333 777 HG21 VAL 98 HG21 VAL 98 59.896 21.869 28.002 778 HG22 VAL 98 HG22 VAL 98 61.045 22.945 28.795 779 HG23 VAL 98 HG23 VAL 98 61.594 21.411 28.122 780 H ILE 99 H ILE 99 59.623 22.351 23.606 781 HA ILE 99 HA ILE 99 61.721 23.470 21.842 782 HB ILE 99 HB ILE 99 59.258 21.849 21.137 783 HG12 ILE 99 HG12 ILE 99 62.181 21.153 20.764 784 HG13 ILE 99 HG13 ILE 99 61.248 20.645 22.169 785 HG21 ILE 99 HG21 ILE 99 61.202 23.421 19.497 786 HG22 ILE 99 HG22 ILE 99 59.475 23.160 19.255 787 HG23 ILE 99 HG23 ILE 99 60.623 21.888 18.843 788 HD11 ILE 99 HD11 ILE 99 60.675 19.960 19.273 789 HD12 ILE 99 HD12 ILE 99 59.600 19.568 20.615 790 HD13 ILE 99 HD13 ILE 99 61.210 18.850 20.535 791 H ASP 100 H ASP 100 61.442 25.570 21.420 792 HA ASP 100 HA ASP 100 58.805 26.790 21.811 793 HB2 ASP 100 HB2 ASP 100 60.826 27.854 22.805 794 HB3 ASP 100 HB3 ASP 100 61.461 28.099 21.181 795 H CYS 101 H CYS 101 57.469 26.926 20.118 796 HA CYS 101 HA CYS 101 58.590 26.839 17.406 797 HB2 CYS 101 HB2 CYS 101 56.338 26.290 16.677 798 HB3 CYS 101 HB3 CYS 101 56.826 25.225 17.995 799 HG CYS 101 HG CYS 101 54.632 27.392 18.155 800 H ARG 102 H ARG 102 57.925 29.311 19.453 801 HA ARG 102 HA ARG 102 56.185 31.021 18.101 802 HB2 ARG 102 HB2 ARG 102 57.109 31.428 20.374 803 HB3 ARG 102 HB3 ARG 102 58.671 31.795 19.648 804 HG2 ARG 102 HG2 ARG 102 57.650 33.908 19.981 805 HG3 ARG 102 HG3 ARG 102 57.422 33.576 18.267 806 HD2 ARG 102 HD2 ARG 102 55.143 32.709 18.764 807 HD3 ARG 102 HD3 ARG 102 55.379 33.120 20.460 808 HE ARG 102 HE ARG 102 54.883 35.299 19.915 809 HH11 ARG 102 HH11 ARG 102 55.945 33.697 16.977 810 HH12 ARG 102 HH12 ARG 102 55.620 35.081 15.987 811 HH21 ARG 102 HH21 ARG 102 54.484 37.048 18.589 812 HH22 ARG 102 HH22 ARG 102 54.803 36.953 16.890 813 H GLY 103 H GLY 103 59.655 30.469 17.629 814 HA2 GLY 103 HA2 GLY 103 59.661 32.323 15.350 815 HA3 GLY 103 HA3 GLY 103 61.080 31.603 16.101 816 H ALA 104 H ALA 104 60.046 28.891 16.114 817 HA ALA 104 HA ALA 104 60.802 28.118 13.457 818 HB1 ALA 104 HB1 ALA 104 60.754 25.914 14.252 819 HB2 ALA 104 HB2 ALA 104 59.520 26.275 15.459 820 HB3 ALA 104 HB3 ALA 104 61.173 26.847 15.688 821 H SER 105 H SER 105 59.558 27.435 11.786 822 HA SER 105 HA SER 105 56.706 28.003 11.929 823 HB2 SER 105 HB2 SER 105 56.723 27.797 9.538 824 HB3 SER 105 HB3 SER 105 58.162 28.703 9.993 825 HG SER 105 HG SER 105 59.202 27.152 9.073 826 H ALA 106 H ALA 106 55.164 26.437 10.926 827 HA ALA 106 HA ALA 106 55.019 24.048 12.260 828 HB1 ALA 106 HB1 ALA 106 53.218 25.202 10.889 829 HB2 ALA 106 HB2 ALA 106 53.242 23.440 10.845 830 HB3 ALA 106 HB3 ALA 106 53.886 24.364 9.490 831 HA PRO 107 HA PRO 107 56.858 21.539 8.554 832 HB2 PRO 107 HB2 PRO 107 58.802 22.941 7.107 833 HB3 PRO 107 HB3 PRO 107 57.170 22.548 6.541 834 HG2 PRO 107 HG2 PRO 107 58.221 25.076 7.662 835 HG3 PRO 107 HG3 PRO 107 56.997 24.810 6.408 836 HD2 PRO 107 HD2 PRO 107 56.326 25.556 8.897 837 HD3 PRO 107 HD3 PRO 107 55.288 24.483 7.939 838 H ALA 108 H ALA 108 58.749 24.133 10.049 839 HA ALA 108 HA ALA 108 61.160 22.725 10.422 840 HB1 ALA 108 HB1 ALA 108 61.721 24.397 12.028 841 HB2 ALA 108 HB2 ALA 108 60.024 24.749 12.357 842 HB3 ALA 108 HB3 ALA 108 60.736 25.207 10.810 843 H LEU 109 H LEU 109 58.250 22.967 12.438 844 HA LEU 109 HA LEU 109 59.142 21.455 14.624 845 HB2 LEU 109 HB2 LEU 109 56.332 21.586 13.502 846 HB3 LEU 109 HB3 LEU 109 56.780 21.104 15.137 847 HG LEU 109 HG LEU 109 57.319 23.830 13.921 848 HD11 LEU 109 HD11 LEU 109 55.307 22.982 16.027 849 HD12 LEU 109 HD12 LEU 109 54.911 23.376 14.354 850 HD13 LEU 109 HD13 LEU 109 55.556 24.621 15.424 851 HD21 LEU 109 HD21 LEU 109 57.813 24.399 16.336 852 HD22 LEU 109 HD22 LEU 109 58.984 23.308 15.596 853 HD23 LEU 109 HD23 LEU 109 57.755 22.673 16.690 854 H LEU 110 H LEU 110 57.654 20.446 11.570 855 HA LEU 110 HA LEU 110 57.322 17.716 12.108 856 HB2 LEU 110 HB2 LEU 110 56.468 18.862 10.082 857 HB3 LEU 110 HB3 LEU 110 58.119 19.001 9.481 858 HG LEU 110 HG LEU 110 58.297 16.488 9.628 859 HD11 LEU 110 HD11 LEU 110 56.575 15.958 11.203 860 HD12 LEU 110 HD12 LEU 110 56.031 15.315 9.653 861 HD13 LEU 110 HD13 LEU 110 55.359 16.826 10.267 862 HD21 LEU 110 HD21 LEU 110 57.829 17.606 7.491 863 HD22 LEU 110 HD22 LEU 110 56.107 17.636 7.868 864 HD23 LEU 110 HD23 LEU 110 56.923 16.097 7.594 865 H ALA 111 H ALA 111 60.119 19.478 10.833 866 HA ALA 111 HA ALA 111 61.828 17.274 10.463 867 HB1 ALA 111 HB1 ALA 111 62.264 19.570 9.602 868 HB2 ALA 111 HB2 ALA 111 63.644 18.888 10.462 869 HB3 ALA 111 HB3 ALA 111 62.620 20.088 11.250 870 H ALA 112 H ALA 112 61.248 19.320 13.296 871 HA ALA 112 HA ALA 112 63.270 18.291 14.949 872 HB1 ALA 112 HB1 ALA 112 61.883 20.333 15.412 873 HB2 ALA 112 HB2 ALA 112 62.041 19.245 16.791 874 HB3 ALA 112 HB3 ALA 112 60.550 19.265 15.849 875 H LEU 113 H LEU 113 59.943 17.194 14.407 876 HA LEU 113 HA LEU 113 59.814 15.248 16.424 877 HB2 LEU 113 HB2 LEU 113 58.427 15.723 13.824 878 HB3 LEU 113 HB3 LEU 113 58.244 14.129 14.550 879 HG LEU 113 HG LEU 113 57.842 16.578 16.248 880 HD11 LEU 113 HD11 LEU 113 55.676 15.308 14.549 881 HD12 LEU 113 HD12 LEU 113 56.480 16.821 14.129 882 HD13 LEU 113 HD13 LEU 113 55.518 16.713 15.603 883 HD21 LEU 113 HD21 LEU 113 56.056 14.866 17.134 884 HD22 LEU 113 HD22 LEU 113 57.758 14.608 17.521 885 HD23 LEU 113 HD23 LEU 113 57.001 13.689 16.220 886 H THR 114 H THR 114 60.815 14.957 13.031 887 HA THR 114 HA THR 114 61.283 12.169 13.133 888 HB THR 114 HB THR 114 62.482 12.484 11.014 889 HG1 THR 114 HG1 THR 114 62.931 14.514 10.359 890 HG21 THR 114 HG21 THR 114 60.600 13.125 9.801 891 HG22 THR 114 HG22 THR 114 60.192 14.420 10.925 892 HG23 THR 114 HG23 THR 114 59.880 12.741 11.365 893 H SER 115 H SER 115 63.461 14.928 13.644 894 HA SER 115 HA SER 115 65.843 13.418 13.844 895 HB2 SER 115 HB2 SER 115 66.814 15.408 14.819 896 HB3 SER 115 HB3 SER 115 65.729 15.888 13.519 897 HG SER 115 HG SER 115 65.253 17.090 15.304 898 H ALA 116 H ALA 116 63.461 14.409 16.274 899 HA ALA 116 HA ALA 116 64.908 13.598 18.550 900 HB1 ALA 116 HB1 ALA 116 62.998 15.052 18.787 901 HB2 ALA 116 HB2 ALA 116 62.656 13.555 19.653 902 HB3 ALA 116 HB3 ALA 116 61.932 13.844 18.072 903 H ALA 117 H ALA 117 62.622 11.853 16.470 904 HA ALA 117 HA ALA 117 62.401 9.511 17.994 905 HB1 ALA 117 HB1 ALA 117 62.181 10.060 15.040 906 HB2 ALA 117 HB2 ALA 117 60.891 9.735 16.198 907 HB3 ALA 117 HB3 ALA 117 61.972 8.435 15.694 908 H LEU 118 H LEU 118 64.812 10.481 15.587 909 HA LEU 118 HA LEU 118 66.205 8.027 15.448 910 HB2 LEU 118 HB2 LEU 118 67.265 10.842 15.093 911 HB3 LEU 118 HB3 LEU 118 68.076 9.366 14.570 912 HG LEU 118 HG LEU 118 65.328 10.230 13.626 913 HD11 LEU 118 HD11 LEU 118 66.921 11.791 12.732 914 HD12 LEU 118 HD12 LEU 118 66.587 10.626 11.451 915 HD13 LEU 118 HD13 LEU 118 68.077 10.505 12.386 916 HD21 LEU 118 HD21 LEU 118 66.006 8.489 11.809 917 HD22 LEU 118 HD22 LEU 118 65.456 7.889 13.374 918 HD23 LEU 118 HD23 LEU 118 67.180 7.933 13.002 919 H GLU 119 H GLU 119 66.499 10.788 17.643 920 HA GLU 119 HA GLU 119 68.868 9.972 18.946 921 HB2 GLU 119 HB2 GLU 119 66.557 11.645 19.952 922 HB3 GLU 119 HB3 GLU 119 68.114 11.488 20.766 923 HG2 GLU 119 HG2 GLU 119 69.239 12.338 18.716 924 HG3 GLU 119 HG3 GLU 119 67.663 12.567 17.970 925 H HIS 120 H HIS 120 65.484 9.112 19.456 926 HA HIS 120 HA HIS 120 65.652 8.016 22.019 927 HB2 HIS 120 HB2 HIS 120 63.555 8.404 20.741 928 HB3 HIS 120 HB3 HIS 120 63.952 7.031 19.726 929 HD1 HIS 120 HD1 HIS 120 63.575 7.687 23.474 930 HD2 HIS 120 HD2 HIS 120 62.718 4.752 20.641 931 HE1 HIS 120 HE1 HIS 120 62.374 5.832 24.708 932 H HIS 121 H HIS 121 66.347 6.551 18.863 933 HA HIS 121 HA HIS 121 67.393 4.155 20.261 934 HB2 HIS 121 HB2 HIS 121 66.451 4.497 17.412 935 HB3 HIS 121 HB3 HIS 121 67.153 3.031 18.068 936 HD1 HIS 121 HD1 HIS 121 65.728 2.151 20.335 937 HD2 HIS 121 HD2 HIS 121 63.715 4.467 17.513 938 HE1 HIS 121 HE1 HIS 121 63.258 1.735 20.699 939 H HIS 122 H HIS 122 69.516 3.819 20.231 940 HA HIS 122 HA HIS 122 71.375 5.617 19.155 941 HB2 HIS 122 HB2 HIS 122 71.742 2.703 19.859 942 HB3 HIS 122 HB3 HIS 122 73.042 3.847 19.583 943 HD1 HIS 122 HD1 HIS 122 72.962 6.006 21.314 944 HD2 HIS 122 HD2 HIS 122 70.963 2.542 22.491 945 HE1 HIS 122 HE1 HIS 122 72.621 6.192 23.815 946 H HIS 123 H HIS 123 70.080 2.584 17.861 947 HA HIS 123 HA HIS 123 71.444 3.154 15.290 948 HB2 HIS 123 HB2 HIS 123 70.550 0.522 16.471 949 HB3 HIS 123 HB3 HIS 123 71.198 0.722 14.854 950 HD1 HIS 123 HD1 HIS 123 72.180 0.611 18.458 951 HD2 HIS 123 HD2 HIS 123 74.025 1.183 14.763 952 HE1 HIS 123 HE1 HIS 123 74.671 0.435 18.868 953 H HIS 124 H HIS 124 70.210 3.520 13.560 954 HA HIS 124 HA HIS 124 67.420 3.852 13.727 955 HB2 HIS 124 HB2 HIS 124 68.813 4.977 12.053 956 HB3 HIS 124 HB3 HIS 124 69.162 3.436 11.294 957 HD1 HIS 124 HD1 HIS 124 66.837 2.134 10.452 958 HD2 HIS 124 HD2 HIS 124 66.691 6.277 10.898 959 HE1 HIS 124 HE1 HIS 124 64.839 2.928 9.116 960 H HIS 125 H HIS 125 69.396 1.190 12.473 961 HA HIS 125 HA HIS 125 66.951 -0.435 12.131 962 HB2 HIS 125 HB2 HIS 125 69.736 -0.892 11.056 963 HB3 HIS 125 HB3 HIS 125 68.331 -1.889 10.731 964 HD1 HIS 125 HD1 HIS 125 66.274 -0.458 9.521 965 HD2 HIS 125 HD2 HIS 125 70.143 1.054 9.162 966 HE1 HIS 125 HE1 HIS 125 66.235 1.151 7.567 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 55.836 6.557 7.188 2 H2 MET 1 HT2 MET 1 57.439 5.997 7.241 3 H3 MET 1 HT3 MET 1 57.093 7.530 6.596 4 HA MET 1 HA MET 1 56.857 6.681 9.429 5 HB2 MET 1 HB2 MET 1 58.524 8.812 8.051 6 HB3 MET 1 HB3 MET 1 58.527 8.464 9.778 7 HG2 MET 1 HG2 MET 1 59.363 6.553 7.576 8 HG3 MET 1 HG3 MET 1 60.447 7.390 8.683 9 HE1 MET 1 HE1 MET 1 60.256 7.397 11.033 10 HE2 MET 1 HE2 MET 1 60.027 5.957 12.023 11 HE3 MET 1 HE3 MET 1 58.647 6.984 11.641 12 H ASP 2 H ASP 2 54.996 7.422 10.227 13 HA ASP 2 HA ASP 2 54.135 10.162 9.506 14 HB2 ASP 2 HB2 ASP 2 52.366 7.765 10.038 15 HB3 ASP 2 HB3 ASP 2 51.809 9.406 9.714 16 HA PRO 3 HA PRO 3 55.137 9.738 14.055 17 HB2 PRO 3 HB2 PRO 3 55.343 12.537 14.349 18 HB3 PRO 3 HB3 PRO 3 56.685 11.399 14.138 19 HG2 PRO 3 HG2 PRO 3 55.345 13.126 12.144 20 HG3 PRO 3 HG3 PRO 3 57.043 12.627 12.262 21 HD2 PRO 3 HD2 PRO 3 55.401 11.534 10.438 22 HD3 PRO 3 HD3 PRO 3 56.657 10.565 11.242 23 H LYS 4 H LYS 4 53.867 10.264 15.891 24 HA LYS 4 HA LYS 4 51.176 11.341 15.262 25 HB2 LYS 4 HB2 LYS 4 52.012 9.293 17.331 26 HB3 LYS 4 HB3 LYS 4 50.374 9.908 17.113 27 HG2 LYS 4 HG2 LYS 4 50.419 9.074 14.759 28 HG3 LYS 4 HG3 LYS 4 52.003 8.366 15.073 29 HD2 LYS 4 HD2 LYS 4 50.995 7.047 16.937 30 HD3 LYS 4 HD3 LYS 4 49.411 7.679 16.485 31 HE2 LYS 4 HE2 LYS 4 49.521 6.632 14.322 32 HE3 LYS 4 HE3 LYS 4 51.212 6.192 14.559 33 HZ1 LYS 4 HZ1 LYS 4 49.333 4.467 14.991 34 HZ2 LYS 4 HZ2 LYS 4 49.209 5.257 16.490 35 HZ3 LYS 4 HZ3 LYS 4 50.677 4.539 16.025 36 H VAL 5 H VAL 5 50.380 12.987 16.515 37 HA VAL 5 HA VAL 5 51.780 13.590 19.050 38 HB VAL 5 HB VAL 5 51.467 16.020 18.586 39 HG11 VAL 5 HG11 VAL 5 53.670 15.348 18.303 40 HG12 VAL 5 HG12 VAL 5 53.303 15.978 16.696 41 HG13 VAL 5 HG13 VAL 5 53.274 14.238 16.989 42 HG21 VAL 5 HG21 VAL 5 49.756 15.375 16.667 43 HG22 VAL 5 HG22 VAL 5 51.213 15.351 15.674 44 HG23 VAL 5 HG23 VAL 5 50.753 16.821 16.533 45 H LEU 6 H LEU 6 50.593 14.379 20.693 46 HA LEU 6 HA LEU 6 47.659 14.200 20.386 47 HB2 LEU 6 HB2 LEU 6 48.793 12.707 22.057 48 HB3 LEU 6 HB3 LEU 6 49.281 14.153 22.940 49 HG LEU 6 HG LEU 6 46.744 14.766 22.849 50 HD11 LEU 6 HD11 LEU 6 45.818 13.157 21.417 51 HD12 LEU 6 HD12 LEU 6 45.449 12.498 23.010 52 HD13 LEU 6 HD13 LEU 6 46.806 11.858 22.081 53 HD21 LEU 6 HD21 LEU 6 46.366 13.251 24.883 54 HD22 LEU 6 HD22 LEU 6 47.776 14.308 24.954 55 HD23 LEU 6 HD23 LEU 6 47.973 12.598 24.566 56 H ILE 7 H ILE 7 46.375 15.923 20.827 57 HA ILE 7 HA ILE 7 47.731 18.473 21.433 58 HB ILE 7 HB ILE 7 44.971 18.030 20.266 59 HG12 ILE 7 HG12 ILE 7 47.462 18.940 18.804 60 HG13 ILE 7 HG13 ILE 7 46.944 17.253 18.825 61 HG21 ILE 7 HG21 ILE 7 46.726 20.503 20.391 62 HG22 ILE 7 HG22 ILE 7 45.348 20.196 21.448 63 HG23 ILE 7 HG23 ILE 7 45.100 20.409 19.715 64 HD11 ILE 7 HD11 ILE 7 44.912 17.743 17.712 65 HD12 ILE 7 HD12 ILE 7 46.133 18.683 16.851 66 HD13 ILE 7 HD13 ILE 7 45.065 19.473 18.008 67 H MET 8 H MET 8 47.318 19.556 23.231 68 HA MET 8 HA MET 8 45.355 18.576 25.144 69 HB2 MET 8 HB2 MET 8 47.413 20.797 25.225 70 HB3 MET 8 HB3 MET 8 46.329 20.439 26.562 71 HG2 MET 8 HG2 MET 8 48.317 18.499 25.337 72 HG3 MET 8 HG3 MET 8 48.542 19.360 26.855 73 HE1 MET 8 HE1 MET 8 45.915 17.970 29.213 74 HE2 MET 8 HE2 MET 8 45.514 19.268 28.091 75 HE3 MET 8 HE3 MET 8 47.111 19.215 28.833 76 H ARG 9 H ARG 9 43.433 19.516 25.577 77 HA ARG 9 HA ARG 9 42.225 21.269 23.757 78 HB2 ARG 9 HB2 ARG 9 41.001 19.770 25.324 79 HB3 ARG 9 HB3 ARG 9 41.459 20.834 26.654 80 HG2 ARG 9 HG2 ARG 9 40.319 22.722 25.516 81 HG3 ARG 9 HG3 ARG 9 39.816 21.623 24.231 82 HD2 ARG 9 HD2 ARG 9 38.640 20.231 25.938 83 HD3 ARG 9 HD3 ARG 9 39.067 21.423 27.162 84 HE ARG 9 HE ARG 9 36.985 21.648 25.184 85 HH11 ARG 9 HH11 ARG 9 39.190 23.520 27.174 86 HH12 ARG 9 HH12 ARG 9 38.184 24.929 27.138 87 HH21 ARG 9 HH21 ARG 9 35.733 23.493 25.173 88 HH22 ARG 9 HH22 ARG 9 36.251 24.913 26.019 89 H GLY 10 H GLY 10 41.897 23.449 23.706 90 HA2 GLY 10 HA2 GLY 10 42.618 25.206 25.860 91 HA3 GLY 10 HA3 GLY 10 43.805 25.211 24.559 92 H GLU 11 H GLU 11 42.680 27.562 24.964 93 HA GLU 11 HA GLU 11 40.213 28.162 23.818 94 HB2 GLU 11 HB2 GLU 11 41.633 29.750 25.108 95 HB3 GLU 11 HB3 GLU 11 42.703 29.877 23.712 96 HG2 GLU 11 HG2 GLU 11 41.176 31.729 23.596 97 HG3 GLU 11 HG3 GLU 11 40.699 30.583 22.348 98 H GLY 12 H GLY 12 43.345 27.633 22.262 99 HA2 GLY 12 HA2 GLY 12 42.776 28.618 19.708 100 HA3 GLY 12 HA3 GLY 12 43.905 27.310 20.053 101 H GLY 13 H GLY 13 42.373 27.325 17.729 102 HA2 GLY 13 HA2 GLY 13 40.034 25.646 18.127 103 HA3 GLY 13 HA3 GLY 13 40.650 26.236 16.587 104 H ARG 14 H ARG 14 40.085 23.497 18.214 105 HA ARG 14 HA ARG 14 42.407 21.942 18.095 106 HB2 ARG 14 HB2 ARG 14 39.540 21.094 17.602 107 HB3 ARG 14 HB3 ARG 14 40.877 20.006 17.965 108 HG2 ARG 14 HG2 ARG 14 41.210 21.171 20.134 109 HG3 ARG 14 HG3 ARG 14 39.814 22.194 19.778 110 HD2 ARG 14 HD2 ARG 14 38.460 20.067 19.513 111 HD3 ARG 14 HD3 ARG 14 39.848 19.192 20.152 112 HE ARG 14 HE ARG 14 39.357 21.172 21.998 113 HH11 ARG 14 HH11 ARG 14 37.453 18.551 20.642 114 HH12 ARG 14 HH12 ARG 14 36.471 18.395 22.061 115 HH21 ARG 14 HH21 ARG 14 38.054 20.924 23.798 116 HH22 ARG 14 HH22 ARG 14 36.809 19.720 23.822 117 H GLU 15 H GLU 15 39.904 22.503 15.637 118 HA GLU 15 HA GLU 15 40.927 20.707 13.715 119 HB2 GLU 15 HB2 GLU 15 38.622 21.675 13.712 120 HB3 GLU 15 HB3 GLU 15 39.315 23.214 13.197 121 HG2 GLU 15 HG2 GLU 15 40.302 22.071 11.218 122 HG3 GLU 15 HG3 GLU 15 39.513 20.580 11.712 123 H PHE 16 H PHE 16 41.582 24.134 14.329 124 HA PHE 16 HA PHE 16 42.857 24.710 11.884 125 HB2 PHE 16 HB2 PHE 16 42.051 26.334 13.655 126 HB3 PHE 16 HB3 PHE 16 43.510 25.953 14.550 127 HD1 PHE 16 HD1 PHE 16 42.159 27.481 11.470 128 HD2 PHE 16 HD2 PHE 16 45.654 26.848 13.886 129 HE1 PHE 16 HE1 PHE 16 43.376 29.197 10.157 130 HE2 PHE 16 HE2 PHE 16 46.871 28.563 12.571 131 HZ PHE 16 HZ PHE 16 45.732 29.738 10.708 132 H LEU 17 H LEU 17 44.327 23.945 15.060 133 HA LEU 17 HA LEU 17 46.988 23.899 14.111 134 HB2 LEU 17 HB2 LEU 17 45.804 22.408 16.468 135 HB3 LEU 17 HB3 LEU 17 47.516 22.733 16.204 136 HG LEU 17 HG LEU 17 45.385 24.872 16.488 137 HD11 LEU 17 HD11 LEU 17 46.691 25.278 18.672 138 HD12 LEU 17 HD12 LEU 17 47.347 23.657 18.437 139 HD13 LEU 17 HD13 LEU 17 45.609 23.885 18.636 140 HD21 LEU 17 HD21 LEU 17 48.370 24.883 16.074 141 HD22 LEU 17 HD22 LEU 17 47.582 26.224 16.903 142 HD23 LEU 17 HD23 LEU 17 47.137 25.831 15.243 143 H ALA 18 H ALA 18 44.580 21.319 14.492 144 HA ALA 18 HA ALA 18 46.244 19.165 13.817 145 HB1 ALA 18 HB1 ALA 18 44.051 18.059 13.135 146 HB2 ALA 18 HB2 ALA 18 43.266 19.585 13.541 147 HB3 ALA 18 HB3 ALA 18 44.122 18.676 14.786 148 H GLU 19 H GLU 19 44.466 21.435 11.769 149 HA GLU 19 HA GLU 19 44.655 19.984 9.365 150 HB2 GLU 19 HB2 GLU 19 43.179 21.972 9.746 151 HB3 GLU 19 HB3 GLU 19 44.615 22.995 9.678 152 HG2 GLU 19 HG2 GLU 19 45.109 22.098 7.408 153 HG3 GLU 19 HG3 GLU 19 43.617 21.170 7.475 154 H ARG 20 H ARG 20 46.790 22.467 10.783 155 HA ARG 20 HA ARG 20 48.621 22.580 8.647 156 HB2 ARG 20 HB2 ARG 20 49.066 22.998 11.607 157 HB3 ARG 20 HB3 ARG 20 50.278 23.344 10.374 158 HG2 ARG 20 HG2 ARG 20 48.644 24.881 9.265 159 HG3 ARG 20 HG3 ARG 20 47.533 24.611 10.613 160 HD2 ARG 20 HD2 ARG 20 49.320 25.401 12.176 161 HD3 ARG 20 HD3 ARG 20 50.319 25.792 10.780 162 HE ARG 20 HE ARG 20 47.693 27.012 10.737 163 HH11 ARG 20 HH11 ARG 20 51.009 27.401 11.828 164 HH12 ARG 20 HH12 ARG 20 50.893 29.128 11.886 165 HH21 ARG 20 HH21 ARG 20 47.612 29.245 10.823 166 HH22 ARG 20 HH22 ARG 20 48.995 30.156 11.326 167 H LEU 21 H LEU 21 48.757 20.572 11.608 168 HA LEU 21 HA LEU 21 51.198 19.319 10.914 169 HB2 LEU 21 HB2 LEU 21 48.992 18.486 12.798 170 HB3 LEU 21 HB3 LEU 21 50.523 17.622 12.646 171 HG LEU 21 HG LEU 21 50.367 20.588 13.231 172 HD11 LEU 21 HD11 LEU 21 50.235 18.208 15.053 173 HD12 LEU 21 HD12 LEU 21 49.389 19.749 15.168 174 HD13 LEU 21 HD13 LEU 21 51.097 19.649 15.594 175 HD21 LEU 21 HD21 LEU 21 52.710 19.848 14.225 176 HD22 LEU 21 HD22 LEU 21 52.537 20.149 12.497 177 HD23 LEU 21 HD23 LEU 21 52.521 18.496 13.109 178 H ARG 22 H ARG 22 47.830 18.459 10.252 179 HA ARG 22 HA ARG 22 48.316 15.843 9.306 180 HB2 ARG 22 HB2 ARG 22 46.077 16.744 9.931 181 HB3 ARG 22 HB3 ARG 22 46.105 17.734 8.470 182 HG2 ARG 22 HG2 ARG 22 46.341 15.685 7.099 183 HG3 ARG 22 HG3 ARG 22 46.259 14.706 8.565 184 HD2 ARG 22 HD2 ARG 22 44.023 15.701 9.054 185 HD3 ARG 22 HD3 ARG 22 44.099 16.552 7.514 186 HE ARG 22 HE ARG 22 44.544 13.840 6.993 187 HH11 ARG 22 HH11 ARG 22 41.918 15.840 8.186 188 HH12 ARG 22 HH12 ARG 22 40.697 14.767 7.586 189 HH21 ARG 22 HH21 ARG 22 42.929 12.498 6.244 190 HH22 ARG 22 HH22 ARG 22 41.264 12.900 6.501 191 H GLY 23 H GLY 23 48.165 18.972 7.616 192 HA2 GLY 23 HA2 GLY 23 48.407 18.006 4.997 193 HA3 GLY 23 HA3 GLY 23 48.908 19.603 5.534 194 H GLN 24 H GLN 24 50.867 18.560 7.467 195 HA GLN 24 HA GLN 24 53.024 18.071 5.586 196 HB2 GLN 24 HB2 GLN 24 53.024 18.521 8.569 197 HB3 GLN 24 HB3 GLN 24 54.480 18.314 7.592 198 HG2 GLN 24 HG2 GLN 24 53.870 20.250 6.221 199 HG3 GLN 24 HG3 GLN 24 52.374 20.444 7.131 200 HE21 GLN 24 HE21 GLN 24 54.372 22.511 6.973 201 HE22 GLN 24 HE22 GLN 24 55.019 22.731 8.525 202 H GLY 25 H GLY 25 50.946 15.901 6.808 203 HA2 GLY 25 HA2 GLY 25 51.189 13.591 6.454 204 HA3 GLY 25 HA3 GLY 25 52.933 13.788 6.483 205 H VAL 26 H VAL 26 51.310 15.304 9.120 206 HA VAL 26 HA VAL 26 52.200 13.138 10.902 207 HB VAL 26 HB VAL 26 51.372 15.971 11.586 208 HG11 VAL 26 HG11 VAL 26 52.379 15.485 13.760 209 HG12 VAL 26 HG12 VAL 26 52.821 13.866 13.220 210 HG13 VAL 26 HG13 VAL 26 51.122 14.297 13.417 211 HG21 VAL 26 HG21 VAL 26 53.398 16.083 10.293 212 HG22 VAL 26 HG22 VAL 26 54.083 14.695 11.139 213 HG23 VAL 26 HG23 VAL 26 53.869 16.225 11.988 214 H GLN 27 H GLN 27 50.805 12.061 12.230 215 HA GLN 27 HA GLN 27 47.961 12.286 11.635 216 HB2 GLN 27 HB2 GLN 27 49.431 10.439 13.529 217 HB3 GLN 27 HB3 GLN 27 47.739 10.297 13.056 218 HG2 GLN 27 HG2 GLN 27 48.483 10.070 10.674 219 HG3 GLN 27 HG3 GLN 27 50.152 10.047 11.241 220 HE21 GLN 27 HE21 GLN 27 50.945 8.098 12.216 221 HE22 GLN 27 HE22 GLN 27 50.009 6.686 12.327 222 H VAL 28 H VAL 28 46.449 13.165 12.975 223 HA VAL 28 HA VAL 28 47.476 14.437 15.452 224 HB VAL 28 HB VAL 28 45.236 15.410 13.665 225 HG11 VAL 28 HG11 VAL 28 45.866 17.546 15.092 226 HG12 VAL 28 HG12 VAL 28 46.497 16.350 16.220 227 HG13 VAL 28 HG13 VAL 28 44.795 16.318 15.762 228 HG21 VAL 28 HG21 VAL 28 47.540 15.527 12.627 229 HG22 VAL 28 HG22 VAL 28 48.032 16.546 13.979 230 HG23 VAL 28 HG23 VAL 28 46.778 17.097 12.869 231 H ASP 29 H ASP 29 46.572 13.865 17.295 232 HA ASP 29 HA ASP 29 43.718 13.093 17.301 233 HB2 ASP 29 HB2 ASP 29 45.180 11.084 17.607 234 HB3 ASP 29 HB3 ASP 29 45.868 11.850 19.036 235 H TYR 30 H TYR 30 42.540 14.303 18.699 236 HA TYR 30 HA TYR 30 44.028 15.982 20.639 237 HB2 TYR 30 HB2 TYR 30 42.182 17.559 20.469 238 HB3 TYR 30 HB3 TYR 30 42.908 17.260 18.902 239 HD1 TYR 30 HD1 TYR 30 39.913 16.928 20.969 240 HD2 TYR 30 HD2 TYR 30 41.705 15.939 17.192 241 HE1 TYR 30 HE1 TYR 30 37.679 16.339 20.064 242 HE2 TYR 30 HE2 TYR 30 39.471 15.351 16.287 243 HH TYR 30 HH TYR 30 37.114 14.585 17.615 244 H LEU 31 H LEU 31 43.509 15.904 22.758 245 HA LEU 31 HA LEU 31 41.409 13.985 23.553 246 HB2 LEU 31 HB2 LEU 31 43.728 13.337 24.117 247 HB3 LEU 31 HB3 LEU 31 43.901 14.822 25.048 248 HG LEU 31 HG LEU 31 41.719 13.936 26.274 249 HD11 LEU 31 HD11 LEU 31 42.051 11.361 26.449 250 HD12 LEU 31 HD12 LEU 31 42.862 11.521 24.890 251 HD13 LEU 31 HD13 LEU 31 41.173 12.004 25.060 252 HD21 LEU 31 HD21 LEU 31 43.130 12.938 27.960 253 HD22 LEU 31 HD22 LEU 31 44.034 14.267 27.233 254 HD23 LEU 31 HD23 LEU 31 44.393 12.602 26.776 255 HA PRO 32 HA PRO 32 39.726 17.742 25.539 256 HB2 PRO 32 HB2 PRO 32 37.643 16.619 26.904 257 HB3 PRO 32 HB3 PRO 32 37.578 16.999 25.170 258 HG2 PRO 32 HG2 PRO 32 38.011 14.395 26.521 259 HG3 PRO 32 HG3 PRO 32 37.114 14.767 25.039 260 HD2 PRO 32 HD2 PRO 32 39.642 13.689 25.040 261 HD3 PRO 32 HD3 PRO 32 38.990 14.672 23.713 262 H LEU 33 H LEU 33 40.105 18.694 27.492 263 HA LEU 33 HA LEU 33 41.917 17.480 29.250 264 HB2 LEU 33 HB2 LEU 33 40.319 20.011 29.288 265 HB3 LEU 33 HB3 LEU 33 41.171 19.518 30.752 266 HG LEU 33 HG LEU 33 42.541 19.635 28.057 267 HD11 LEU 33 HD11 LEU 33 41.870 21.901 28.415 268 HD12 LEU 33 HD12 LEU 33 43.538 21.800 28.983 269 HD13 LEU 33 HD13 LEU 33 42.208 21.802 30.145 270 HD21 LEU 33 HD21 LEU 33 43.839 18.366 29.528 271 HD22 LEU 33 HD22 LEU 33 43.347 19.309 30.934 272 HD23 LEU 33 HD23 LEU 33 44.491 19.984 29.774 273 H ASP 34 H ASP 34 38.582 16.902 29.155 274 HA ASP 34 HA ASP 34 38.135 16.705 31.982 275 HB2 ASP 34 HB2 ASP 34 36.551 15.681 29.624 276 HB3 ASP 34 HB3 ASP 34 36.004 15.625 31.298 277 H TYR 35 H TYR 35 39.868 14.644 29.904 278 HA TYR 35 HA TYR 35 38.945 12.131 30.804 279 HB2 TYR 35 HB2 TYR 35 41.346 13.125 29.375 280 HB3 TYR 35 HB3 TYR 35 41.486 11.553 30.137 281 HD1 TYR 35 HD1 TYR 35 40.793 9.665 28.979 282 HD2 TYR 35 HD2 TYR 35 39.205 13.501 27.879 283 HE1 TYR 35 HE1 TYR 35 39.623 8.626 27.057 284 HE2 TYR 35 HE2 TYR 35 38.034 12.462 25.955 285 HH TYR 35 HH TYR 35 38.163 10.463 24.610 286 HA PRO 36 HA PRO 36 40.850 12.163 34.835 287 HB2 PRO 36 HB2 PRO 36 40.722 9.563 35.539 288 HB3 PRO 36 HB3 PRO 36 39.264 10.563 35.378 289 HG2 PRO 36 HG2 PRO 36 40.390 8.551 33.503 290 HG3 PRO 36 HG3 PRO 36 38.701 8.892 33.917 291 HD2 PRO 36 HD2 PRO 36 39.957 9.817 31.626 292 HD3 PRO 36 HD3 PRO 36 38.518 10.555 32.354 293 H ALA 37 H ALA 37 42.709 11.473 36.056 294 HA ALA 37 HA ALA 37 45.102 11.408 34.653 295 HB1 ALA 37 HB1 ALA 37 45.327 12.048 36.875 296 HB2 ALA 37 HB2 ALA 37 45.987 10.411 36.906 297 HB3 ALA 37 HB3 ALA 37 44.341 10.710 37.466 298 H GLY 38 H GLY 38 46.673 9.781 34.316 299 HA2 GLY 38 HA2 GLY 38 47.408 7.536 34.155 300 HA3 GLY 38 HA3 GLY 38 45.761 6.997 34.462 301 H GLU 39 H GLU 39 44.494 8.713 32.478 302 HA GLU 39 HA GLU 39 44.608 6.925 30.302 303 HB2 GLU 39 HB2 GLU 39 43.494 9.732 30.472 304 HB3 GLU 39 HB3 GLU 39 43.237 8.640 29.110 305 HG2 GLU 39 HG2 GLU 39 42.466 8.063 31.984 306 HG3 GLU 39 HG3 GLU 39 41.356 8.556 30.714 307 H LEU 40 H LEU 40 46.247 10.002 30.886 308 HA LEU 40 HA LEU 40 47.117 10.508 28.260 309 HB2 LEU 40 HB2 LEU 40 47.265 12.127 30.148 310 HB3 LEU 40 HB3 LEU 40 48.566 11.158 30.839 311 HG LEU 40 HG LEU 40 49.795 11.444 28.628 312 HD11 LEU 40 HD11 LEU 40 49.032 13.510 27.348 313 HD12 LEU 40 HD12 LEU 40 47.517 13.399 28.244 314 HD13 LEU 40 HD13 LEU 40 48.004 12.088 27.170 315 HD21 LEU 40 HD21 LEU 40 50.219 12.776 30.740 316 HD22 LEU 40 HD22 LEU 40 49.167 14.028 30.081 317 HD23 LEU 40 HD23 LEU 40 50.663 13.607 29.250 318 H LEU 41 H LEU 41 48.639 8.686 30.907 319 HA LEU 41 HA LEU 41 51.071 8.153 29.573 320 HB2 LEU 41 HB2 LEU 41 50.649 7.885 32.035 321 HB3 LEU 41 HB3 LEU 41 49.729 6.428 31.665 322 HG LEU 41 HG LEU 41 51.907 5.752 30.333 323 HD11 LEU 41 HD11 LEU 41 52.822 7.915 32.225 324 HD12 LEU 41 HD12 LEU 41 53.208 7.716 30.516 325 HD13 LEU 41 HD13 LEU 41 53.907 6.624 31.711 326 HD21 LEU 41 HD21 LEU 41 51.313 5.605 33.270 327 HD22 LEU 41 HD22 LEU 41 52.857 4.983 32.689 328 HD23 LEU 41 HD23 LEU 41 51.349 4.315 32.069 329 H ALA 42 H ALA 42 48.063 6.266 29.822 330 HA ALA 42 HA ALA 42 49.036 3.959 28.532 331 HB1 ALA 42 HB1 ALA 42 46.184 4.967 28.511 332 HB2 ALA 42 HB2 ALA 42 46.914 4.098 29.860 333 HB3 ALA 42 HB3 ALA 42 46.723 3.302 28.298 334 H ARG 43 H ARG 43 47.363 6.812 27.238 335 HA ARG 43 HA ARG 43 47.132 5.900 24.584 336 HB2 ARG 43 HB2 ARG 43 45.947 7.885 25.511 337 HB3 ARG 43 HB3 ARG 43 47.479 8.758 25.521 338 HG2 ARG 43 HG2 ARG 43 47.680 8.365 23.066 339 HG3 ARG 43 HG3 ARG 43 46.091 7.599 23.085 340 HD2 ARG 43 HD2 ARG 43 46.670 10.450 23.939 341 HD3 ARG 43 HD3 ARG 43 45.939 9.972 22.408 342 HE ARG 43 HE ARG 43 44.623 10.159 24.944 343 HH11 ARG 43 HH11 ARG 43 44.593 8.351 21.935 344 HH12 ARG 43 HH12 ARG 43 42.926 7.911 22.100 345 HH21 ARG 43 HH21 ARG 43 42.480 9.559 25.102 346 HH22 ARG 43 HH22 ARG 43 41.745 8.589 23.870 347 H VAL 44 H VAL 44 49.751 7.645 26.234 348 HA VAL 44 HA VAL 44 51.268 8.226 23.938 349 HB VAL 44 HB VAL 44 52.181 7.760 26.790 350 HG11 VAL 44 HG11 VAL 44 53.584 9.066 24.437 351 HG12 VAL 44 HG12 VAL 44 54.102 7.620 25.301 352 HG13 VAL 44 HG13 VAL 44 54.130 9.186 26.110 353 HG21 VAL 44 HG21 VAL 44 50.448 9.633 26.090 354 HG22 VAL 44 HG22 VAL 44 51.882 10.442 25.471 355 HG23 VAL 44 HG23 VAL 44 51.777 10.017 27.178 356 H ARG 45 H ARG 45 51.352 5.420 26.129 357 HA ARG 45 HA ARG 45 53.568 4.186 24.825 358 HB2 ARG 45 HB2 ARG 45 51.450 2.959 26.600 359 HB3 ARG 45 HB3 ARG 45 52.982 2.209 26.162 360 HG2 ARG 45 HG2 ARG 45 52.754 4.866 27.602 361 HG3 ARG 45 HG3 ARG 45 53.000 3.324 28.418 362 HD2 ARG 45 HD2 ARG 45 55.069 2.995 27.026 363 HD3 ARG 45 HD3 ARG 45 54.852 4.628 26.405 364 HE ARG 45 HE ARG 45 54.841 5.075 29.044 365 HH11 ARG 45 HH11 ARG 45 57.027 3.127 27.105 366 HH12 ARG 45 HH12 ARG 45 58.367 3.391 28.170 367 HH21 ARG 45 HH21 ARG 45 56.606 5.380 30.377 368 HH22 ARG 45 HH22 ARG 45 58.130 4.651 29.997 369 H ALA 46 H ALA 46 50.055 3.598 24.602 370 HA ALA 46 HA ALA 46 50.309 1.318 22.935 371 HB1 ALA 46 HB1 ALA 46 48.061 3.137 23.711 372 HB2 ALA 46 HB2 ALA 46 48.263 1.412 24.018 373 HB3 ALA 46 HB3 ALA 46 47.825 1.975 22.406 374 H GLU 47 H GLU 47 49.631 4.741 22.203 375 HA GLU 47 HA GLU 47 49.468 4.231 19.370 376 HB2 GLU 47 HB2 GLU 47 49.582 6.812 20.935 377 HB3 GLU 47 HB3 GLU 47 49.283 6.696 19.200 378 HG2 GLU 47 HG2 GLU 47 47.315 5.248 19.667 379 HG3 GLU 47 HG3 GLU 47 47.589 5.464 21.390 380 H ARG 48 H ARG 48 52.134 4.596 21.456 381 HA ARG 48 HA ARG 48 54.354 5.080 21.122 382 HB2 ARG 48 HB2 ARG 48 53.592 4.328 18.289 383 HB3 ARG 48 HB3 ARG 48 55.249 4.520 18.862 384 HG2 ARG 48 HG2 ARG 48 54.801 2.782 20.603 385 HG3 ARG 48 HG3 ARG 48 53.208 2.529 19.889 386 HD2 ARG 48 HD2 ARG 48 55.872 2.141 18.496 387 HD3 ARG 48 HD3 ARG 48 54.780 0.865 19.024 388 HE ARG 48 HE ARG 48 54.481 2.561 16.685 389 HH11 ARG 48 HH11 ARG 48 52.845 0.377 18.894 390 HH12 ARG 48 HH12 ARG 48 51.581 0.022 17.764 391 HH21 ARG 48 HH21 ARG 48 52.828 2.065 15.273 392 HH22 ARG 48 HH22 ARG 48 51.573 0.966 15.740 393 H LEU 49 H LEU 49 53.134 7.316 21.504 394 HA LEU 49 HA LEU 49 53.026 9.111 19.271 395 HB2 LEU 49 HB2 LEU 49 52.952 9.664 22.247 396 HB3 LEU 49 HB3 LEU 49 52.617 10.853 20.990 397 HG LEU 49 HG LEU 49 51.090 8.255 21.316 398 HD11 LEU 49 HD11 LEU 49 49.975 10.978 21.929 399 HD12 LEU 49 HD12 LEU 49 50.923 10.140 23.154 400 HD13 LEU 49 HD13 LEU 49 49.452 9.402 22.521 401 HD21 LEU 49 HD21 LEU 49 50.793 8.921 19.091 402 HD22 LEU 49 HD22 LEU 49 50.934 10.635 19.482 403 HD23 LEU 49 HD23 LEU 49 49.458 9.756 19.886 404 H ASN 50 H ASN 50 54.335 10.819 18.762 405 HA ASN 50 HA ASN 50 57.134 10.532 19.573 406 HB2 ASN 50 HB2 ASN 50 55.817 12.146 17.381 407 HB3 ASN 50 HB3 ASN 50 57.550 12.109 17.691 408 HD21 ASN 50 HD21 ASN 50 58.717 10.452 16.695 409 HD22 ASN 50 HD22 ASN 50 58.010 9.121 15.917 410 H GLY 51 H GLY 51 54.488 12.913 19.543 411 HA2 GLY 51 HA2 GLY 51 56.037 14.578 21.405 412 HA3 GLY 51 HA3 GLY 51 55.629 15.299 19.858 413 H LEU 52 H LEU 52 54.888 16.469 22.166 414 HA LEU 52 HA LEU 52 51.943 16.154 22.175 415 HB2 LEU 52 HB2 LEU 52 53.675 16.900 24.548 416 HB3 LEU 52 HB3 LEU 52 51.920 16.745 24.545 417 HG LEU 52 HG LEU 52 53.844 14.491 23.899 418 HD11 LEU 52 HD11 LEU 52 53.270 13.612 26.105 419 HD12 LEU 52 HD12 LEU 52 52.192 14.978 26.398 420 HD13 LEU 52 HD13 LEU 52 53.933 15.237 26.282 421 HD21 LEU 52 HD21 LEU 52 51.706 14.167 22.814 422 HD22 LEU 52 HD22 LEU 52 50.838 14.642 24.274 423 HD23 LEU 52 HD23 LEU 52 51.739 13.127 24.237 424 H VAL 53 H VAL 53 50.768 18.075 22.123 425 HA VAL 53 HA VAL 53 52.342 20.586 21.953 426 HB VAL 53 HB VAL 53 49.853 19.861 20.379 427 HG11 VAL 53 HG11 VAL 53 50.289 21.959 19.179 428 HG12 VAL 53 HG12 VAL 53 51.692 22.269 20.202 429 HG13 VAL 53 HG13 VAL 53 50.073 22.277 20.901 430 HG21 VAL 53 HG21 VAL 53 52.572 20.371 19.195 431 HG22 VAL 53 HG22 VAL 53 51.204 19.506 18.500 432 HG23 VAL 53 HG23 VAL 53 52.161 18.757 19.774 433 H VAL 54 H VAL 54 51.684 22.209 23.278 434 HA VAL 54 HA VAL 54 48.961 22.012 24.452 435 HB VAL 54 HB VAL 54 49.895 23.452 26.322 436 HG11 VAL 54 HG11 VAL 54 49.352 21.297 26.943 437 HG12 VAL 54 HG12 VAL 54 51.073 21.339 27.330 438 HG13 VAL 54 HG13 VAL 54 50.520 20.563 25.844 439 HG21 VAL 54 HG21 VAL 54 52.085 23.858 24.957 440 HG22 VAL 54 HG22 VAL 54 52.569 22.282 25.586 441 HG23 VAL 54 HG23 VAL 54 52.200 23.601 26.698 442 H SER 55 H SER 55 47.621 23.567 23.977 443 HA SER 55 HA SER 55 48.341 25.793 22.361 444 HB2 SER 55 HB2 SER 55 45.810 25.328 23.948 445 HB3 SER 55 HB3 SER 55 46.016 26.481 22.634 446 HG SER 55 HG SER 55 46.134 24.825 21.269 447 H SER 56 H SER 56 48.031 25.351 25.850 448 HA SER 56 HA SER 56 48.955 28.068 26.295 449 HB2 SER 56 HB2 SER 56 47.049 28.834 27.544 450 HB3 SER 56 HB3 SER 56 46.481 28.290 25.969 451 HG SER 56 HG SER 56 45.677 26.529 26.930 452 H GLY 57 H GLY 57 49.192 28.555 28.637 453 HA2 GLY 57 HA2 GLY 57 50.667 26.598 29.966 454 HA3 GLY 57 HA3 GLY 57 49.985 28.028 30.732 455 H GLN 58 H GLN 58 47.215 27.389 30.202 456 HA GLN 58 HA GLN 58 46.622 25.947 32.536 457 HB2 GLN 58 HB2 GLN 58 45.071 27.529 31.385 458 HB3 GLN 58 HB3 GLN 58 44.820 26.313 30.131 459 HG2 GLN 58 HG2 GLN 58 43.978 24.730 31.805 460 HG3 GLN 58 HG3 GLN 58 44.271 25.903 33.084 461 HE21 GLN 58 HE21 GLN 58 41.685 25.009 32.888 462 HE22 GLN 58 HE22 GLN 58 40.683 26.192 32.197 463 H GLY 59 H GLY 59 46.533 24.898 29.124 464 HA2 GLY 59 HA2 GLY 59 45.735 22.248 29.580 465 HA3 GLY 59 HA3 GLY 59 46.651 22.805 28.183 466 H LEU 60 H LEU 60 48.965 23.723 29.488 467 HA LEU 60 HA LEU 60 50.500 21.388 29.592 468 HB2 LEU 60 HB2 LEU 60 51.391 23.663 29.166 469 HB3 LEU 60 HB3 LEU 60 51.114 24.070 30.859 470 HG LEU 60 HG LEU 60 52.596 22.107 31.472 471 HD11 LEU 60 HD11 LEU 60 52.570 20.783 29.497 472 HD12 LEU 60 HD12 LEU 60 54.192 21.475 29.562 473 HD13 LEU 60 HD13 LEU 60 52.983 22.162 28.476 474 HD21 LEU 60 HD21 LEU 60 54.514 23.428 31.376 475 HD22 LEU 60 HD22 LEU 60 53.257 24.640 31.140 476 HD23 LEU 60 HD23 LEU 60 54.152 24.017 29.754 477 H GLN 61 H GLN 61 49.206 23.379 32.235 478 HA GLN 61 HA GLN 61 50.390 21.931 34.350 479 HB2 GLN 61 HB2 GLN 61 47.834 23.553 34.315 480 HB3 GLN 61 HB3 GLN 61 48.655 22.993 35.771 481 HG2 GLN 61 HG2 GLN 61 49.848 24.828 33.671 482 HG3 GLN 61 HG3 GLN 61 49.260 25.329 35.254 483 HE21 GLN 61 HE21 GLN 61 52.104 24.904 33.765 484 HE22 GLN 61 HE22 GLN 61 53.040 24.274 35.033 485 H ASN 62 H ASN 62 47.198 21.645 32.817 486 HA ASN 62 HA ASN 62 46.179 19.576 34.416 487 HB2 ASN 62 HB2 ASN 62 45.704 20.072 31.474 488 HB3 ASN 62 HB3 ASN 62 44.678 19.116 32.542 489 HD21 ASN 62 HD21 ASN 62 44.306 21.826 31.033 490 HD22 ASN 62 HD22 ASN 62 43.678 22.849 32.234 491 H LEU 63 H LEU 63 48.204 19.479 31.509 492 HA LEU 63 HA LEU 63 48.211 16.729 31.022 493 HB2 LEU 63 HB2 LEU 63 49.216 18.483 29.547 494 HB3 LEU 63 HB3 LEU 63 50.541 18.637 30.698 495 HG LEU 63 HG LEU 63 50.763 16.038 30.383 496 HD11 LEU 63 HD11 LEU 63 48.679 15.815 29.067 497 HD12 LEU 63 HD12 LEU 63 50.085 15.293 28.139 498 HD13 LEU 63 HD13 LEU 63 49.358 16.869 27.826 499 HD21 LEU 63 HD21 LEU 63 52.134 16.520 28.247 500 HD22 LEU 63 HD22 LEU 63 52.560 17.428 29.698 501 HD23 LEU 63 HD23 LEU 63 51.594 18.189 28.431 502 H TYR 64 H TYR 64 50.236 18.688 33.164 503 HA TYR 64 HA TYR 64 51.982 16.693 34.069 504 HB2 TYR 64 HB2 TYR 64 52.147 19.163 34.482 505 HB3 TYR 64 HB3 TYR 64 50.869 18.998 35.670 506 HD1 TYR 64 HD1 TYR 64 51.286 17.921 37.828 507 HD2 TYR 64 HD2 TYR 64 54.390 18.310 34.881 508 HE1 TYR 64 HE1 TYR 64 52.992 17.380 39.547 509 HE2 TYR 64 HE2 TYR 64 56.082 17.773 36.590 510 HH TYR 64 HH TYR 64 55.712 16.345 39.145 511 H GLN 65 H GLN 65 48.840 17.752 35.333 512 HA GLN 65 HA GLN 65 48.783 16.082 37.599 513 HB2 GLN 65 HB2 GLN 65 46.509 17.200 35.945 514 HB3 GLN 65 HB3 GLN 65 46.314 16.435 37.522 515 HG2 GLN 65 HG2 GLN 65 47.758 18.115 38.553 516 HG3 GLN 65 HG3 GLN 65 48.057 18.855 36.983 517 HE21 GLN 65 HE21 GLN 65 46.901 20.341 39.142 518 HE22 GLN 65 HE22 GLN 65 45.300 20.725 38.727 519 H LEU 66 H LEU 66 47.582 15.548 34.302 520 HA LEU 66 HA LEU 66 46.456 12.999 34.828 521 HB2 LEU 66 HB2 LEU 66 47.405 14.224 32.227 522 HB3 LEU 66 HB3 LEU 66 46.495 12.719 32.344 523 HG LEU 66 HG LEU 66 45.520 15.384 33.419 524 HD11 LEU 66 HD11 LEU 66 45.423 15.708 31.104 525 HD12 LEU 66 HD12 LEU 66 43.848 14.978 31.420 526 HD13 LEU 66 HD13 LEU 66 45.164 13.996 30.776 527 HD21 LEU 66 HD21 LEU 66 44.304 12.626 33.141 528 HD22 LEU 66 HD22 LEU 66 43.313 14.072 33.345 529 HD23 LEU 66 HD23 LEU 66 44.457 13.603 34.602 530 H ALA 67 H ALA 67 49.687 14.001 33.827 531 HA ALA 67 HA ALA 67 50.759 11.492 33.191 532 HB1 ALA 67 HB1 ALA 67 52.945 12.539 33.864 533 HB2 ALA 67 HB2 ALA 67 52.036 13.940 34.425 534 HB3 ALA 67 HB3 ALA 67 52.008 13.497 32.719 535 H ALA 68 H ALA 68 50.428 13.144 36.318 536 HA ALA 68 HA ALA 68 50.373 12.305 38.452 537 HB1 ALA 68 HB1 ALA 68 50.042 9.499 37.532 538 HB2 ALA 68 HB2 ALA 68 48.842 10.649 36.943 539 HB3 ALA 68 HB3 ALA 68 49.081 10.431 38.678 540 H ALA 69 H ALA 69 51.404 9.346 38.916 541 HA ALA 69 HA ALA 69 53.934 10.158 39.830 542 HB1 ALA 69 HB1 ALA 69 52.473 8.188 40.592 543 HB2 ALA 69 HB2 ALA 69 54.218 7.938 40.543 544 HB3 ALA 69 HB3 ALA 69 53.199 7.298 39.254 545 H ASP 70 H ASP 70 52.976 9.188 36.641 546 HA ASP 70 HA ASP 70 55.639 8.154 35.987 547 HB2 ASP 70 HB2 ASP 70 53.080 8.294 34.393 548 HB3 ASP 70 HB3 ASP 70 54.593 7.616 33.792 549 H TRP 71 H TRP 71 54.642 11.213 36.279 550 HA TRP 71 HA TRP 71 55.041 12.536 33.918 551 HB2 TRP 71 HB2 TRP 71 54.402 13.748 35.835 552 HB3 TRP 71 HB3 TRP 71 55.827 13.271 36.722 553 HD1 TRP 71 HD1 TRP 71 57.579 15.068 36.903 554 HE1 TRP 71 HE1 TRP 71 58.209 17.183 35.576 555 HE3 TRP 71 HE3 TRP 71 54.278 14.712 33.017 556 HZ2 TRP 71 HZ2 TRP 71 57.449 18.534 33.180 557 HZ3 TRP 71 HZ3 TRP 71 54.261 16.421 31.227 558 HH2 TRP 71 HH2 TRP 71 55.841 18.332 31.300 559 HA PRO 72 HA PRO 72 59.966 12.426 34.718 560 HB2 PRO 72 HB2 PRO 72 59.868 9.520 35.443 561 HB3 PRO 72 HB3 PRO 72 61.054 10.758 35.903 562 HG2 PRO 72 HG2 PRO 72 59.165 9.940 37.590 563 HG3 PRO 72 HG3 PRO 72 59.724 11.622 37.551 564 HD2 PRO 72 HD2 PRO 72 57.140 10.498 36.654 565 HD3 PRO 72 HD3 PRO 72 57.544 12.157 37.140 566 H GLU 73 H GLU 73 57.966 9.665 33.630 567 HA GLU 73 HA GLU 73 59.775 9.018 31.469 568 HB2 GLU 73 HB2 GLU 73 56.965 8.081 32.099 569 HB3 GLU 73 HB3 GLU 73 57.985 7.420 30.820 570 HG2 GLU 73 HG2 GLU 73 59.704 6.844 32.519 571 HG3 GLU 73 HG3 GLU 73 58.634 7.441 33.780 572 H ILE 74 H ILE 74 56.540 10.465 31.746 573 HA ILE 74 HA ILE 74 56.066 10.821 29.002 574 HB ILE 74 HB ILE 74 55.035 12.408 31.370 575 HG12 ILE 74 HG12 ILE 74 53.755 10.128 29.837 576 HG13 ILE 74 HG13 ILE 74 54.668 9.895 31.324 577 HG21 ILE 74 HG21 ILE 74 53.218 13.105 29.934 578 HG22 ILE 74 HG22 ILE 74 53.825 12.119 28.603 579 HG23 ILE 74 HG23 ILE 74 54.727 13.538 29.134 580 HD11 ILE 74 HD11 ILE 74 52.511 11.957 31.384 581 HD12 ILE 74 HD12 ILE 74 53.040 10.838 32.638 582 HD13 ILE 74 HD13 ILE 74 52.012 10.267 31.326 583 H GLY 75 H GLY 75 57.733 12.862 31.332 584 HA2 GLY 75 HA2 GLY 75 57.811 15.253 29.858 585 HA3 GLY 75 HA3 GLY 75 58.907 14.816 31.158 586 H ARG 76 H ARG 76 59.508 12.326 29.299 587 HA ARG 76 HA ARG 76 61.935 13.334 28.245 588 HB2 ARG 76 HB2 ARG 76 60.446 10.759 27.703 589 HB3 ARG 76 HB3 ARG 76 62.107 11.088 27.198 590 HG2 ARG 76 HG2 ARG 76 62.702 11.530 29.574 591 HG3 ARG 76 HG3 ARG 76 61.070 11.067 30.047 592 HD2 ARG 76 HD2 ARG 76 63.111 9.310 28.663 593 HD3 ARG 76 HD3 ARG 76 62.581 9.183 30.338 594 HE ARG 76 HE ARG 76 60.296 9.009 28.744 595 HH11 ARG 76 HH11 ARG 76 63.215 7.124 29.251 596 HH12 ARG 76 HH12 ARG 76 62.445 5.633 28.823 597 HH21 ARG 76 HH21 ARG 76 59.361 7.058 28.203 598 HH22 ARG 76 HH22 ARG 76 60.291 5.597 28.236 599 H LEU 77 H LEU 77 58.718 13.056 26.881 600 HA LEU 77 HA LEU 77 59.595 12.984 24.154 601 HB2 LEU 77 HB2 LEU 77 56.885 13.513 25.383 602 HB3 LEU 77 HB3 LEU 77 57.171 13.362 23.648 603 HG LEU 77 HG LEU 77 58.110 11.214 25.537 604 HD11 LEU 77 HD11 LEU 77 55.368 11.389 24.250 605 HD12 LEU 77 HD12 LEU 77 55.688 11.609 25.970 606 HD13 LEU 77 HD13 LEU 77 55.983 10.045 25.211 607 HD21 LEU 77 HD21 LEU 77 58.840 11.316 23.125 608 HD22 LEU 77 HD22 LEU 77 57.149 11.128 22.661 609 HD23 LEU 77 HD23 LEU 77 57.970 9.840 23.544 610 HA PRO 78 HA PRO 78 60.096 17.384 23.434 611 HB2 PRO 78 HB2 PRO 78 58.982 17.592 20.882 612 HB3 PRO 78 HB3 PRO 78 60.654 17.117 21.234 613 HG2 PRO 78 HG2 PRO 78 58.301 15.422 20.607 614 HG3 PRO 78 HG3 PRO 78 59.995 15.241 20.111 615 HD2 PRO 78 HD2 PRO 78 58.956 13.720 22.077 616 HD3 PRO 78 HD3 PRO 78 60.638 14.288 22.136 617 H LEU 79 H LEU 79 58.866 18.966 24.283 618 HA LEU 79 HA LEU 79 55.940 18.895 23.867 619 HB2 LEU 79 HB2 LEU 79 56.795 18.971 26.211 620 HB3 LEU 79 HB3 LEU 79 57.539 20.529 25.851 621 HG LEU 79 HG LEU 79 55.236 21.336 25.134 622 HD11 LEU 79 HD11 LEU 79 53.373 19.963 26.267 623 HD12 LEU 79 HD12 LEU 79 54.545 18.647 26.323 624 HD13 LEU 79 HD13 LEU 79 54.043 19.316 24.770 625 HD21 LEU 79 HD21 LEU 79 56.422 21.570 27.471 626 HD22 LEU 79 HD22 LEU 79 55.166 20.453 28.006 627 HD23 LEU 79 HD23 LEU 79 54.723 22.012 27.311 628 H PHE 80 H PHE 80 55.083 20.263 22.449 629 HA PHE 80 HA PHE 80 56.647 22.499 21.384 630 HB2 PHE 80 HB2 PHE 80 53.943 21.356 20.668 631 HB3 PHE 80 HB3 PHE 80 54.642 22.755 19.891 632 HD1 PHE 80 HD1 PHE 80 54.219 19.261 19.754 633 HD2 PHE 80 HD2 PHE 80 57.054 22.353 18.827 634 HE1 PHE 80 HE1 PHE 80 55.305 17.767 18.102 635 HE2 PHE 80 HE2 PHE 80 58.144 20.854 17.175 636 HZ PHE 80 HZ PHE 80 57.257 18.566 16.803 637 H VAL 81 H VAL 81 56.392 24.526 22.176 638 HA VAL 81 HA VAL 81 53.835 25.204 23.510 639 HB VAL 81 HB VAL 81 55.071 26.811 24.866 640 HG11 VAL 81 HG11 VAL 81 54.822 24.377 25.527 641 HG12 VAL 81 HG12 VAL 81 56.158 25.227 26.303 642 HG13 VAL 81 HG13 VAL 81 56.473 24.131 24.957 643 HG21 VAL 81 HG21 VAL 81 57.710 26.372 24.729 644 HG22 VAL 81 HG22 VAL 81 56.921 27.581 23.716 645 HG23 VAL 81 HG23 VAL 81 57.309 25.995 23.056 646 HA PRO 82 HA PRO 82 53.448 28.153 20.259 647 HB2 PRO 82 HB2 PRO 82 51.555 29.826 21.211 648 HB3 PRO 82 HB3 PRO 82 51.199 28.141 20.780 649 HG2 PRO 82 HG2 PRO 82 51.574 29.369 23.451 650 HG3 PRO 82 HG3 PRO 82 50.482 28.068 22.944 651 HD2 PRO 82 HD2 PRO 82 52.914 27.693 24.256 652 HD3 PRO 82 HD3 PRO 82 52.041 26.448 23.341 653 H SER 83 H SER 83 54.453 29.292 23.403 654 HA SER 83 HA SER 83 55.530 31.742 22.195 655 HB2 SER 83 HB2 SER 83 54.471 33.216 23.713 656 HB3 SER 83 HB3 SER 83 53.190 32.150 23.147 657 HG SER 83 HG SER 83 53.086 32.153 25.327 658 HA PRO 84 HA PRO 84 58.969 31.150 24.937 659 HB2 PRO 84 HB2 PRO 84 58.685 33.939 25.937 660 HB3 PRO 84 HB3 PRO 84 60.084 33.142 25.195 661 HG2 PRO 84 HG2 PRO 84 58.642 34.938 23.869 662 HG3 PRO 84 HG3 PRO 84 59.346 33.526 23.060 663 HD2 PRO 84 HD2 PRO 84 56.501 34.016 23.843 664 HD3 PRO 84 HD3 PRO 84 57.152 33.151 22.432 665 H ARG 85 H ARG 85 56.315 33.054 26.391 666 HA ARG 85 HA ARG 85 56.915 32.561 29.081 667 HB2 ARG 85 HB2 ARG 85 55.240 34.216 28.261 668 HB3 ARG 85 HB3 ARG 85 54.157 32.877 27.875 669 HG2 ARG 85 HG2 ARG 85 54.232 32.156 30.251 670 HG3 ARG 85 HG3 ARG 85 55.252 33.546 30.623 671 HD2 ARG 85 HD2 ARG 85 53.449 35.045 29.763 672 HD3 ARG 85 HD3 ARG 85 52.425 33.630 29.539 673 HE ARG 85 HE ARG 85 53.323 33.590 32.184 674 HH11 ARG 85 HH11 ARG 85 51.300 35.649 30.184 675 HH12 ARG 85 HH12 ARG 85 50.353 36.193 31.528 676 HH21 ARG 85 HH21 ARG 85 52.068 34.325 33.875 677 HH22 ARG 85 HH22 ARG 85 50.783 35.452 33.591 678 H VAL 86 H VAL 86 54.747 30.758 26.885 679 HA VAL 86 HA VAL 86 53.989 28.778 28.732 680 HB VAL 86 HB VAL 86 54.270 28.545 25.725 681 HG11 VAL 86 HG11 VAL 86 54.014 26.339 26.617 682 HG12 VAL 86 HG12 VAL 86 52.402 26.832 26.101 683 HG13 VAL 86 HG13 VAL 86 52.835 26.883 27.810 684 HG21 VAL 86 HG21 VAL 86 51.822 29.201 27.386 685 HG22 VAL 86 HG22 VAL 86 51.961 29.235 25.628 686 HG23 VAL 86 HG23 VAL 86 52.821 30.425 26.605 687 H ALA 87 H ALA 87 56.771 28.981 26.542 688 HA ALA 87 HA ALA 87 57.816 26.413 26.899 689 HB1 ALA 87 HB1 ALA 87 58.577 28.447 25.394 690 HB2 ALA 87 HB2 ALA 87 59.742 27.224 25.904 691 HB3 ALA 87 HB3 ALA 87 59.657 28.768 26.751 692 H GLU 88 H GLU 88 58.243 29.353 28.832 693 HA GLU 88 HA GLU 88 60.135 28.345 30.655 694 HB2 GLU 88 HB2 GLU 88 57.983 30.438 31.054 695 HB3 GLU 88 HB3 GLU 88 59.319 30.145 32.168 696 HG2 GLU 88 HG2 GLU 88 60.921 30.600 30.321 697 HG3 GLU 88 HG3 GLU 88 59.568 30.974 29.264 698 H MET 89 H MET 89 56.586 28.257 30.689 699 HA MET 89 HA MET 89 56.212 27.135 33.232 700 HB2 MET 89 HB2 MET 89 54.625 26.685 30.688 701 HB3 MET 89 HB3 MET 89 54.070 26.274 32.307 702 HG2 MET 89 HG2 MET 89 54.816 29.060 31.371 703 HG3 MET 89 HG3 MET 89 53.171 28.458 31.552 704 HE1 MET 89 HE1 MET 89 53.450 26.702 34.454 705 HE2 MET 89 HE2 MET 89 52.228 27.509 33.475 706 HE3 MET 89 HE3 MET 89 52.498 28.025 35.139 707 H ALA 90 H ALA 90 56.765 25.589 30.095 708 HA ALA 90 HA ALA 90 56.500 22.917 30.940 709 HB1 ALA 90 HB1 ALA 90 56.498 23.526 28.579 710 HB2 ALA 90 HB2 ALA 90 57.787 22.364 28.895 711 HB3 ALA 90 HB3 ALA 90 58.169 24.074 28.696 712 H ARG 91 H ARG 91 59.341 25.032 30.763 713 HA ARG 91 HA ARG 91 61.261 23.107 31.489 714 HB2 ARG 91 HB2 ARG 91 61.785 25.354 30.544 715 HB3 ARG 91 HB3 ARG 91 61.323 26.075 32.086 716 HG2 ARG 91 HG2 ARG 91 63.054 24.705 33.224 717 HG3 ARG 91 HG3 ARG 91 63.546 24.056 31.659 718 HD2 ARG 91 HD2 ARG 91 64.017 26.384 30.888 719 HD3 ARG 91 HD3 ARG 91 63.639 26.963 32.508 720 HE ARG 91 HE ARG 91 65.550 25.022 32.888 721 HH11 ARG 91 HH11 ARG 91 65.423 27.992 31.020 722 HH12 ARG 91 HH12 ARG 91 67.128 28.263 31.149 723 HH21 ARG 91 HH21 ARG 91 67.740 25.425 33.021 724 HH22 ARG 91 HH22 ARG 91 68.423 26.827 32.268 725 H GLU 92 H GLU 92 59.307 25.315 33.475 726 HA GLU 92 HA GLU 92 60.559 24.813 35.934 727 HB2 GLU 92 HB2 GLU 92 58.918 26.643 35.484 728 HB3 GLU 92 HB3 GLU 92 57.631 25.436 35.498 729 HG2 GLU 92 HG2 GLU 92 58.318 24.777 37.798 730 HG3 GLU 92 HG3 GLU 92 59.522 26.059 37.783 731 H LEU 93 H LEU 93 57.946 23.082 34.283 732 HA LEU 93 HA LEU 93 57.374 21.294 36.410 733 HB2 LEU 93 HB2 LEU 93 57.026 20.846 33.440 734 HB3 LEU 93 HB3 LEU 93 56.292 19.885 34.716 735 HG LEU 93 HG LEU 93 55.787 22.829 34.176 736 HD11 LEU 93 HD11 LEU 93 54.194 20.289 33.774 737 HD12 LEU 93 HD12 LEU 93 54.666 21.469 32.548 738 HD13 LEU 93 HD13 LEU 93 53.451 21.890 33.757 739 HD21 LEU 93 HD21 LEU 93 53.953 22.471 35.903 740 HD22 LEU 93 HD22 LEU 93 55.589 22.472 36.558 741 HD23 LEU 93 HD23 LEU 93 54.739 20.947 36.314 742 H GLY 94 H GLY 94 60.035 21.353 34.172 743 HA2 GLY 94 HA2 GLY 94 61.942 19.944 34.606 744 HA3 GLY 94 HA3 GLY 94 60.846 18.676 35.127 745 H ALA 95 H ALA 95 59.827 20.305 32.226 746 HA ALA 95 HA ALA 95 59.845 17.938 30.714 747 HB1 ALA 95 HB1 ALA 95 59.777 19.713 28.752 748 HB2 ALA 95 HB2 ALA 95 59.542 20.847 30.081 749 HB3 ALA 95 HB3 ALA 95 58.403 19.523 29.840 750 H GLN 96 H GLN 96 61.417 16.885 29.701 751 HA GLN 96 HA GLN 96 64.116 17.704 30.152 752 HB2 GLN 96 HB2 GLN 96 62.985 15.396 28.553 753 HB3 GLN 96 HB3 GLN 96 64.683 15.593 28.996 754 HG2 GLN 96 HG2 GLN 96 64.045 15.630 31.389 755 HG3 GLN 96 HG3 GLN 96 62.363 15.382 30.935 756 HE21 GLN 96 HE21 GLN 96 62.480 13.331 32.223 757 HE22 GLN 96 HE22 GLN 96 63.186 11.956 31.533 758 H ARG 97 H ARG 97 61.987 17.661 27.333 759 HA ARG 97 HA ARG 97 64.008 19.271 25.889 760 HB2 ARG 97 HB2 ARG 97 63.906 16.955 24.980 761 HB3 ARG 97 HB3 ARG 97 62.191 17.192 24.646 762 HG2 ARG 97 HG2 ARG 97 62.752 19.120 23.196 763 HG3 ARG 97 HG3 ARG 97 64.467 18.834 23.496 764 HD2 ARG 97 HD2 ARG 97 64.199 16.532 22.561 765 HD3 ARG 97 HD3 ARG 97 62.529 16.924 22.162 766 HE ARG 97 HE ARG 97 63.948 18.923 20.974 767 HH11 ARG 97 HH11 ARG 97 64.187 15.424 20.809 768 HH12 ARG 97 HH12 ARG 97 64.810 15.444 19.193 769 HH21 ARG 97 HH21 ARG 97 64.754 18.885 18.895 770 HH22 ARG 97 HH22 ARG 97 65.127 17.379 18.123 771 H VAL 98 H VAL 98 63.203 21.257 25.704 772 HA VAL 98 HA VAL 98 60.288 21.588 25.289 773 HB VAL 98 HB VAL 98 62.287 23.581 26.391 774 HG11 VAL 98 HG11 VAL 98 60.265 24.877 26.964 775 HG12 VAL 98 HG12 VAL 98 59.260 23.650 26.194 776 HG13 VAL 98 HG13 VAL 98 60.373 24.614 25.223 777 HG21 VAL 98 HG21 VAL 98 61.196 23.167 28.551 778 HG22 VAL 98 HG22 VAL 98 61.849 21.657 27.917 779 HG23 VAL 98 HG23 VAL 98 60.121 21.987 27.803 780 H ILE 99 H ILE 99 59.598 22.471 23.454 781 HA ILE 99 HA ILE 99 61.597 23.589 21.580 782 HB ILE 99 HB ILE 99 59.160 21.880 21.009 783 HG12 ILE 99 HG12 ILE 99 62.086 21.273 20.522 784 HG13 ILE 99 HG13 ILE 99 61.231 20.764 21.976 785 HG21 ILE 99 HG21 ILE 99 60.424 21.918 18.658 786 HG22 ILE 99 HG22 ILE 99 60.976 23.482 19.256 787 HG23 ILE 99 HG23 ILE 99 59.249 23.157 19.095 788 HD11 ILE 99 HD11 ILE 99 61.204 18.943 20.353 789 HD12 ILE 99 HD12 ILE 99 60.526 20.013 19.125 790 HD13 ILE 99 HD13 ILE 99 59.569 19.579 20.541 791 H ASP 100 H ASP 100 61.248 25.683 21.186 792 HA ASP 100 HA ASP 100 58.570 26.813 21.591 793 HB2 ASP 100 HB2 ASP 100 60.551 27.943 22.594 794 HB3 ASP 100 HB3 ASP 100 61.179 28.221 20.971 795 H CYS 101 H CYS 101 57.232 26.953 19.896 796 HA CYS 101 HA CYS 101 58.360 26.843 17.190 797 HB2 CYS 101 HB2 CYS 101 56.098 26.310 16.463 798 HB3 CYS 101 HB3 CYS 101 56.587 25.246 17.780 799 HG CYS 101 HG CYS 101 54.278 27.205 17.882 800 H ARG 102 H ARG 102 57.491 29.314 19.262 801 HA ARG 102 HA ARG 102 55.895 31.018 17.734 802 HB2 ARG 102 HB2 ARG 102 56.542 31.417 20.100 803 HB3 ARG 102 HB3 ARG 102 58.176 31.798 19.568 804 HG2 ARG 102 HG2 ARG 102 57.108 33.902 19.796 805 HG3 ARG 102 HG3 ARG 102 57.092 33.585 18.064 806 HD2 ARG 102 HD2 ARG 102 54.776 32.702 18.272 807 HD3 ARG 102 HD3 ARG 102 54.801 33.096 19.987 808 HE ARG 102 HE ARG 102 55.398 35.470 18.896 809 HH11 ARG 102 HH11 ARG 102 52.881 33.177 18.041 810 HH12 ARG 102 HH12 ARG 102 51.817 34.412 17.453 811 HH21 ARG 102 HH21 ARG 102 53.987 37.016 18.125 812 HH22 ARG 102 HH22 ARG 102 52.437 36.558 17.501 813 H GLY 103 H GLY 103 59.405 30.522 17.675 814 HA2 GLY 103 HA2 GLY 103 59.643 32.359 15.393 815 HA3 GLY 103 HA3 GLY 103 60.979 31.684 16.319 816 H ALA 104 H ALA 104 60.022 28.948 16.251 817 HA ALA 104 HA ALA 104 61.142 28.123 13.762 818 HB1 ALA 104 HB1 ALA 104 60.977 26.901 16.105 819 HB2 ALA 104 HB2 ALA 104 61.025 25.978 14.604 820 HB3 ALA 104 HB3 ALA 104 59.485 26.264 15.414 821 H SER 105 H SER 105 60.168 27.227 11.967 822 HA SER 105 HA SER 105 57.379 27.990 11.550 823 HB2 SER 105 HB2 SER 105 59.195 28.474 9.860 824 HB3 SER 105 HB3 SER 105 59.298 26.739 9.576 825 HG SER 105 HG SER 105 57.333 28.514 8.908 826 H ALA 106 H ALA 106 55.857 26.480 10.571 827 HA ALA 106 HA ALA 106 55.429 24.171 11.983 828 HB1 ALA 106 HB1 ALA 106 53.647 25.048 10.702 829 HB2 ALA 106 HB2 ALA 106 53.995 23.462 10.015 830 HB3 ALA 106 HB3 ALA 106 54.560 24.920 9.198 831 HA PRO 107 HA PRO 107 57.398 21.382 8.561 832 HB2 PRO 107 HB2 PRO 107 59.476 22.615 7.148 833 HB3 PRO 107 HB3 PRO 107 57.861 22.253 6.517 834 HG2 PRO 107 HG2 PRO 107 58.961 24.801 7.541 835 HG3 PRO 107 HG3 PRO 107 57.787 24.508 6.246 836 HD2 PRO 107 HD2 PRO 107 57.037 25.428 8.655 837 HD3 PRO 107 HD3 PRO 107 55.993 24.351 7.708 838 H ALA 108 H ALA 108 59.332 23.957 10.043 839 HA ALA 108 HA ALA 108 61.641 22.453 10.622 840 HB1 ALA 108 HB1 ALA 108 62.256 24.202 12.035 841 HB2 ALA 108 HB2 ALA 108 60.593 24.521 12.529 842 HB3 ALA 108 HB3 ALA 108 61.146 25.006 10.925 843 H LEU 109 H LEU 109 58.634 22.919 12.445 844 HA LEU 109 HA LEU 109 59.311 21.446 14.733 845 HB2 LEU 109 HB2 LEU 109 56.583 21.669 13.435 846 HB3 LEU 109 HB3 LEU 109 56.909 21.234 15.111 847 HG LEU 109 HG LEU 109 57.648 23.881 13.826 848 HD11 LEU 109 HD11 LEU 109 55.565 23.391 15.958 849 HD12 LEU 109 HD12 LEU 109 55.162 23.359 14.242 850 HD13 LEU 109 HD13 LEU 109 55.799 24.832 14.970 851 HD21 LEU 109 HD21 LEU 109 58.037 24.530 16.238 852 HD22 LEU 109 HD22 LEU 109 59.188 23.346 15.617 853 HD23 LEU 109 HD23 LEU 109 57.866 22.827 16.662 854 H LEU 110 H LEU 110 57.940 20.406 11.634 855 HA LEU 110 HA LEU 110 57.454 17.714 12.237 856 HB2 LEU 110 HB2 LEU 110 56.757 18.833 10.135 857 HB3 LEU 110 HB3 LEU 110 58.439 18.869 9.614 858 HG LEU 110 HG LEU 110 58.476 16.352 9.862 859 HD11 LEU 110 HD11 LEU 110 56.660 15.911 11.320 860 HD12 LEU 110 HD12 LEU 110 56.105 15.344 9.744 861 HD13 LEU 110 HD13 LEU 110 55.550 16.897 10.369 862 HD21 LEU 110 HD21 LEU 110 58.290 17.103 7.640 863 HD22 LEU 110 HD22 LEU 110 56.689 17.790 7.909 864 HD23 LEU 110 HD23 LEU 110 56.893 16.041 7.811 865 H ALA 111 H ALA 111 60.398 19.308 11.078 866 HA ALA 111 HA ALA 111 62.023 17.026 10.850 867 HB1 ALA 111 HB1 ALA 111 62.614 19.295 9.997 868 HB2 ALA 111 HB2 ALA 111 63.906 18.553 10.941 869 HB3 ALA 111 HB3 ALA 111 62.899 19.808 11.661 870 H ALA 112 H ALA 112 61.350 19.134 13.615 871 HA ALA 112 HA ALA 112 63.207 18.045 15.413 872 HB1 ALA 112 HB1 ALA 112 60.475 19.194 16.040 873 HB2 ALA 112 HB2 ALA 112 61.949 20.137 15.823 874 HB3 ALA 112 HB3 ALA 112 61.813 19.013 17.174 875 H LEU 113 H LEU 113 59.882 17.078 14.660 876 HA LEU 113 HA LEU 113 59.543 15.147 16.668 877 HB2 LEU 113 HB2 LEU 113 58.356 15.662 13.977 878 HB3 LEU 113 HB3 LEU 113 58.060 14.081 14.693 879 HG LEU 113 HG LEU 113 57.643 16.550 16.357 880 HD11 LEU 113 HD11 LEU 113 55.654 15.387 14.381 881 HD12 LEU 113 HD12 LEU 113 56.417 16.972 14.256 882 HD13 LEU 113 HD13 LEU 113 55.297 16.634 15.577 883 HD21 LEU 113 HD21 LEU 113 56.688 13.697 16.270 884 HD22 LEU 113 HD22 LEU 113 55.729 14.914 17.114 885 HD23 LEU 113 HD23 LEU 113 57.387 14.589 17.622 886 H THR 114 H THR 114 60.740 14.796 13.346 887 HA THR 114 HA THR 114 61.085 11.995 13.480 888 HB THR 114 HB THR 114 62.422 12.254 11.436 889 HG1 THR 114 HG1 THR 114 63.445 14.182 12.094 890 HG21 THR 114 HG21 THR 114 60.216 14.275 11.210 891 HG22 THR 114 HG22 THR 114 59.815 12.610 11.633 892 HG23 THR 114 HG23 THR 114 60.641 12.961 10.113 893 H SER 115 H SER 115 63.334 14.661 14.140 894 HA SER 115 HA SER 115 65.639 13.052 14.469 895 HB2 SER 115 HB2 SER 115 66.634 14.999 15.500 896 HB3 SER 115 HB3 SER 115 65.646 15.526 14.143 897 HG SER 115 HG SER 115 65.445 16.340 16.545 898 H ALA 116 H ALA 116 63.176 14.164 16.767 899 HA ALA 116 HA ALA 116 64.442 13.275 19.118 900 HB1 ALA 116 HB1 ALA 116 62.506 14.829 19.064 901 HB2 ALA 116 HB2 ALA 116 62.248 13.469 20.158 902 HB3 ALA 116 HB3 ALA 116 61.472 13.486 18.574 903 H ALA 117 H ALA 117 62.241 11.633 16.877 904 HA ALA 117 HA ALA 117 61.804 9.295 18.353 905 HB1 ALA 117 HB1 ALA 117 62.110 9.182 15.376 906 HB2 ALA 117 HB2 ALA 117 60.800 10.133 16.076 907 HB3 ALA 117 HB3 ALA 117 60.910 8.404 16.409 908 H LEU 118 H LEU 118 64.536 10.244 16.332 909 HA LEU 118 HA LEU 118 65.765 7.754 15.991 910 HB2 LEU 118 HB2 LEU 118 67.100 10.441 16.393 911 HB3 LEU 118 HB3 LEU 118 67.851 9.011 15.688 912 HG LEU 118 HG LEU 118 65.394 10.390 14.568 913 HD11 LEU 118 HD11 LEU 118 66.904 11.195 12.803 914 HD12 LEU 118 HD12 LEU 118 68.272 10.424 13.607 915 HD13 LEU 118 HD13 LEU 118 67.444 11.776 14.379 916 HD21 LEU 118 HD21 LEU 118 66.151 8.953 12.541 917 HD22 LEU 118 HD22 LEU 118 65.327 8.133 13.867 918 HD23 LEU 118 HD23 LEU 118 67.083 8.034 13.723 919 H GLU 119 H GLU 119 65.875 9.996 18.728 920 HA GLU 119 HA GLU 119 67.956 8.735 20.158 921 HB2 GLU 119 HB2 GLU 119 65.606 10.361 21.154 922 HB3 GLU 119 HB3 GLU 119 67.008 9.917 22.129 923 HG2 GLU 119 HG2 GLU 119 68.480 11.063 20.483 924 HG3 GLU 119 HG3 GLU 119 67.054 11.565 19.586 925 H HIS 120 H HIS 120 64.472 8.133 20.050 926 HA HIS 120 HA HIS 120 64.280 6.435 22.281 927 HB2 HIS 120 HB2 HIS 120 62.349 7.396 21.074 928 HB3 HIS 120 HB3 HIS 120 62.691 6.340 19.715 929 HD1 HIS 120 HD1 HIS 120 62.008 5.950 23.456 930 HD2 HIS 120 HD2 HIS 120 61.211 4.024 19.845 931 HE1 HIS 120 HE1 HIS 120 60.540 3.965 24.013 932 H HIS 121 H HIS 121 65.070 5.753 18.897 933 HA HIS 121 HA HIS 121 64.949 2.974 18.946 934 HB2 HIS 121 HB2 HIS 121 66.749 4.824 17.392 935 HB3 HIS 121 HB3 HIS 121 66.664 3.095 17.108 936 HD1 HIS 121 HD1 HIS 121 64.498 2.174 15.999 937 HD2 HIS 121 HD2 HIS 121 64.532 6.318 16.444 938 HE1 HIS 121 HE1 HIS 121 62.593 3.060 14.588 939 H HIS 122 H HIS 122 67.565 5.121 19.984 940 HA HIS 122 HA HIS 122 69.119 2.745 20.835 941 HB2 HIS 122 HB2 HIS 122 70.029 5.570 20.280 942 HB3 HIS 122 HB3 HIS 122 71.059 4.270 20.849 943 HD1 HIS 122 HD1 HIS 122 71.087 2.096 19.122 944 HD2 HIS 122 HD2 HIS 122 69.959 5.786 17.543 945 HE1 HIS 122 HE1 HIS 122 71.342 1.907 16.611 946 H HIS 123 H HIS 123 69.334 2.372 22.937 947 HA HIS 123 HA HIS 123 68.062 3.858 24.939 948 HB2 HIS 123 HB2 HIS 123 70.380 1.935 25.144 949 HB3 HIS 123 HB3 HIS 123 69.465 2.538 26.512 950 HD1 HIS 123 HD1 HIS 123 69.302 0.145 23.649 951 HD2 HIS 123 HD2 HIS 123 66.838 1.417 26.762 952 HE1 HIS 123 HE1 HIS 123 67.373 -1.491 23.747 953 H HIS 124 H HIS 124 71.399 3.955 23.768 954 HA HIS 124 HA HIS 124 71.917 6.278 25.535 955 HB2 HIS 124 HB2 HIS 124 73.872 4.334 24.299 956 HB3 HIS 124 HB3 HIS 124 74.297 5.712 25.296 957 HD1 HIS 124 HD1 HIS 124 73.183 5.587 27.831 958 HD2 HIS 124 HD2 HIS 124 73.547 2.008 25.725 959 HE1 HIS 124 HE1 HIS 124 73.017 3.730 29.543 960 H HIS 125 H HIS 125 72.787 8.127 24.662 961 HA HIS 125 HA HIS 125 72.121 8.834 22.045 962 HB2 HIS 125 HB2 HIS 125 74.307 10.059 23.726 963 HB3 HIS 125 HB3 HIS 125 73.451 10.822 22.400 964 HD1 HIS 125 HD1 HIS 125 70.740 11.080 22.868 965 HD2 HIS 125 HD2 HIS 125 73.203 10.568 26.192 966 HE1 HIS 125 HE1 HIS 125 69.403 11.853 24.873 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 57.957 8.467 7.224 2 H2 MET 1 HT2 MET 1 58.921 7.105 7.543 3 H3 MET 1 HT3 MET 1 59.128 8.526 8.450 4 HA MET 1 HA MET 1 56.988 6.517 8.594 5 HB2 MET 1 HB2 MET 1 58.617 8.079 10.617 6 HB3 MET 1 HB3 MET 1 57.372 6.900 11.032 7 HG2 MET 1 HG2 MET 1 58.644 5.189 9.696 8 HG3 MET 1 HG3 MET 1 59.938 6.372 9.511 9 HE1 MET 1 HE1 MET 1 61.216 7.054 13.001 10 HE2 MET 1 HE2 MET 1 59.720 7.857 12.529 11 HE3 MET 1 HE3 MET 1 60.992 7.604 11.336 12 H ASP 2 H ASP 2 55.405 7.345 10.475 13 HA ASP 2 HA ASP 2 54.444 10.044 9.724 14 HB2 ASP 2 HB2 ASP 2 52.743 7.602 10.271 15 HB3 ASP 2 HB3 ASP 2 52.154 9.213 9.863 16 HA PRO 3 HA PRO 3 55.326 9.728 14.275 17 HB2 PRO 3 HB2 PRO 3 55.475 12.489 14.636 18 HB3 PRO 3 HB3 PRO 3 56.851 11.427 14.284 19 HG2 PRO 3 HG2 PRO 3 55.285 13.156 12.451 20 HG3 PRO 3 HG3 PRO 3 57.023 12.804 12.474 21 HD2 PRO 3 HD2 PRO 3 55.388 11.643 10.680 22 HD3 PRO 3 HD3 PRO 3 56.774 10.769 11.371 23 H LYS 4 H LYS 4 54.015 10.235 16.100 24 HA LYS 4 HA LYS 4 51.292 11.187 15.416 25 HB2 LYS 4 HB2 LYS 4 52.210 9.298 17.599 26 HB3 LYS 4 HB3 LYS 4 50.548 9.828 17.347 27 HG2 LYS 4 HG2 LYS 4 50.630 8.859 15.049 28 HG3 LYS 4 HG3 LYS 4 52.243 8.238 15.401 29 HD2 LYS 4 HD2 LYS 4 51.287 7.003 17.352 30 HD3 LYS 4 HD3 LYS 4 49.680 7.534 16.857 31 HE2 LYS 4 HE2 LYS 4 49.933 5.367 15.906 32 HE3 LYS 4 HE3 LYS 4 50.207 6.490 14.575 33 HZ1 LYS 4 HZ1 LYS 4 52.290 5.795 14.360 34 HZ2 LYS 4 HZ2 LYS 4 51.908 4.521 15.415 35 HZ3 LYS 4 HZ3 LYS 4 52.603 5.947 16.019 36 H VAL 5 H VAL 5 50.421 12.861 16.567 37 HA VAL 5 HA VAL 5 51.777 13.684 19.060 38 HB VAL 5 HB VAL 5 51.322 16.073 18.434 39 HG11 VAL 5 HG11 VAL 5 53.304 14.299 17.049 40 HG12 VAL 5 HG12 VAL 5 53.569 15.495 18.320 41 HG13 VAL 5 HG13 VAL 5 53.263 16.019 16.663 42 HG21 VAL 5 HG21 VAL 5 50.822 14.785 15.733 43 HG22 VAL 5 HG22 VAL 5 51.188 16.497 15.944 44 HG23 VAL 5 HG23 VAL 5 49.720 15.817 16.646 45 H LEU 6 H LEU 6 50.547 14.444 20.660 46 HA LEU 6 HA LEU 6 47.629 14.133 20.345 47 HB2 LEU 6 HB2 LEU 6 48.822 12.780 22.091 48 HB3 LEU 6 HB3 LEU 6 49.243 14.289 22.899 49 HG LEU 6 HG LEU 6 46.705 14.801 22.825 50 HD11 LEU 6 HD11 LEU 6 45.487 12.469 23.021 51 HD12 LEU 6 HD12 LEU 6 46.832 11.908 22.028 52 HD13 LEU 6 HD13 LEU 6 45.769 13.183 21.434 53 HD21 LEU 6 HD21 LEU 6 48.019 14.228 24.868 54 HD22 LEU 6 HD22 LEU 6 47.710 12.520 24.557 55 HD23 LEU 6 HD23 LEU 6 46.371 13.606 24.934 56 H ILE 7 H ILE 7 46.271 15.821 20.637 57 HA ILE 7 HA ILE 7 47.493 18.459 21.069 58 HB ILE 7 HB ILE 7 44.689 17.814 20.125 59 HG12 ILE 7 HG12 ILE 7 47.017 18.705 18.411 60 HG13 ILE 7 HG13 ILE 7 46.589 17.005 18.599 61 HG21 ILE 7 HG21 ILE 7 44.920 20.058 21.053 62 HG22 ILE 7 HG22 ILE 7 44.796 20.169 19.298 63 HG23 ILE 7 HG23 ILE 7 46.365 20.342 20.083 64 HD11 ILE 7 HD11 ILE 7 45.558 18.414 16.619 65 HD12 ILE 7 HD12 ILE 7 44.431 18.957 17.859 66 HD13 ILE 7 HD13 ILE 7 44.569 17.239 17.487 67 H MET 8 H MET 8 47.143 19.610 22.848 68 HA MET 8 HA MET 8 45.025 18.794 24.720 69 HB2 MET 8 HB2 MET 8 47.392 20.653 25.050 70 HB3 MET 8 HB3 MET 8 46.219 20.280 26.314 71 HG2 MET 8 HG2 MET 8 46.778 17.838 25.995 72 HG3 MET 8 HG3 MET 8 48.091 18.343 24.930 73 HE1 MET 8 HE1 MET 8 46.721 19.968 28.397 74 HE2 MET 8 HE2 MET 8 47.605 18.835 29.416 75 HE3 MET 8 HE3 MET 8 46.474 18.225 28.213 76 H ARG 9 H ARG 9 43.297 20.119 25.149 77 HA ARG 9 HA ARG 9 42.485 21.844 23.101 78 HB2 ARG 9 HB2 ARG 9 41.470 21.633 25.944 79 HB3 ARG 9 HB3 ARG 9 40.653 22.510 24.650 80 HG2 ARG 9 HG2 ARG 9 40.615 20.383 23.317 81 HG3 ARG 9 HG3 ARG 9 41.258 19.543 24.727 82 HD2 ARG 9 HD2 ARG 9 38.644 21.066 24.592 83 HD3 ARG 9 HD3 ARG 9 38.823 19.317 24.669 84 HE ARG 9 HE ARG 9 40.153 20.366 26.885 85 HH11 ARG 9 HH11 ARG 9 36.853 20.271 25.688 86 HH12 ARG 9 HH12 ARG 9 36.168 20.371 27.276 87 HH21 ARG 9 HH21 ARG 9 39.208 20.499 28.906 88 HH22 ARG 9 HH22 ARG 9 37.485 20.498 29.071 89 H GLY 10 H GLY 10 42.325 24.043 22.913 90 HA2 GLY 10 HA2 GLY 10 43.496 25.800 24.916 91 HA3 GLY 10 HA3 GLY 10 44.393 25.665 23.407 92 H GLU 11 H GLU 11 43.594 28.120 23.914 93 HA GLU 11 HA GLU 11 41.001 28.927 23.311 94 HB2 GLU 11 HB2 GLU 11 43.616 30.325 22.708 95 HB3 GLU 11 HB3 GLU 11 42.028 31.092 22.658 96 HG2 GLU 11 HG2 GLU 11 41.681 30.462 25.039 97 HG3 GLU 11 HG3 GLU 11 43.304 29.789 25.078 98 H GLY 12 H GLY 12 43.612 27.997 21.122 99 HA2 GLY 12 HA2 GLY 12 42.424 28.993 18.735 100 HA3 GLY 12 HA3 GLY 12 43.681 27.762 18.829 101 H GLY 13 H GLY 13 41.849 27.409 16.906 102 HA2 GLY 13 HA2 GLY 13 39.618 25.805 17.855 103 HA3 GLY 13 HA3 GLY 13 39.995 26.191 16.178 104 H ARG 14 H ARG 14 39.507 23.634 17.910 105 HA ARG 14 HA ARG 14 41.787 22.014 17.898 106 HB2 ARG 14 HB2 ARG 14 38.907 21.210 17.402 107 HB3 ARG 14 HB3 ARG 14 40.211 20.118 17.865 108 HG2 ARG 14 HG2 ARG 14 40.520 21.393 19.965 109 HG3 ARG 14 HG3 ARG 14 39.178 22.448 19.511 110 HD2 ARG 14 HD2 ARG 14 37.754 20.344 19.331 111 HD3 ARG 14 HD3 ARG 14 39.084 19.483 20.100 112 HE ARG 14 HE ARG 14 38.646 21.558 21.796 113 HH11 ARG 14 HH11 ARG 14 36.502 19.137 20.430 114 HH12 ARG 14 HH12 ARG 14 35.391 19.227 21.756 115 HH21 ARG 14 HH21 ARG 14 37.168 21.642 23.468 116 HH22 ARG 14 HH22 ARG 14 35.767 20.626 23.454 117 H GLU 15 H GLU 15 39.332 22.542 15.388 118 HA GLU 15 HA GLU 15 40.279 20.597 13.579 119 HB2 GLU 15 HB2 GLU 15 38.023 21.666 13.504 120 HB3 GLU 15 HB3 GLU 15 38.787 23.142 12.912 121 HG2 GLU 15 HG2 GLU 15 39.732 21.848 11.005 122 HG3 GLU 15 HG3 GLU 15 38.872 20.425 11.572 123 H PHE 16 H PHE 16 41.051 24.044 13.949 124 HA PHE 16 HA PHE 16 42.408 24.353 11.498 125 HB2 PHE 16 HB2 PHE 16 41.633 26.206 12.962 126 HB3 PHE 16 HB3 PHE 16 42.916 25.813 14.090 127 HD1 PHE 16 HD1 PHE 16 42.161 27.081 10.692 128 HD2 PHE 16 HD2 PHE 16 45.181 26.504 13.692 129 HE1 PHE 16 HE1 PHE 16 43.704 28.548 9.420 130 HE2 PHE 16 HE2 PHE 16 46.725 27.971 12.419 131 HZ PHE 16 HZ PHE 16 45.985 28.993 10.284 132 H LEU 17 H LEU 17 43.761 23.821 14.772 133 HA LEU 17 HA LEU 17 46.447 23.707 13.909 134 HB2 LEU 17 HB2 LEU 17 45.202 22.421 16.352 135 HB3 LEU 17 HB3 LEU 17 46.919 22.738 16.109 136 HG LEU 17 HG LEU 17 44.763 24.871 16.151 137 HD11 LEU 17 HD11 LEU 17 45.670 25.466 18.346 138 HD12 LEU 17 HD12 LEU 17 46.848 24.157 18.237 139 HD13 LEU 17 HD13 LEU 17 45.127 23.789 18.362 140 HD21 LEU 17 HD21 LEU 17 46.568 25.685 14.844 141 HD22 LEU 17 HD22 LEU 17 47.772 24.903 15.869 142 HD23 LEU 17 HD23 LEU 17 46.891 26.311 16.461 143 H ALA 18 H ALA 18 44.054 21.133 14.458 144 HA ALA 18 HA ALA 18 45.800 18.970 14.061 145 HB1 ALA 18 HB1 ALA 18 43.534 17.851 13.281 146 HB2 ALA 18 HB2 ALA 18 42.834 19.345 13.902 147 HB3 ALA 18 HB3 ALA 18 43.775 18.302 14.969 148 H GLU 19 H GLU 19 43.830 20.821 11.753 149 HA GLU 19 HA GLU 19 44.219 19.173 9.521 150 HB2 GLU 19 HB2 GLU 19 42.580 21.061 9.673 151 HB3 GLU 19 HB3 GLU 19 43.929 22.186 9.514 152 HG2 GLU 19 HG2 GLU 19 44.538 21.099 7.358 153 HG3 GLU 19 HG3 GLU 19 43.124 20.066 7.505 154 H ARG 20 H ARG 20 46.136 21.891 10.772 155 HA ARG 20 HA ARG 20 47.966 22.078 8.659 156 HB2 ARG 20 HB2 ARG 20 47.752 23.695 10.551 157 HB3 ARG 20 HB3 ARG 20 48.563 22.524 11.591 158 HG2 ARG 20 HG2 ARG 20 50.544 22.570 10.159 159 HG3 ARG 20 HG3 ARG 20 49.734 23.667 9.038 160 HD2 ARG 20 HD2 ARG 20 51.142 25.013 10.452 161 HD3 ARG 20 HD3 ARG 20 49.476 25.294 10.947 162 HE ARG 20 HE ARG 20 50.368 23.224 12.540 163 HH11 ARG 20 HH11 ARG 20 51.393 26.535 11.979 164 HH12 ARG 20 HH12 ARG 20 52.037 26.711 13.577 165 HH21 ARG 20 HH21 ARG 20 51.216 23.510 14.582 166 HH22 ARG 20 HH22 ARG 20 51.938 25.018 15.031 167 H LEU 21 H LEU 21 48.248 20.173 11.680 168 HA LEU 21 HA LEU 21 50.781 19.096 11.052 169 HB2 LEU 21 HB2 LEU 21 48.605 18.150 12.913 170 HB3 LEU 21 HB3 LEU 21 50.162 17.333 12.771 171 HG LEU 21 HG LEU 21 49.913 20.292 13.354 172 HD11 LEU 21 HD11 LEU 21 50.648 19.377 15.724 173 HD12 LEU 21 HD12 LEU 21 49.838 17.909 15.177 174 HD13 LEU 21 HD13 LEU 21 48.942 19.422 15.282 175 HD21 LEU 21 HD21 LEU 21 52.128 18.263 13.256 176 HD22 LEU 21 HD22 LEU 21 52.269 19.621 14.371 177 HD23 LEU 21 HD23 LEU 21 52.102 19.915 12.640 178 H ARG 22 H ARG 22 47.509 17.924 10.345 179 HA ARG 22 HA ARG 22 48.265 15.387 9.356 180 HB2 ARG 22 HB2 ARG 22 45.889 17.133 8.691 181 HB3 ARG 22 HB3 ARG 22 46.078 15.472 8.133 182 HG2 ARG 22 HG2 ARG 22 46.254 14.721 10.494 183 HG3 ARG 22 HG3 ARG 22 45.977 16.379 11.025 184 HD2 ARG 22 HD2 ARG 22 43.814 16.342 9.722 185 HD3 ARG 22 HD3 ARG 22 44.078 14.622 9.455 186 HE ARG 22 HE ARG 22 44.132 15.517 12.232 187 HH11 ARG 22 HH11 ARG 22 42.220 14.076 9.664 188 HH12 ARG 22 HH12 ARG 22 41.070 13.399 10.767 189 HH21 ARG 22 HH21 ARG 22 42.617 14.622 13.601 190 HH22 ARG 22 HH22 ARG 22 41.292 13.705 12.967 191 H GLY 23 H GLY 23 47.917 18.528 7.735 192 HA2 GLY 23 HA2 GLY 23 48.253 17.644 5.096 193 HA3 GLY 23 HA3 GLY 23 48.635 19.260 5.676 194 H GLN 24 H GLN 24 50.642 18.312 7.605 195 HA GLN 24 HA GLN 24 52.846 18.000 5.739 196 HB2 GLN 24 HB2 GLN 24 52.787 18.408 8.726 197 HB3 GLN 24 HB3 GLN 24 54.265 18.299 7.768 198 HG2 GLN 24 HG2 GLN 24 53.557 20.209 6.409 199 HG3 GLN 24 HG3 GLN 24 52.043 20.306 7.304 200 HE21 GLN 24 HE21 GLN 24 53.930 22.483 7.185 201 HE22 GLN 24 HE22 GLN 24 54.543 22.725 8.749 202 H GLY 25 H GLY 25 50.904 15.679 6.894 203 HA2 GLY 25 HA2 GLY 25 51.295 13.395 6.524 204 HA3 GLY 25 HA3 GLY 25 53.023 13.704 6.564 205 H VAL 26 H VAL 26 51.288 15.079 9.212 206 HA VAL 26 HA VAL 26 52.316 12.956 10.972 207 HB VAL 26 HB VAL 26 51.297 15.718 11.686 208 HG11 VAL 26 HG11 VAL 26 51.144 14.028 13.502 209 HG12 VAL 26 HG12 VAL 26 52.347 15.269 13.858 210 HG13 VAL 26 HG13 VAL 26 52.861 13.677 13.298 211 HG21 VAL 26 HG21 VAL 26 53.797 16.086 12.131 212 HG22 VAL 26 HG22 VAL 26 53.307 16.032 10.438 213 HG23 VAL 26 HG23 VAL 26 54.072 14.627 11.179 214 H GLN 27 H GLN 27 50.992 11.772 12.282 215 HA GLN 27 HA GLN 27 48.139 11.817 11.710 216 HB2 GLN 27 HB2 GLN 27 49.740 10.103 13.626 217 HB3 GLN 27 HB3 GLN 27 48.051 9.849 13.188 218 HG2 GLN 27 HG2 GLN 27 48.774 9.621 10.795 219 HG3 GLN 27 HG3 GLN 27 50.449 9.698 11.341 220 HE21 GLN 27 HE21 GLN 27 51.351 7.815 12.363 221 HE22 GLN 27 HE22 GLN 27 50.494 6.357 12.502 222 H VAL 28 H VAL 28 46.601 12.702 13.016 223 HA VAL 28 HA VAL 28 47.582 14.038 15.482 224 HB VAL 28 HB VAL 28 45.482 15.064 13.559 225 HG11 VAL 28 HG11 VAL 28 45.530 17.063 14.879 226 HG12 VAL 28 HG12 VAL 28 46.920 16.499 15.802 227 HG13 VAL 28 HG13 VAL 28 45.348 15.731 16.015 228 HG21 VAL 28 HG21 VAL 28 48.300 16.095 13.997 229 HG22 VAL 28 HG22 VAL 28 47.130 16.660 12.805 230 HG23 VAL 28 HG23 VAL 28 47.845 15.056 12.645 231 H ASP 29 H ASP 29 46.543 13.613 17.287 232 HA ASP 29 HA ASP 29 43.659 13.007 17.177 233 HB2 ASP 29 HB2 ASP 29 44.938 10.874 17.478 234 HB3 ASP 29 HB3 ASP 29 45.621 11.542 18.960 235 H TYR 30 H TYR 30 42.484 14.041 18.781 236 HA TYR 30 HA TYR 30 44.060 15.701 20.669 237 HB2 TYR 30 HB2 TYR 30 42.310 17.352 20.550 238 HB3 TYR 30 HB3 TYR 30 42.911 17.001 18.943 239 HD1 TYR 30 HD1 TYR 30 40.029 17.108 21.109 240 HD2 TYR 30 HD2 TYR 30 41.545 15.479 17.434 241 HE1 TYR 30 HE1 TYR 30 37.711 16.635 20.362 242 HE2 TYR 30 HE2 TYR 30 39.227 15.007 16.688 243 HH TYR 30 HH TYR 30 36.998 15.643 17.168 244 H LEU 31 H LEU 31 43.519 15.730 22.789 245 HA LEU 31 HA LEU 31 41.428 13.823 23.659 246 HB2 LEU 31 HB2 LEU 31 43.751 13.055 24.046 247 HB3 LEU 31 HB3 LEU 31 44.035 14.488 25.030 248 HG LEU 31 HG LEU 31 41.874 13.638 26.320 249 HD11 LEU 31 HD11 LEU 31 42.954 11.148 24.978 250 HD12 LEU 31 HD12 LEU 31 41.317 11.794 24.862 251 HD13 LEU 31 HD13 LEU 31 41.895 11.124 26.388 252 HD21 LEU 31 HD21 LEU 31 44.639 12.415 26.559 253 HD22 LEU 31 HD22 LEU 31 43.386 12.278 27.793 254 HD23 LEU 31 HD23 LEU 31 44.047 13.860 27.380 255 HA PRO 32 HA PRO 32 39.895 17.755 25.576 256 HB2 PRO 32 HB2 PRO 32 38.144 15.763 26.951 257 HB3 PRO 32 HB3 PRO 32 37.715 17.306 26.187 258 HG2 PRO 32 HG2 PRO 32 37.196 14.972 25.015 259 HG3 PRO 32 HG3 PRO 32 37.655 16.409 24.084 260 HD2 PRO 32 HD2 PRO 32 39.257 13.974 24.674 261 HD3 PRO 32 HD3 PRO 32 39.357 15.088 23.296 262 H LEU 33 H LEU 33 40.596 18.687 27.418 263 HA LEU 33 HA LEU 33 42.416 17.363 29.106 264 HB2 LEU 33 HB2 LEU 33 40.948 19.964 29.587 265 HB3 LEU 33 HB3 LEU 33 42.403 19.430 30.425 266 HG LEU 33 HG LEU 33 42.222 19.818 27.425 267 HD11 LEU 33 HD11 LEU 33 43.954 21.761 28.298 268 HD12 LEU 33 HD12 LEU 33 42.790 21.738 29.621 269 HD13 LEU 33 HD13 LEU 33 42.243 22.031 27.975 270 HD21 LEU 33 HD21 LEU 33 43.935 18.244 27.965 271 HD22 LEU 33 HD22 LEU 33 44.464 19.194 29.356 272 HD23 LEU 33 HD23 LEU 33 44.752 19.784 27.721 273 H ASP 34 H ASP 34 38.991 17.345 29.265 274 HA ASP 34 HA ASP 34 38.783 17.210 32.131 275 HB2 ASP 34 HB2 ASP 34 36.796 16.585 29.946 276 HB3 ASP 34 HB3 ASP 34 36.416 16.622 31.665 277 H TYR 35 H TYR 35 39.910 14.895 29.953 278 HA TYR 35 HA TYR 35 38.528 12.601 30.942 279 HB2 TYR 35 HB2 TYR 35 40.867 13.102 29.185 280 HB3 TYR 35 HB3 TYR 35 40.753 11.514 29.920 281 HD1 TYR 35 HD1 TYR 35 38.680 10.121 29.530 282 HD2 TYR 35 HD2 TYR 35 39.482 13.740 27.360 283 HE1 TYR 35 HE1 TYR 35 37.038 9.446 27.801 284 HE2 TYR 35 HE2 TYR 35 37.835 13.065 25.631 285 HH TYR 35 HH TYR 35 36.859 10.730 24.864 286 HA PRO 36 HA PRO 36 40.563 12.059 34.757 287 HB2 PRO 36 HB2 PRO 36 40.518 9.364 35.152 288 HB3 PRO 36 HB3 PRO 36 39.064 10.379 35.224 289 HG2 PRO 36 HG2 PRO 36 40.053 8.655 33.008 290 HG3 PRO 36 HG3 PRO 36 38.399 8.887 33.609 291 HD2 PRO 36 HD2 PRO 36 39.328 10.131 31.367 292 HD3 PRO 36 HD3 PRO 36 38.087 10.841 32.419 293 H ALA 37 H ALA 37 42.504 11.689 35.755 294 HA ALA 37 HA ALA 37 44.844 11.542 34.275 295 HB1 ALA 37 HB1 ALA 37 44.951 12.422 36.481 296 HB2 ALA 37 HB2 ALA 37 45.925 10.951 36.499 297 HB3 ALA 37 HB3 ALA 37 44.297 10.940 37.181 298 H GLY 38 H GLY 38 46.471 9.928 34.100 299 HA2 GLY 38 HA2 GLY 38 47.253 7.700 34.103 300 HA3 GLY 38 HA3 GLY 38 45.627 7.150 34.490 301 H GLU 39 H GLU 39 44.264 8.635 32.387 302 HA GLU 39 HA GLU 39 44.464 6.690 30.343 303 HB2 GLU 39 HB2 GLU 39 43.175 9.424 30.308 304 HB3 GLU 39 HB3 GLU 39 42.980 8.211 29.043 305 HG2 GLU 39 HG2 GLU 39 42.120 6.617 30.762 306 HG3 GLU 39 HG3 GLU 39 42.212 7.902 31.958 307 H LEU 40 H LEU 40 45.896 9.898 30.699 308 HA LEU 40 HA LEU 40 46.728 10.285 28.041 309 HB2 LEU 40 HB2 LEU 40 46.774 12.028 29.820 310 HB3 LEU 40 HB3 LEU 40 48.133 11.189 30.567 311 HG LEU 40 HG LEU 40 49.341 11.411 28.334 312 HD11 LEU 40 HD11 LEU 40 47.484 11.854 26.866 313 HD12 LEU 40 HD12 LEU 40 48.460 13.322 26.920 314 HD13 LEU 40 HD13 LEU 40 46.963 13.223 27.848 315 HD21 LEU 40 HD21 LEU 40 50.096 13.633 28.838 316 HD22 LEU 40 HD22 LEU 40 49.657 12.894 30.377 317 HD23 LEU 40 HD23 LEU 40 48.564 14.045 29.609 318 H LEU 41 H LEU 41 48.365 8.741 30.797 319 HA LEU 41 HA LEU 41 50.816 8.262 29.477 320 HB2 LEU 41 HB2 LEU 41 50.480 8.146 31.945 321 HB3 LEU 41 HB3 LEU 41 49.587 6.643 31.720 322 HG LEU 41 HG LEU 41 51.669 5.773 30.486 323 HD11 LEU 41 HD11 LEU 41 52.810 8.236 31.835 324 HD12 LEU 41 HD12 LEU 41 52.787 7.898 30.104 325 HD13 LEU 41 HD13 LEU 41 53.785 6.920 31.180 326 HD21 LEU 41 HD21 LEU 41 52.913 5.559 32.790 327 HD22 LEU 41 HD22 LEU 41 51.323 4.820 32.594 328 HD23 LEU 41 HD23 LEU 41 51.480 6.366 33.426 329 H ALA 42 H ALA 42 47.896 6.260 29.822 330 HA ALA 42 HA ALA 42 48.989 3.907 28.727 331 HB1 ALA 42 HB1 ALA 42 46.117 4.865 28.691 332 HB2 ALA 42 HB2 ALA 42 46.875 3.926 29.975 333 HB3 ALA 42 HB3 ALA 42 46.648 3.213 28.378 334 H ARG 43 H ARG 43 47.190 6.560 27.182 335 HA ARG 43 HA ARG 43 47.141 5.418 24.596 336 HB2 ARG 43 HB2 ARG 43 47.047 8.321 25.443 337 HB3 ARG 43 HB3 ARG 43 46.706 7.739 23.813 338 HG2 ARG 43 HG2 ARG 43 44.914 6.273 24.762 339 HG3 ARG 43 HG3 ARG 43 45.200 7.009 26.340 340 HD2 ARG 43 HD2 ARG 43 44.742 9.252 25.293 341 HD3 ARG 43 HD3 ARG 43 44.274 8.407 23.821 342 HE ARG 43 HE ARG 43 42.905 7.618 26.282 343 HH11 ARG 43 HH11 ARG 43 42.759 9.510 23.322 344 HH12 ARG 43 HH12 ARG 43 41.033 9.626 23.369 345 HH21 ARG 43 HH21 ARG 43 40.686 7.810 26.284 346 HH22 ARG 43 HH22 ARG 43 39.876 8.679 25.024 347 H VAL 44 H VAL 44 49.514 7.532 26.183 348 HA VAL 44 HA VAL 44 51.086 8.055 23.913 349 HB VAL 44 HB VAL 44 51.904 7.858 26.824 350 HG11 VAL 44 HG11 VAL 44 53.308 9.277 24.539 351 HG12 VAL 44 HG12 VAL 44 53.832 7.738 25.225 352 HG13 VAL 44 HG13 VAL 44 53.844 9.196 26.218 353 HG21 VAL 44 HG21 VAL 44 51.321 10.099 27.035 354 HG22 VAL 44 HG22 VAL 44 50.077 9.549 25.915 355 HG23 VAL 44 HG23 VAL 44 51.483 10.417 25.309 356 H ARG 45 H ARG 45 51.231 5.416 26.289 357 HA ARG 45 HA ARG 45 53.584 4.217 25.277 358 HB2 ARG 45 HB2 ARG 45 52.627 3.803 27.534 359 HB3 ARG 45 HB3 ARG 45 51.318 2.895 26.779 360 HG2 ARG 45 HG2 ARG 45 52.990 1.354 25.776 361 HG3 ARG 45 HG3 ARG 45 54.272 2.234 26.610 362 HD2 ARG 45 HD2 ARG 45 53.152 1.725 28.783 363 HD3 ARG 45 HD3 ARG 45 51.971 0.752 27.910 364 HE ARG 45 HE ARG 45 54.647 -0.058 27.306 365 HH11 ARG 45 HH11 ARG 45 52.163 -0.351 29.770 366 HH12 ARG 45 HH12 ARG 45 52.780 -1.862 30.352 367 HH21 ARG 45 HH21 ARG 45 55.392 -2.005 28.098 368 HH22 ARG 45 HH22 ARG 45 54.584 -2.785 29.416 369 H ALA 46 H ALA 46 50.147 3.376 24.744 370 HA ALA 46 HA ALA 46 50.726 1.120 23.129 371 HB1 ALA 46 HB1 ALA 46 48.590 1.370 24.293 372 HB2 ALA 46 HB2 ALA 46 48.330 1.185 22.559 373 HB3 ALA 46 HB3 ALA 46 48.201 2.778 23.303 374 H GLU 47 H GLU 47 49.806 4.464 22.296 375 HA GLU 47 HA GLU 47 49.929 3.919 19.466 376 HB2 GLU 47 HB2 GLU 47 49.684 6.512 20.995 377 HB3 GLU 47 HB3 GLU 47 49.552 6.359 19.242 378 HG2 GLU 47 HG2 GLU 47 47.682 4.747 19.555 379 HG3 GLU 47 HG3 GLU 47 47.783 4.997 21.292 380 H ARG 48 H ARG 48 52.362 4.548 21.767 381 HA ARG 48 HA ARG 48 54.557 5.200 21.608 382 HB2 ARG 48 HB2 ARG 48 54.097 4.302 18.754 383 HB3 ARG 48 HB3 ARG 48 55.682 4.648 19.448 384 HG2 ARG 48 HG2 ARG 48 55.231 2.940 21.217 385 HG3 ARG 48 HG3 ARG 48 53.724 2.536 20.394 386 HD2 ARG 48 HD2 ARG 48 56.511 2.314 19.224 387 HD3 ARG 48 HD3 ARG 48 55.485 0.974 19.723 388 HE ARG 48 HE ARG 48 55.276 2.501 17.280 389 HH11 ARG 48 HH11 ARG 48 53.495 0.475 19.525 390 HH12 ARG 48 HH12 ARG 48 52.312 0.030 18.340 391 HH21 ARG 48 HH21 ARG 48 53.724 1.896 15.798 392 HH22 ARG 48 HH22 ARG 48 52.441 0.827 16.257 393 H LEU 49 H LEU 49 53.131 7.347 21.795 394 HA LEU 49 HA LEU 49 53.085 9.094 19.542 395 HB2 LEU 49 HB2 LEU 49 52.901 9.701 22.503 396 HB3 LEU 49 HB3 LEU 49 52.602 10.873 21.221 397 HG LEU 49 HG LEU 49 51.084 8.267 21.534 398 HD11 LEU 49 HD11 LEU 49 49.381 9.447 22.630 399 HD12 LEU 49 HD12 LEU 49 49.955 11.009 22.048 400 HD13 LEU 49 HD13 LEU 49 50.831 10.168 23.327 401 HD21 LEU 49 HD21 LEU 49 50.989 10.596 19.634 402 HD22 LEU 49 HD22 LEU 49 49.495 9.736 20.012 403 HD23 LEU 49 HD23 LEU 49 50.852 8.872 19.290 404 H ASN 50 H ASN 50 54.375 10.843 19.032 405 HA ASN 50 HA ASN 50 57.150 10.602 19.956 406 HB2 ASN 50 HB2 ASN 50 55.945 12.142 17.646 407 HB3 ASN 50 HB3 ASN 50 57.664 12.048 18.019 408 HD21 ASN 50 HD21 ASN 50 58.793 10.331 17.095 409 HD22 ASN 50 HD22 ASN 50 58.064 8.991 16.358 410 H GLY 51 H GLY 51 54.489 12.953 19.707 411 HA2 GLY 51 HA2 GLY 51 55.961 14.726 21.534 412 HA3 GLY 51 HA3 GLY 51 55.580 15.364 19.945 413 H LEU 52 H LEU 52 54.768 16.614 22.191 414 HA LEU 52 HA LEU 52 51.828 16.247 22.152 415 HB2 LEU 52 HB2 LEU 52 53.500 17.153 24.511 416 HB3 LEU 52 HB3 LEU 52 51.749 16.954 24.489 417 HG LEU 52 HG LEU 52 53.749 14.724 24.010 418 HD11 LEU 52 HD11 LEU 52 52.079 15.450 26.433 419 HD12 LEU 52 HD12 LEU 52 53.839 15.457 26.331 420 HD13 LEU 52 HD13 LEU 52 52.957 13.932 26.250 421 HD21 LEU 52 HD21 LEU 52 51.651 14.285 22.878 422 HD22 LEU 52 HD22 LEU 52 50.731 14.792 24.294 423 HD23 LEU 52 HD23 LEU 52 51.684 13.309 24.346 424 H VAL 53 H VAL 53 50.606 18.156 22.049 425 HA VAL 53 HA VAL 53 52.158 20.656 21.639 426 HB VAL 53 HB VAL 53 49.579 19.830 20.275 427 HG11 VAL 53 HG11 VAL 53 51.401 22.230 19.945 428 HG12 VAL 53 HG12 VAL 53 49.729 22.241 20.504 429 HG13 VAL 53 HG13 VAL 53 50.097 21.818 18.832 430 HG21 VAL 53 HG21 VAL 53 51.833 18.651 19.615 431 HG22 VAL 53 HG22 VAL 53 52.227 20.209 18.896 432 HG23 VAL 53 HG23 VAL 53 50.811 19.320 18.348 433 H VAL 54 H VAL 54 51.664 22.276 23.002 434 HA VAL 54 HA VAL 54 48.909 22.410 24.081 435 HB VAL 54 HB VAL 54 49.893 23.569 26.082 436 HG11 VAL 54 HG11 VAL 54 49.164 21.432 26.548 437 HG12 VAL 54 HG12 VAL 54 50.869 21.299 26.981 438 HG13 VAL 54 HG13 VAL 54 50.299 20.676 25.431 439 HG21 VAL 54 HG21 VAL 54 52.165 23.857 24.800 440 HG22 VAL 54 HG22 VAL 54 52.494 22.229 25.397 441 HG23 VAL 54 HG23 VAL 54 52.179 23.539 26.536 442 H SER 55 H SER 55 47.909 24.335 23.981 443 HA SER 55 HA SER 55 49.332 26.503 22.588 444 HB2 SER 55 HB2 SER 55 46.426 25.802 22.893 445 HB3 SER 55 HB3 SER 55 46.939 27.392 22.338 446 HG SER 55 HG SER 55 47.980 26.362 20.665 447 H SER 56 H SER 56 48.601 25.752 25.795 448 HA SER 56 HA SER 56 48.824 28.531 26.587 449 HB2 SER 56 HB2 SER 56 46.719 28.698 27.742 450 HB3 SER 56 HB3 SER 56 46.393 28.249 26.073 451 HG SER 56 HG SER 56 46.295 26.096 26.865 452 H GLY 57 H GLY 57 49.105 28.829 28.857 453 HA2 GLY 57 HA2 GLY 57 50.650 26.910 30.172 454 HA3 GLY 57 HA3 GLY 57 49.852 28.267 30.961 455 H GLN 58 H GLN 58 47.157 27.515 30.304 456 HA GLN 58 HA GLN 58 46.512 25.912 32.504 457 HB2 GLN 58 HB2 GLN 58 44.941 27.452 31.324 458 HB3 GLN 58 HB3 GLN 58 44.849 26.287 30.003 459 HG2 GLN 58 HG2 GLN 58 44.005 24.575 31.543 460 HG3 GLN 58 HG3 GLN 58 44.140 25.699 32.892 461 HE21 GLN 58 HE21 GLN 58 41.636 24.665 32.489 462 HE22 GLN 58 HE22 GLN 58 40.606 25.816 31.786 463 H GLY 59 H GLY 59 46.741 25.036 29.052 464 HA2 GLY 59 HA2 GLY 59 46.037 22.332 29.303 465 HA3 GLY 59 HA3 GLY 59 47.051 23.001 28.027 466 H LEU 60 H LEU 60 49.197 23.941 29.537 467 HA LEU 60 HA LEU 60 50.830 21.683 29.685 468 HB2 LEU 60 HB2 LEU 60 51.621 24.026 29.446 469 HB3 LEU 60 HB3 LEU 60 51.195 24.317 31.133 470 HG LEU 60 HG LEU 60 52.729 22.361 31.724 471 HD11 LEU 60 HD11 LEU 60 53.509 22.797 28.829 472 HD12 LEU 60 HD12 LEU 60 52.891 21.308 29.546 473 HD13 LEU 60 HD13 LEU 60 54.491 21.903 29.989 474 HD21 LEU 60 HD21 LEU 60 53.311 24.812 31.929 475 HD22 LEU 60 HD22 LEU 60 54.072 24.700 30.342 476 HD23 LEU 60 HD23 LEU 60 54.702 23.754 31.691 477 H GLN 61 H GLN 61 49.216 23.474 32.285 478 HA GLN 61 HA GLN 61 50.237 21.942 34.430 479 HB2 GLN 61 HB2 GLN 61 47.682 23.546 34.193 480 HB3 GLN 61 HB3 GLN 61 48.280 22.858 35.703 481 HG2 GLN 61 HG2 GLN 61 49.802 24.816 33.957 482 HG3 GLN 61 HG3 GLN 61 48.956 25.230 35.447 483 HE21 GLN 61 HE21 GLN 61 52.018 24.780 34.419 484 HE22 GLN 61 HE22 GLN 61 52.705 24.071 35.798 485 H ASN 62 H ASN 62 47.252 21.615 32.529 486 HA ASN 62 HA ASN 62 46.142 19.447 33.917 487 HB2 ASN 62 HB2 ASN 62 45.980 20.125 30.974 488 HB3 ASN 62 HB3 ASN 62 44.941 18.965 31.801 489 HD21 ASN 62 HD21 ASN 62 44.652 21.918 30.607 490 HD22 ASN 62 HD22 ASN 62 43.702 22.670 31.794 491 H LEU 63 H LEU 63 48.563 19.536 31.342 492 HA LEU 63 HA LEU 63 48.709 16.806 30.743 493 HB2 LEU 63 HB2 LEU 63 49.868 18.633 29.491 494 HB3 LEU 63 HB3 LEU 63 51.001 18.787 30.830 495 HG LEU 63 HG LEU 63 51.456 16.267 30.501 496 HD11 LEU 63 HD11 LEU 63 51.002 15.427 28.236 497 HD12 LEU 63 HD12 LEU 63 50.169 16.928 27.836 498 HD13 LEU 63 HD13 LEU 63 49.494 15.843 29.051 499 HD21 LEU 63 HD21 LEU 63 52.967 16.784 28.513 500 HD22 LEU 63 HD22 LEU 63 53.144 17.857 29.902 501 HD23 LEU 63 HD23 LEU 63 52.234 18.388 28.488 502 H TYR 64 H TYR 64 50.404 18.723 33.189 503 HA TYR 64 HA TYR 64 52.053 16.675 34.193 504 HB2 TYR 64 HB2 TYR 64 52.183 19.173 34.631 505 HB3 TYR 64 HB3 TYR 64 50.891 18.950 35.794 506 HD1 TYR 64 HD1 TYR 64 51.304 17.874 37.938 507 HD2 TYR 64 HD2 TYR 64 54.422 18.245 35.003 508 HE1 TYR 64 HE1 TYR 64 52.995 17.277 39.653 509 HE2 TYR 64 HE2 TYR 64 56.099 17.655 36.707 510 HH TYR 64 HH TYR 64 56.216 17.751 39.269 511 H GLN 65 H GLN 65 48.844 17.791 35.245 512 HA GLN 65 HA GLN 65 48.636 16.100 37.494 513 HB2 GLN 65 HB2 GLN 65 46.479 17.327 35.762 514 HB3 GLN 65 HB3 GLN 65 46.187 16.542 37.315 515 HG2 GLN 65 HG2 GLN 65 47.644 18.150 38.440 516 HG3 GLN 65 HG3 GLN 65 48.038 18.905 36.899 517 HE21 GLN 65 HE21 GLN 65 46.844 20.395 39.034 518 HE22 GLN 65 HE22 GLN 65 45.278 20.844 38.559 519 H LEU 66 H LEU 66 47.554 15.652 34.140 520 HA LEU 66 HA LEU 66 46.313 13.142 34.572 521 HB2 LEU 66 HB2 LEU 66 47.441 14.379 32.053 522 HB3 LEU 66 HB3 LEU 66 46.486 12.898 32.088 523 HG LEU 66 HG LEU 66 45.519 15.552 33.188 524 HD11 LEU 66 HD11 LEU 66 45.287 14.276 30.474 525 HD12 LEU 66 HD12 LEU 66 45.590 15.964 30.883 526 HD13 LEU 66 HD13 LEU 66 43.973 15.286 31.078 527 HD21 LEU 66 HD21 LEU 66 43.291 14.296 32.910 528 HD22 LEU 66 HD22 LEU 66 44.335 13.763 34.226 529 HD23 LEU 66 HD23 LEU 66 44.266 12.838 32.727 530 H ALA 67 H ALA 67 49.625 14.044 33.734 531 HA ALA 67 HA ALA 67 50.604 11.496 33.100 532 HB1 ALA 67 HB1 ALA 67 52.819 12.438 33.786 533 HB2 ALA 67 HB2 ALA 67 51.976 13.866 34.386 534 HB3 ALA 67 HB3 ALA 67 51.931 13.472 32.667 535 H ALA 68 H ALA 68 50.253 13.133 36.231 536 HA ALA 68 HA ALA 68 50.138 12.277 38.355 537 HB1 ALA 68 HB1 ALA 68 48.806 10.425 38.541 538 HB2 ALA 68 HB2 ALA 68 49.770 9.485 37.404 539 HB3 ALA 68 HB3 ALA 68 48.604 10.663 36.804 540 H ALA 69 H ALA 69 51.106 9.292 38.807 541 HA ALA 69 HA ALA 69 53.641 10.038 39.762 542 HB1 ALA 69 HB1 ALA 69 53.955 7.629 40.171 543 HB2 ALA 69 HB2 ALA 69 52.528 7.283 39.195 544 HB3 ALA 69 HB3 ALA 69 52.368 8.183 40.705 545 H ASP 70 H ASP 70 52.706 9.153 36.547 546 HA ASP 70 HA ASP 70 55.343 8.048 35.901 547 HB2 ASP 70 HB2 ASP 70 52.850 8.356 34.224 548 HB3 ASP 70 HB3 ASP 70 54.333 7.549 33.712 549 H TRP 71 H TRP 71 54.463 11.134 36.265 550 HA TRP 71 HA TRP 71 54.910 12.496 33.937 551 HB2 TRP 71 HB2 TRP 71 54.307 13.685 35.880 552 HB3 TRP 71 HB3 TRP 71 55.717 13.145 36.755 553 HD1 TRP 71 HD1 TRP 71 57.517 14.883 36.980 554 HE1 TRP 71 HE1 TRP 71 58.213 17.009 35.704 555 HE3 TRP 71 HE3 TRP 71 54.227 14.706 33.071 556 HZ2 TRP 71 HZ2 TRP 71 57.507 18.431 33.336 557 HZ3 TRP 71 HZ3 TRP 71 54.271 16.454 31.319 558 HH2 TRP 71 HH2 TRP 71 55.907 18.316 31.444 559 HA PRO 72 HA PRO 72 59.830 12.193 34.719 560 HB2 PRO 72 HB2 PRO 72 59.614 9.276 35.381 561 HB3 PRO 72 HB3 PRO 72 60.855 10.454 35.859 562 HG2 PRO 72 HG2 PRO 72 58.947 9.686 37.544 563 HG3 PRO 72 HG3 PRO 72 59.566 11.346 37.528 564 HD2 PRO 72 HD2 PRO 72 56.941 10.327 36.621 565 HD3 PRO 72 HD3 PRO 72 57.400 11.961 37.141 566 H GLU 73 H GLU 73 57.748 9.504 33.576 567 HA GLU 73 HA GLU 73 59.535 8.887 31.387 568 HB2 GLU 73 HB2 GLU 73 56.714 7.971 31.991 569 HB3 GLU 73 HB3 GLU 73 57.728 7.330 30.698 570 HG2 GLU 73 HG2 GLU 73 58.426 7.286 33.647 571 HG3 GLU 73 HG3 GLU 73 57.823 5.912 32.729 572 H ILE 74 H ILE 74 56.329 10.384 31.720 573 HA ILE 74 HA ILE 74 55.846 10.789 28.982 574 HB ILE 74 HB ILE 74 54.825 12.295 31.403 575 HG12 ILE 74 HG12 ILE 74 53.531 10.110 29.753 576 HG13 ILE 74 HG13 ILE 74 54.447 9.790 31.224 577 HG21 ILE 74 HG21 ILE 74 53.618 12.161 28.621 578 HG22 ILE 74 HG22 ILE 74 54.530 13.545 29.229 579 HG23 ILE 74 HG23 ILE 74 53.016 13.082 30.000 580 HD11 ILE 74 HD11 ILE 74 52.284 11.850 31.368 581 HD12 ILE 74 HD12 ILE 74 52.840 10.711 32.592 582 HD13 ILE 74 HD13 ILE 74 51.806 10.158 31.278 583 H GLY 75 H GLY 75 57.528 12.787 31.345 584 HA2 GLY 75 HA2 GLY 75 57.656 15.191 29.902 585 HA3 GLY 75 HA3 GLY 75 58.771 14.701 31.168 586 H ARG 76 H ARG 76 59.277 12.222 29.292 587 HA ARG 76 HA ARG 76 61.687 13.166 28.155 588 HB2 ARG 76 HB2 ARG 76 60.098 10.647 27.621 589 HB3 ARG 76 HB3 ARG 76 61.759 10.928 27.089 590 HG2 ARG 76 HG2 ARG 76 62.467 11.239 29.421 591 HG3 ARG 76 HG3 ARG 76 60.814 10.975 29.969 592 HD2 ARG 76 HD2 ARG 76 62.014 8.911 30.237 593 HD3 ARG 76 HD3 ARG 76 60.902 8.707 28.885 594 HE ARG 76 HE ARG 76 63.170 9.518 27.654 595 HH11 ARG 76 HH11 ARG 76 62.613 6.990 30.025 596 HH12 ARG 76 HH12 ARG 76 63.922 6.018 29.443 597 HH21 ARG 76 HH21 ARG 76 64.842 8.223 26.949 598 HH22 ARG 76 HH22 ARG 76 65.168 6.708 27.723 599 H LEU 77 H LEU 77 58.419 12.922 26.884 600 HA LEU 77 HA LEU 77 59.186 12.961 24.134 601 HB2 LEU 77 HB2 LEU 77 56.546 13.504 25.501 602 HB3 LEU 77 HB3 LEU 77 56.750 13.419 23.751 603 HG LEU 77 HG LEU 77 57.761 11.170 25.467 604 HD11 LEU 77 HD11 LEU 77 55.440 11.536 26.200 605 HD12 LEU 77 HD12 LEU 77 55.556 10.065 25.234 606 HD13 LEU 77 HD13 LEU 77 54.901 11.538 24.521 607 HD21 LEU 77 HD21 LEU 77 58.330 11.187 23.088 608 HD22 LEU 77 HD22 LEU 77 56.631 11.396 22.658 609 HD23 LEU 77 HD23 LEU 77 57.174 9.892 23.402 610 HA PRO 78 HA PRO 78 59.923 17.436 23.932 611 HB2 PRO 78 HB2 PRO 78 59.013 17.217 21.104 612 HB3 PRO 78 HB3 PRO 78 60.514 17.898 21.765 613 HG2 PRO 78 HG2 PRO 78 60.493 15.559 20.514 614 HG3 PRO 78 HG3 PRO 78 61.539 15.852 21.917 615 HD2 PRO 78 HD2 PRO 78 58.989 14.293 21.772 616 HD3 PRO 78 HD3 PRO 78 60.445 13.988 22.743 617 H LEU 79 H LEU 79 58.621 19.078 24.477 618 HA LEU 79 HA LEU 79 55.763 18.956 23.718 619 HB2 LEU 79 HB2 LEU 79 56.309 19.025 26.153 620 HB3 LEU 79 HB3 LEU 79 57.071 20.595 25.900 621 HG LEU 79 HG LEU 79 54.850 21.359 24.889 622 HD11 LEU 79 HD11 LEU 79 54.099 18.658 25.998 623 HD12 LEU 79 HD12 LEU 79 53.706 19.351 24.425 624 HD13 LEU 79 HD13 LEU 79 52.907 19.952 25.877 625 HD21 LEU 79 HD21 LEU 79 55.377 22.169 27.057 626 HD22 LEU 79 HD22 LEU 79 55.173 20.577 27.788 627 HD23 LEU 79 HD23 LEU 79 53.764 21.473 27.220 628 H PHE 80 H PHE 80 54.988 20.400 22.311 629 HA PHE 80 HA PHE 80 56.636 22.641 21.412 630 HB2 PHE 80 HB2 PHE 80 53.857 21.764 20.598 631 HB3 PHE 80 HB3 PHE 80 54.786 23.029 19.830 632 HD1 PHE 80 HD1 PHE 80 53.892 19.606 19.776 633 HD2 PHE 80 HD2 PHE 80 57.111 22.286 18.822 634 HE1 PHE 80 HE1 PHE 80 54.812 17.936 18.193 635 HE2 PHE 80 HE2 PHE 80 58.032 20.612 17.238 636 HZ PHE 80 HZ PHE 80 56.871 18.441 16.914 637 H VAL 81 H VAL 81 56.455 24.611 22.365 638 HA VAL 81 HA VAL 81 53.918 25.284 23.740 639 HB VAL 81 HB VAL 81 55.207 26.788 25.159 640 HG11 VAL 81 HG11 VAL 81 56.310 25.111 26.476 641 HG12 VAL 81 HG12 VAL 81 56.569 24.088 25.062 642 HG13 VAL 81 HG13 VAL 81 54.939 24.327 25.690 643 HG21 VAL 81 HG21 VAL 81 57.047 27.605 24.034 644 HG22 VAL 81 HG22 VAL 81 57.391 26.067 23.248 645 HG23 VAL 81 HG23 VAL 81 57.842 26.313 24.933 646 HA PRO 82 HA PRO 82 53.486 28.368 20.653 647 HB2 PRO 82 HB2 PRO 82 51.659 30.037 21.734 648 HB3 PRO 82 HB3 PRO 82 51.259 28.372 21.267 649 HG2 PRO 82 HG2 PRO 82 51.760 29.510 23.956 650 HG3 PRO 82 HG3 PRO 82 50.630 28.241 23.454 651 HD2 PRO 82 HD2 PRO 82 53.112 27.795 24.653 652 HD3 PRO 82 HD3 PRO 82 52.178 26.589 23.745 653 H SER 83 H SER 83 54.624 29.390 23.795 654 HA SER 83 HA SER 83 55.703 31.856 22.623 655 HB2 SER 83 HB2 SER 83 54.715 33.304 24.210 656 HB3 SER 83 HB3 SER 83 53.400 32.269 23.665 657 HG SER 83 HG SER 83 53.542 32.413 25.932 658 HA PRO 84 HA PRO 84 59.226 31.142 25.229 659 HB2 PRO 84 HB2 PRO 84 58.996 33.908 26.308 660 HB3 PRO 84 HB3 PRO 84 60.372 33.114 25.516 661 HG2 PRO 84 HG2 PRO 84 58.919 34.955 24.263 662 HG3 PRO 84 HG3 PRO 84 59.591 33.555 23.407 663 HD2 PRO 84 HD2 PRO 84 56.769 34.061 24.254 664 HD3 PRO 84 HD3 PRO 84 57.383 33.209 22.820 665 H ARG 85 H ARG 85 56.634 33.029 26.808 666 HA ARG 85 HA ARG 85 57.320 32.475 29.466 667 HB2 ARG 85 HB2 ARG 85 54.586 32.945 28.255 668 HB3 ARG 85 HB3 ARG 85 54.951 32.999 29.980 669 HG2 ARG 85 HG2 ARG 85 56.622 34.795 29.536 670 HG3 ARG 85 HG3 ARG 85 56.143 34.785 27.838 671 HD2 ARG 85 HD2 ARG 85 53.780 35.251 28.589 672 HD3 ARG 85 HD3 ARG 85 54.404 35.469 30.221 673 HE ARG 85 HE ARG 85 55.919 37.118 28.568 674 HH11 ARG 85 HH11 ARG 85 52.544 36.870 29.503 675 HH12 ARG 85 HH12 ARG 85 52.258 38.566 29.295 676 HH21 ARG 85 HH21 ARG 85 55.492 39.291 28.316 677 HH22 ARG 85 HH22 ARG 85 53.907 39.919 28.631 678 H VAL 86 H VAL 86 55.075 30.738 27.297 679 HA VAL 86 HA VAL 86 54.316 28.744 29.127 680 HB VAL 86 HB VAL 86 54.560 28.542 26.113 681 HG11 VAL 86 HG11 VAL 86 54.283 26.332 26.990 682 HG12 VAL 86 HG12 VAL 86 52.677 26.853 26.479 683 HG13 VAL 86 HG13 VAL 86 53.111 26.882 28.188 684 HG21 VAL 86 HG21 VAL 86 52.132 29.207 27.796 685 HG22 VAL 86 HG22 VAL 86 52.271 29.279 26.040 686 HG23 VAL 86 HG23 VAL 86 53.146 30.436 27.042 687 H ALA 87 H ALA 87 57.046 28.919 26.868 688 HA ALA 87 HA ALA 87 58.019 26.313 27.160 689 HB1 ALA 87 HB1 ALA 87 58.771 28.330 25.626 690 HB2 ALA 87 HB2 ALA 87 59.918 27.066 26.073 691 HB3 ALA 87 HB3 ALA 87 59.927 28.607 26.931 692 H GLU 88 H GLU 88 58.650 29.230 29.074 693 HA GLU 88 HA GLU 88 60.634 28.148 30.750 694 HB2 GLU 88 HB2 GLU 88 58.609 30.330 31.299 695 HB3 GLU 88 HB3 GLU 88 60.007 29.979 32.317 696 HG2 GLU 88 HG2 GLU 88 60.130 30.736 29.386 697 HG3 GLU 88 HG3 GLU 88 60.466 31.824 30.726 698 H MET 89 H MET 89 57.097 28.239 31.079 699 HA MET 89 HA MET 89 56.917 27.146 33.659 700 HB2 MET 89 HB2 MET 89 55.027 26.862 31.308 701 HB3 MET 89 HB3 MET 89 54.629 26.445 32.977 702 HG2 MET 89 HG2 MET 89 55.192 28.806 33.630 703 HG3 MET 89 HG3 MET 89 55.376 29.184 31.918 704 HE1 MET 89 HE1 MET 89 53.232 28.267 34.826 705 HE2 MET 89 HE2 MET 89 52.778 26.849 33.884 706 HE3 MET 89 HE3 MET 89 51.579 28.094 34.224 707 H ALA 90 H ALA 90 57.033 25.568 30.487 708 HA ALA 90 HA ALA 90 56.672 22.923 31.371 709 HB1 ALA 90 HB1 ALA 90 57.226 22.278 29.215 710 HB2 ALA 90 HB2 ALA 90 58.460 23.528 29.046 711 HB3 ALA 90 HB3 ALA 90 56.751 23.957 28.953 712 H ARG 91 H ARG 91 59.608 24.867 30.982 713 HA ARG 91 HA ARG 91 61.477 22.836 31.522 714 HB2 ARG 91 HB2 ARG 91 62.039 25.081 30.594 715 HB3 ARG 91 HB3 ARG 91 61.726 25.781 32.182 716 HG2 ARG 91 HG2 ARG 91 63.468 24.304 33.157 717 HG3 ARG 91 HG3 ARG 91 63.812 23.674 31.545 718 HD2 ARG 91 HD2 ARG 91 64.334 25.999 30.797 719 HD3 ARG 91 HD3 ARG 91 64.104 26.550 32.454 720 HE ARG 91 HE ARG 91 65.973 24.421 32.407 721 HH11 ARG 91 HH11 ARG 91 65.742 27.809 31.516 722 HH12 ARG 91 HH12 ARG 91 67.442 28.080 31.715 723 HH21 ARG 91 HH21 ARG 91 68.152 24.830 32.648 724 HH22 ARG 91 HH22 ARG 91 68.788 26.413 32.348 725 H GLU 92 H GLU 92 59.807 25.100 33.699 726 HA GLU 92 HA GLU 92 61.188 24.411 36.048 727 HB2 GLU 92 HB2 GLU 92 58.360 25.419 35.683 728 HB3 GLU 92 HB3 GLU 92 59.195 25.329 37.234 729 HG2 GLU 92 HG2 GLU 92 60.992 26.784 36.321 730 HG3 GLU 92 HG3 GLU 92 60.091 26.925 34.819 731 H LEU 93 H LEU 93 58.335 22.955 34.534 732 HA LEU 93 HA LEU 93 57.731 21.149 36.627 733 HB2 LEU 93 HB2 LEU 93 57.259 20.780 33.663 734 HB3 LEU 93 HB3 LEU 93 56.497 19.859 34.952 735 HG LEU 93 HG LEU 93 56.205 22.845 34.492 736 HD11 LEU 93 HD11 LEU 93 54.408 20.452 34.041 737 HD12 LEU 93 HD12 LEU 93 54.952 21.630 32.845 738 HD13 LEU 93 HD13 LEU 93 53.796 22.107 34.090 739 HD21 LEU 93 HD21 LEU 93 55.139 20.970 36.619 740 HD22 LEU 93 HD22 LEU 93 54.340 22.496 36.235 741 HD23 LEU 93 HD23 LEU 93 55.995 22.496 36.846 742 H GLY 94 H GLY 94 60.300 21.091 34.280 743 HA2 GLY 94 HA2 GLY 94 62.145 19.577 34.631 744 HA3 GLY 94 HA3 GLY 94 61.000 18.361 35.170 745 H ALA 95 H ALA 95 59.975 20.093 32.330 746 HA ALA 95 HA ALA 95 59.824 17.750 30.783 747 HB1 ALA 95 HB1 ALA 95 60.012 20.580 29.727 748 HB2 ALA 95 HB2 ALA 95 58.535 19.871 30.381 749 HB3 ALA 95 HB3 ALA 95 59.272 19.190 28.931 750 H GLN 96 H GLN 96 61.312 16.647 29.693 751 HA GLN 96 HA GLN 96 64.056 17.345 30.072 752 HB2 GLN 96 HB2 GLN 96 62.783 15.101 28.490 753 HB3 GLN 96 HB3 GLN 96 64.501 15.225 28.882 754 HG2 GLN 96 HG2 GLN 96 63.934 15.271 31.296 755 HG3 GLN 96 HG3 GLN 96 62.232 15.081 30.887 756 HE21 GLN 96 HE21 GLN 96 62.250 13.009 32.102 757 HE22 GLN 96 HE22 GLN 96 62.919 11.621 31.403 758 H ARG 97 H ARG 97 61.837 17.444 27.326 759 HA ARG 97 HA ARG 97 63.883 18.984 25.845 760 HB2 ARG 97 HB2 ARG 97 63.673 16.684 24.911 761 HB3 ARG 97 HB3 ARG 97 61.959 16.982 24.636 762 HG2 ARG 97 HG2 ARG 97 62.989 17.447 22.553 763 HG3 ARG 97 HG3 ARG 97 62.707 19.033 23.268 764 HD2 ARG 97 HD2 ARG 97 65.047 19.045 24.108 765 HD3 ARG 97 HD3 ARG 97 65.315 17.489 23.331 766 HE ARG 97 HE ARG 97 65.323 20.048 22.064 767 HH11 ARG 97 HH11 ARG 97 64.474 16.691 21.484 768 HH12 ARG 97 HH12 ARG 97 64.680 16.832 19.770 769 HH21 ARG 97 HH21 ARG 97 65.571 20.168 19.850 770 HH22 ARG 97 HH22 ARG 97 65.293 18.775 18.859 771 H VAL 98 H VAL 98 63.156 20.997 25.644 772 HA VAL 98 HA VAL 98 60.243 21.439 25.296 773 HB VAL 98 HB VAL 98 62.307 23.331 26.454 774 HG11 VAL 98 HG11 VAL 98 60.601 24.670 25.532 775 HG12 VAL 98 HG12 VAL 98 60.088 24.458 27.206 776 HG13 VAL 98 HG13 VAL 98 59.344 23.499 25.926 777 HG21 VAL 98 HG21 VAL 98 61.848 21.414 27.949 778 HG22 VAL 98 HG22 VAL 98 60.117 21.711 27.802 779 HG23 VAL 98 HG23 VAL 98 61.150 22.896 28.600 780 H ILE 99 H ILE 99 59.583 22.373 23.475 781 HA ILE 99 HA ILE 99 61.609 23.547 21.663 782 HB ILE 99 HB ILE 99 59.123 21.946 20.994 783 HG12 ILE 99 HG12 ILE 99 62.037 21.275 20.505 784 HG13 ILE 99 HG13 ILE 99 61.138 20.703 21.909 785 HG21 ILE 99 HG21 ILE 99 60.428 22.080 18.652 786 HG22 ILE 99 HG22 ILE 99 60.985 23.602 19.347 787 HG23 ILE 99 HG23 ILE 99 59.258 23.303 19.145 788 HD11 ILE 99 HD11 ILE 99 59.556 19.532 20.489 789 HD12 ILE 99 HD12 ILE 99 61.186 19.053 20.016 790 HD13 ILE 99 HD13 ILE 99 60.290 20.216 19.039 791 H ASP 100 H ASP 100 61.295 25.642 21.243 792 HA ASP 100 HA ASP 100 58.675 26.853 21.781 793 HB2 ASP 100 HB2 ASP 100 60.792 27.887 22.663 794 HB3 ASP 100 HB3 ASP 100 61.266 28.207 20.998 795 H CYS 101 H CYS 101 57.261 27.040 20.146 796 HA CYS 101 HA CYS 101 58.264 26.894 17.390 797 HB2 CYS 101 HB2 CYS 101 55.977 26.389 16.759 798 HB3 CYS 101 HB3 CYS 101 56.485 25.335 18.078 799 HG CYS 101 HG CYS 101 54.441 26.175 19.209 800 H ARG 102 H ARG 102 57.584 29.389 19.483 801 HA ARG 102 HA ARG 102 55.922 31.120 18.061 802 HB2 ARG 102 HB2 ARG 102 56.749 31.512 20.373 803 HB3 ARG 102 HB3 ARG 102 58.345 31.864 19.718 804 HG2 ARG 102 HG2 ARG 102 57.333 33.987 20.012 805 HG3 ARG 102 HG3 ARG 102 57.178 33.661 18.288 806 HD2 ARG 102 HD2 ARG 102 54.869 32.817 18.682 807 HD3 ARG 102 HD3 ARG 102 55.035 33.223 20.387 808 HE ARG 102 HE ARG 102 54.681 35.081 18.169 809 HH11 ARG 102 HH11 ARG 102 55.498 34.713 21.563 810 HH12 ARG 102 HH12 ARG 102 55.156 36.372 21.928 811 HH21 ARG 102 HH21 ARG 102 54.256 37.205 18.698 812 HH22 ARG 102 HH22 ARG 102 54.462 37.764 20.324 813 H GLY 103 H GLY 103 59.406 30.542 17.747 814 HA2 GLY 103 HA2 GLY 103 59.519 32.378 15.453 815 HA3 GLY 103 HA3 GLY 103 60.903 31.671 16.280 816 H ALA 104 H ALA 104 59.876 28.957 16.279 817 HA ALA 104 HA ALA 104 60.785 28.134 13.696 818 HB1 ALA 104 HB1 ALA 104 59.305 26.295 15.541 819 HB2 ALA 104 HB2 ALA 104 60.889 26.906 16.019 820 HB3 ALA 104 HB3 ALA 104 60.716 25.971 14.534 821 H SER 105 H SER 105 59.654 27.324 11.976 822 HA SER 105 HA SER 105 56.813 27.993 11.871 823 HB2 SER 105 HB2 SER 105 58.732 27.032 9.734 824 HB3 SER 105 HB3 SER 105 57.049 27.467 9.454 825 HG SER 105 HG SER 105 57.632 29.472 9.599 826 H ALA 106 H ALA 106 55.294 26.438 10.864 827 HA ALA 106 HA ALA 106 55.016 24.088 12.248 828 HB1 ALA 106 HB1 ALA 106 53.544 23.352 10.318 829 HB2 ALA 106 HB2 ALA 106 54.016 24.847 9.509 830 HB3 ALA 106 HB3 ALA 106 53.154 24.909 11.046 831 HA PRO 107 HA PRO 107 56.981 21.447 8.715 832 HB2 PRO 107 HB2 PRO 107 58.941 22.792 7.237 833 HB3 PRO 107 HB3 PRO 107 57.318 22.365 6.666 834 HG2 PRO 107 HG2 PRO 107 58.348 24.947 7.669 835 HG3 PRO 107 HG3 PRO 107 57.125 24.614 6.432 836 HD2 PRO 107 HD2 PRO 107 56.471 25.477 8.896 837 HD3 PRO 107 HD3 PRO 107 55.415 24.388 7.976 838 H ALA 108 H ALA 108 58.833 24.089 10.170 839 HA ALA 108 HA ALA 108 61.240 22.705 10.636 840 HB1 ALA 108 HB1 ALA 108 60.699 25.208 10.984 841 HB2 ALA 108 HB2 ALA 108 61.781 24.435 12.143 842 HB3 ALA 108 HB3 ALA 108 60.091 24.715 12.563 843 H LEU 109 H LEU 109 58.277 22.972 12.571 844 HA LEU 109 HA LEU 109 59.125 21.505 14.807 845 HB2 LEU 109 HB2 LEU 109 56.338 21.610 13.626 846 HB3 LEU 109 HB3 LEU 109 56.754 21.163 15.279 847 HG LEU 109 HG LEU 109 57.305 23.865 14.014 848 HD11 LEU 109 HD11 LEU 109 55.382 23.319 16.264 849 HD12 LEU 109 HD12 LEU 109 54.865 23.133 14.588 850 HD13 LEU 109 HD13 LEU 109 55.438 24.698 15.166 851 HD21 LEU 109 HD21 LEU 109 57.719 24.464 16.466 852 HD22 LEU 109 HD22 LEU 109 58.951 23.457 15.706 853 HD23 LEU 109 HD23 LEU 109 57.760 22.731 16.783 854 H LEU 110 H LEU 110 57.685 20.439 11.749 855 HA LEU 110 HA LEU 110 57.352 17.717 12.322 856 HB2 LEU 110 HB2 LEU 110 56.534 18.835 10.264 857 HB3 LEU 110 HB3 LEU 110 58.196 18.964 9.691 858 HG LEU 110 HG LEU 110 58.370 16.454 9.877 859 HD11 LEU 110 HD11 LEU 110 55.496 16.864 10.644 860 HD12 LEU 110 HD12 LEU 110 56.690 15.774 11.348 861 HD13 LEU 110 HD13 LEU 110 55.963 15.395 9.786 862 HD21 LEU 110 HD21 LEU 110 56.982 16.037 7.835 863 HD22 LEU 110 HD22 LEU 110 57.961 17.499 7.710 864 HD23 LEU 110 HD23 LEU 110 56.236 17.620 8.061 865 H ALA 111 H ALA 111 60.162 19.464 11.056 866 HA ALA 111 HA ALA 111 61.879 17.255 10.750 867 HB1 ALA 111 HB1 ALA 111 62.226 19.643 9.916 868 HB2 ALA 111 HB2 ALA 111 63.647 18.831 10.570 869 HB3 ALA 111 HB3 ALA 111 62.786 20.022 11.544 870 H ALA 112 H ALA 112 61.238 19.338 13.542 871 HA ALA 112 HA ALA 112 63.279 18.387 15.218 872 HB1 ALA 112 HB1 ALA 112 60.541 19.480 15.906 873 HB2 ALA 112 HB2 ALA 112 62.045 20.393 15.785 874 HB3 ALA 112 HB3 ALA 112 61.831 19.212 17.078 875 H LEU 113 H LEU 113 59.965 17.220 14.717 876 HA LEU 113 HA LEU 113 59.908 15.292 16.758 877 HB2 LEU 113 HB2 LEU 113 58.466 15.707 14.178 878 HB3 LEU 113 HB3 LEU 113 58.332 14.117 14.924 879 HG LEU 113 HG LEU 113 57.902 16.573 16.603 880 HD11 LEU 113 HD11 LEU 113 55.921 15.306 14.692 881 HD12 LEU 113 HD12 LEU 113 56.437 16.992 14.731 882 HD13 LEU 113 HD13 LEU 113 55.445 16.342 16.036 883 HD21 LEU 113 HD21 LEU 113 56.167 14.822 17.528 884 HD22 LEU 113 HD22 LEU 113 57.879 14.626 17.907 885 HD23 LEU 113 HD23 LEU 113 57.144 13.661 16.627 886 H THR 114 H THR 114 60.839 14.976 13.346 887 HA THR 114 HA THR 114 61.377 12.204 13.479 888 HB THR 114 HB THR 114 62.518 12.515 11.327 889 HG1 THR 114 HG1 THR 114 63.538 14.398 11.537 890 HG21 THR 114 HG21 THR 114 59.917 12.716 11.741 891 HG22 THR 114 HG22 THR 114 60.590 13.082 10.153 892 HG23 THR 114 HG23 THR 114 60.179 14.392 11.260 893 H SER 115 H SER 115 63.494 15.022 13.907 894 HA SER 115 HA SER 115 65.928 13.614 14.065 895 HB2 SER 115 HB2 SER 115 65.709 16.087 13.796 896 HB3 SER 115 HB3 SER 115 65.203 16.186 15.479 897 HG SER 115 HG SER 115 67.358 16.418 15.501 898 H ALA 116 H ALA 116 63.631 14.581 16.603 899 HA ALA 116 HA ALA 116 65.134 13.737 18.812 900 HB1 ALA 116 HB1 ALA 116 63.054 13.806 20.049 901 HB2 ALA 116 HB2 ALA 116 62.119 13.713 18.557 902 HB3 ALA 116 HB3 ALA 116 63.074 15.152 18.910 903 H ALA 117 H ALA 117 62.855 11.962 16.755 904 HA ALA 117 HA ALA 117 62.744 9.574 18.209 905 HB1 ALA 117 HB1 ALA 117 62.062 8.526 16.112 906 HB2 ALA 117 HB2 ALA 117 62.665 9.913 15.203 907 HB3 ALA 117 HB3 ALA 117 61.284 10.099 16.285 908 H LEU 118 H LEU 118 65.173 10.761 15.939 909 HA LEU 118 HA LEU 118 66.570 8.366 15.496 910 HB2 LEU 118 HB2 LEU 118 67.645 11.193 15.633 911 HB3 LEU 118 HB3 LEU 118 68.495 9.813 14.940 912 HG LEU 118 HG LEU 118 65.788 10.788 13.991 913 HD11 LEU 118 HD11 LEU 118 66.919 11.838 12.156 914 HD12 LEU 118 HD12 LEU 118 68.463 11.121 12.614 915 HD13 LEU 118 HD13 LEU 118 67.744 12.381 13.617 916 HD21 LEU 118 HD21 LEU 118 65.970 8.530 13.365 917 HD22 LEU 118 HD22 LEU 118 67.715 8.637 13.138 918 HD23 LEU 118 HD23 LEU 118 66.627 9.370 11.960 919 H GLU 119 H GLU 119 66.776 10.696 18.151 920 HA GLU 119 HA GLU 119 69.136 9.729 19.341 921 HB2 GLU 119 HB2 GLU 119 66.721 11.037 20.614 922 HB3 GLU 119 HB3 GLU 119 68.281 10.810 21.406 923 HG2 GLU 119 HG2 GLU 119 67.834 12.367 18.845 924 HG3 GLU 119 HG3 GLU 119 68.065 13.080 20.436 925 H HIS 120 H HIS 120 65.770 8.691 19.659 926 HA HIS 120 HA HIS 120 66.001 6.995 21.859 927 HB2 HIS 120 HB2 HIS 120 64.271 6.781 19.398 928 HB3 HIS 120 HB3 HIS 120 64.094 5.746 20.803 929 HD1 HIS 120 HD1 HIS 120 63.849 9.396 19.801 930 HD2 HIS 120 HD2 HIS 120 62.595 6.869 22.870 931 HE1 HIS 120 HE1 HIS 120 62.260 10.747 21.235 932 H HIS 121 H HIS 121 66.823 6.428 18.467 933 HA HIS 121 HA HIS 121 67.685 3.685 19.145 934 HB2 HIS 121 HB2 HIS 121 67.212 4.985 16.460 935 HB3 HIS 121 HB3 HIS 121 67.725 3.326 16.707 936 HD1 HIS 121 HD1 HIS 121 65.917 1.877 18.247 937 HD2 HIS 121 HD2 HIS 121 64.487 5.260 16.274 938 HE1 HIS 121 HE1 HIS 121 63.399 1.635 18.147 939 H HIS 122 H HIS 122 69.781 3.118 19.078 940 HA HIS 122 HA HIS 122 71.735 5.105 18.061 941 HB2 HIS 122 HB2 HIS 122 71.993 3.225 20.409 942 HB3 HIS 122 HB3 HIS 122 73.281 4.237 19.785 943 HD1 HIS 122 HD1 HIS 122 72.626 6.934 19.812 944 HD2 HIS 122 HD2 HIS 122 70.530 4.427 22.400 945 HE1 HIS 122 HE1 HIS 122 71.593 8.429 21.575 946 H HIS 123 H HIS 123 73.035 4.414 16.500 947 HA HIS 123 HA HIS 123 72.844 1.885 15.309 948 HB2 HIS 123 HB2 HIS 123 75.070 3.920 15.201 949 HB3 HIS 123 HB3 HIS 123 74.968 2.514 14.159 950 HD1 HIS 123 HD1 HIS 123 73.510 5.904 14.726 951 HD2 HIS 123 HD2 HIS 123 72.941 2.686 12.137 952 HE1 HIS 123 HE1 HIS 123 72.040 6.749 12.847 953 H HIS 124 H HIS 124 75.090 3.127 17.746 954 HA HIS 124 HA HIS 124 76.960 1.054 17.749 955 HB2 HIS 124 HB2 HIS 124 77.205 3.177 18.988 956 HB3 HIS 124 HB3 HIS 124 75.965 2.652 20.111 957 HD1 HIS 124 HD1 HIS 124 76.642 0.964 21.921 958 HD2 HIS 124 HD2 HIS 124 79.726 1.828 19.251 959 HE1 HIS 124 HE1 HIS 124 78.748 -0.024 22.917 960 H HIS 125 H HIS 125 73.860 1.331 19.447 961 HA HIS 125 HA HIS 125 74.182 -1.402 20.488 962 HB2 HIS 125 HB2 HIS 125 72.087 0.696 21.067 963 HB3 HIS 125 HB3 HIS 125 72.176 -0.884 21.823 964 HD1 HIS 125 HD1 HIS 125 74.548 -1.301 23.179 965 HD2 HIS 125 HD2 HIS 125 73.451 2.652 22.437 966 HE1 HIS 125 HE1 HIS 125 75.888 0.126 24.783 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 59.168 7.657 9.593 2 H2 MET 1 HT2 MET 1 57.676 7.055 10.136 3 H3 MET 1 HT3 MET 1 58.108 8.668 10.449 4 HA MET 1 HA MET 1 58.228 8.909 7.914 5 HB2 MET 1 HB2 MET 1 56.501 6.439 8.256 6 HB3 MET 1 HB3 MET 1 56.661 7.362 6.761 7 HG2 MET 1 HG2 MET 1 59.141 6.944 6.852 8 HG3 MET 1 HG3 MET 1 58.857 5.867 8.219 9 HE1 MET 1 HE1 MET 1 56.671 6.244 4.678 10 HE2 MET 1 HE2 MET 1 57.974 5.418 3.826 11 HE3 MET 1 HE3 MET 1 58.325 6.860 4.776 12 H ASP 2 H ASP 2 55.660 7.750 10.090 13 HA ASP 2 HA ASP 2 54.189 10.270 9.593 14 HB2 ASP 2 HB2 ASP 2 52.086 8.942 9.915 15 HB3 ASP 2 HB3 ASP 2 52.975 8.537 8.451 16 HA PRO 3 HA PRO 3 55.311 9.671 14.096 17 HB2 PRO 3 HB2 PRO 3 55.507 12.393 14.612 18 HB3 PRO 3 HB3 PRO 3 56.863 11.353 14.131 19 HG2 PRO 3 HG2 PRO 3 55.209 13.184 12.471 20 HG3 PRO 3 HG3 PRO 3 56.956 12.874 12.422 21 HD2 PRO 3 HD2 PRO 3 55.307 11.775 10.601 22 HD3 PRO 3 HD3 PRO 3 56.717 10.887 11.223 23 H LYS 4 H LYS 4 54.048 10.140 15.977 24 HA LYS 4 HA LYS 4 51.316 11.116 15.376 25 HB2 LYS 4 HB2 LYS 4 52.293 9.219 17.524 26 HB3 LYS 4 HB3 LYS 4 50.628 9.767 17.343 27 HG2 LYS 4 HG2 LYS 4 50.606 8.805 15.037 28 HG3 LYS 4 HG3 LYS 4 52.225 8.164 15.324 29 HD2 LYS 4 HD2 LYS 4 51.337 6.929 17.304 30 HD3 LYS 4 HD3 LYS 4 49.717 7.488 16.885 31 HE2 LYS 4 HE2 LYS 4 49.863 6.365 14.712 32 HE3 LYS 4 HE3 LYS 4 51.510 5.847 15.072 33 HZ1 LYS 4 HZ1 LYS 4 49.473 5.179 17.040 34 HZ2 LYS 4 HZ2 LYS 4 50.804 4.270 16.500 35 HZ3 LYS 4 HZ3 LYS 4 49.388 4.349 15.563 36 H VAL 5 H VAL 5 50.453 12.770 16.586 37 HA VAL 5 HA VAL 5 51.890 13.584 19.029 38 HB VAL 5 HB VAL 5 51.455 15.984 18.417 39 HG11 VAL 5 HG11 VAL 5 53.400 14.186 17.013 40 HG12 VAL 5 HG12 VAL 5 53.692 15.378 18.281 41 HG13 VAL 5 HG13 VAL 5 53.377 15.908 16.628 42 HG21 VAL 5 HG21 VAL 5 51.319 16.402 15.922 43 HG22 VAL 5 HG22 VAL 5 49.839 15.777 16.647 44 HG23 VAL 5 HG23 VAL 5 50.893 14.704 15.726 45 H LEU 6 H LEU 6 50.716 14.335 20.663 46 HA LEU 6 HA LEU 6 47.780 14.123 20.402 47 HB2 LEU 6 HB2 LEU 6 48.920 12.639 22.061 48 HB3 LEU 6 HB3 LEU 6 49.458 14.081 22.920 49 HG LEU 6 HG LEU 6 46.968 14.755 22.980 50 HD11 LEU 6 HD11 LEU 6 46.841 11.894 22.042 51 HD12 LEU 6 HD12 LEU 6 45.942 13.290 21.450 52 HD13 LEU 6 HD13 LEU 6 45.539 12.580 23.012 53 HD21 LEU 6 HD21 LEU 6 46.571 13.301 24.966 54 HD22 LEU 6 HD22 LEU 6 48.188 14.004 24.968 55 HD23 LEU 6 HD23 LEU 6 47.960 12.320 24.498 56 H ILE 7 H ILE 7 46.511 15.846 20.770 57 HA ILE 7 HA ILE 7 47.842 18.405 21.406 58 HB ILE 7 HB ILE 7 45.121 17.990 20.148 59 HG12 ILE 7 HG12 ILE 7 47.641 18.816 18.694 60 HG13 ILE 7 HG13 ILE 7 47.126 17.129 18.765 61 HG21 ILE 7 HG21 ILE 7 45.251 20.162 21.088 62 HG22 ILE 7 HG22 ILE 7 45.672 20.393 19.391 63 HG23 ILE 7 HG23 ILE 7 46.940 20.355 20.617 64 HD11 ILE 7 HD11 ILE 7 45.184 19.266 17.924 65 HD12 ILE 7 HD12 ILE 7 45.153 17.538 17.578 66 HD13 ILE 7 HD13 ILE 7 46.320 18.583 16.761 67 H MET 8 H MET 8 47.301 19.509 23.198 68 HA MET 8 HA MET 8 45.180 18.457 24.916 69 HB2 MET 8 HB2 MET 8 47.288 20.581 25.365 70 HB3 MET 8 HB3 MET 8 46.124 20.048 26.578 71 HG2 MET 8 HG2 MET 8 46.970 17.695 26.240 72 HG3 MET 8 HG3 MET 8 48.251 18.369 25.230 73 HE1 MET 8 HE1 MET 8 46.412 18.191 28.310 74 HE2 MET 8 HE2 MET 8 46.726 19.844 28.836 75 HE3 MET 8 HE3 MET 8 47.521 18.497 29.648 76 H ARG 9 H ARG 9 43.296 19.488 25.320 77 HA ARG 9 HA ARG 9 42.317 21.301 23.394 78 HB2 ARG 9 HB2 ARG 9 40.937 19.682 24.698 79 HB3 ARG 9 HB3 ARG 9 41.139 20.712 26.115 80 HG2 ARG 9 HG2 ARG 9 40.125 22.602 24.867 81 HG3 ARG 9 HG3 ARG 9 39.867 21.531 23.488 82 HD2 ARG 9 HD2 ARG 9 38.508 20.039 24.968 83 HD3 ARG 9 HD3 ARG 9 38.676 21.228 26.256 84 HE ARG 9 HE ARG 9 37.141 22.584 25.160 85 HH11 ARG 9 HH11 ARG 9 38.119 20.005 22.988 86 HH12 ARG 9 HH12 ARG 9 36.897 20.387 21.821 87 HH21 ARG 9 HH21 ARG 9 35.587 23.029 23.621 88 HH22 ARG 9 HH22 ARG 9 35.482 22.078 22.177 89 H GLY 10 H GLY 10 41.811 23.458 23.475 90 HA2 GLY 10 HA2 GLY 10 42.187 25.099 25.791 91 HA3 GLY 10 HA3 GLY 10 43.509 25.268 24.642 92 H GLU 11 H GLU 11 42.208 27.516 25.029 93 HA GLU 11 HA GLU 11 39.803 27.988 23.682 94 HB2 GLU 11 HB2 GLU 11 42.136 29.852 24.164 95 HB3 GLU 11 HB3 GLU 11 40.530 30.363 23.638 96 HG2 GLU 11 HG2 GLU 11 39.562 29.311 25.675 97 HG3 GLU 11 HG3 GLU 11 41.185 28.902 26.212 98 H GLY 12 H GLY 12 43.103 27.828 22.440 99 HA2 GLY 12 HA2 GLY 12 42.790 29.100 19.981 100 HA3 GLY 12 HA3 GLY 12 43.910 27.775 20.282 101 H GLY 13 H GLY 13 42.694 28.039 17.803 102 HA2 GLY 13 HA2 GLY 13 40.342 26.329 17.706 103 HA3 GLY 13 HA3 GLY 13 41.143 27.086 16.333 104 H ARG 14 H ARG 14 40.732 24.238 18.117 105 HA ARG 14 HA ARG 14 43.173 22.924 17.470 106 HB2 ARG 14 HB2 ARG 14 40.485 21.792 18.277 107 HB3 ARG 14 HB3 ARG 14 41.987 20.872 18.206 108 HG2 ARG 14 HG2 ARG 14 41.677 23.376 19.879 109 HG3 ARG 14 HG3 ARG 14 41.363 21.760 20.508 110 HD2 ARG 14 HD2 ARG 14 43.668 21.093 19.902 111 HD3 ARG 14 HD3 ARG 14 43.998 22.721 19.342 112 HE ARG 14 HE ARG 14 43.672 21.866 22.118 113 HH11 ARG 14 HH11 ARG 14 44.053 24.572 19.900 114 HH12 ARG 14 HH12 ARG 14 44.744 25.591 21.114 115 HH21 ARG 14 HH21 ARG 14 44.582 23.241 23.629 116 HH22 ARG 14 HH22 ARG 14 45.034 24.854 23.187 117 H GLU 15 H GLU 15 40.095 23.215 15.784 118 HA GLU 15 HA GLU 15 40.448 21.153 13.914 119 HB2 GLU 15 HB2 GLU 15 38.366 22.514 14.201 120 HB3 GLU 15 HB3 GLU 15 39.181 23.851 13.388 121 HG2 GLU 15 HG2 GLU 15 39.569 22.376 11.420 122 HG3 GLU 15 HG3 GLU 15 38.663 21.101 12.225 123 H PHE 16 H PHE 16 41.545 24.537 13.843 124 HA PHE 16 HA PHE 16 42.654 24.428 11.236 125 HB2 PHE 16 HB2 PHE 16 42.067 26.508 12.460 126 HB3 PHE 16 HB3 PHE 16 43.423 26.226 13.534 127 HD1 PHE 16 HD1 PHE 16 42.459 26.957 10.024 128 HD2 PHE 16 HD2 PHE 16 45.648 26.820 12.898 129 HE1 PHE 16 HE1 PHE 16 43.938 28.163 8.441 130 HE2 PHE 16 HE2 PHE 16 47.126 28.025 11.315 131 HZ PHE 16 HZ PHE 16 46.273 28.698 9.086 132 H LEU 17 H LEU 17 44.257 24.313 14.437 133 HA LEU 17 HA LEU 17 46.862 23.976 13.485 134 HB2 LEU 17 HB2 LEU 17 46.196 24.509 15.838 135 HB3 LEU 17 HB3 LEU 17 45.731 22.822 16.043 136 HG LEU 17 HG LEU 17 48.474 23.417 14.986 137 HD11 LEU 17 HD11 LEU 17 47.865 23.412 17.948 138 HD12 LEU 17 HD12 LEU 17 48.028 24.901 17.017 139 HD13 LEU 17 HD13 LEU 17 49.393 23.794 17.156 140 HD21 LEU 17 HD21 LEU 17 47.087 21.259 16.553 141 HD22 LEU 17 HD22 LEU 17 48.842 21.408 16.648 142 HD23 LEU 17 HD23 LEU 17 48.065 21.118 15.093 143 H ALA 18 H ALA 18 44.409 21.529 14.267 144 HA ALA 18 HA ALA 18 46.051 19.273 13.941 145 HB1 ALA 18 HB1 ALA 18 43.726 18.196 13.336 146 HB2 ALA 18 HB2 ALA 18 43.095 19.761 13.846 147 HB3 ALA 18 HB3 ALA 18 44.029 18.776 14.973 148 H GLU 19 H GLU 19 44.049 21.065 11.608 149 HA GLU 19 HA GLU 19 44.308 19.285 9.460 150 HB2 GLU 19 HB2 GLU 19 42.734 21.232 9.558 151 HB3 GLU 19 HB3 GLU 19 44.111 22.300 9.281 152 HG2 GLU 19 HG2 GLU 19 44.604 21.066 7.176 153 HG3 GLU 19 HG3 GLU 19 43.167 20.089 7.437 154 H ARG 20 H ARG 20 46.378 21.972 10.502 155 HA ARG 20 HA ARG 20 48.109 21.942 8.284 156 HB2 ARG 20 HB2 ARG 20 48.658 22.731 11.149 157 HB3 ARG 20 HB3 ARG 20 49.761 23.034 9.804 158 HG2 ARG 20 HG2 ARG 20 47.905 24.259 8.640 159 HG3 ARG 20 HG3 ARG 20 46.932 24.080 10.100 160 HD2 ARG 20 HD2 ARG 20 49.596 25.508 9.891 161 HD3 ARG 20 HD3 ARG 20 48.022 26.268 10.092 162 HE ARG 20 HE ARG 20 48.230 24.542 12.219 163 HH11 ARG 20 HH11 ARG 20 50.211 27.187 11.028 164 HH12 ARG 20 HH12 ARG 20 50.787 27.599 12.609 165 HH21 ARG 20 HH21 ARG 20 49.006 25.127 14.230 166 HH22 ARG 20 HH22 ARG 20 50.115 26.446 14.395 167 H LEU 21 H LEU 21 48.474 20.266 11.437 168 HA LEU 21 HA LEU 21 50.941 19.064 10.785 169 HB2 LEU 21 HB2 LEU 21 48.799 18.304 12.765 170 HB3 LEU 21 HB3 LEU 21 50.289 17.377 12.591 171 HG LEU 21 HG LEU 21 50.239 20.362 13.115 172 HD11 LEU 21 HD11 LEU 21 49.265 19.403 15.062 173 HD12 LEU 21 HD12 LEU 21 50.975 19.573 15.457 174 HD13 LEU 21 HD13 LEU 21 50.328 18.000 14.996 175 HD21 LEU 21 HD21 LEU 21 52.366 19.859 12.283 176 HD22 LEU 21 HD22 LEU 21 52.347 18.223 12.940 177 HD23 LEU 21 HD23 LEU 21 52.613 19.599 14.010 178 H ARG 22 H ARG 22 47.607 17.982 10.234 179 HA ARG 22 HA ARG 22 48.274 15.382 9.335 180 HB2 ARG 22 HB2 ARG 22 45.884 17.125 8.728 181 HB3 ARG 22 HB3 ARG 22 46.026 15.439 8.226 182 HG2 ARG 22 HG2 ARG 22 46.391 14.812 10.625 183 HG3 ARG 22 HG3 ARG 22 46.066 16.486 11.072 184 HD2 ARG 22 HD2 ARG 22 44.157 14.615 9.645 185 HD3 ARG 22 HD3 ARG 22 44.034 15.144 11.318 186 HE ARG 22 HE ARG 22 44.109 17.350 9.483 187 HH11 ARG 22 HH11 ARG 22 41.959 14.956 10.885 188 HH12 ARG 22 HH12 ARG 22 40.551 15.934 10.640 189 HH21 ARG 22 HH21 ARG 22 42.262 18.563 9.194 190 HH22 ARG 22 HH22 ARG 22 40.721 17.950 9.695 191 H GLY 23 H GLY 23 47.919 18.455 7.590 192 HA2 GLY 23 HA2 GLY 23 48.132 17.462 4.981 193 HA3 GLY 23 HA3 GLY 23 48.597 19.082 5.484 194 H GLN 24 H GLN 24 50.629 18.116 7.382 195 HA GLN 24 HA GLN 24 52.762 17.677 5.458 196 HB2 GLN 24 HB2 GLN 24 52.808 18.155 8.437 197 HB3 GLN 24 HB3 GLN 24 54.250 17.985 7.433 198 HG2 GLN 24 HG2 GLN 24 53.557 19.894 6.065 199 HG3 GLN 24 HG3 GLN 24 52.073 20.049 7.001 200 HE21 GLN 24 HE21 GLN 24 54.015 22.172 6.799 201 HE22 GLN 24 HE22 GLN 24 54.681 22.416 8.340 202 H GLY 25 H GLY 25 50.778 15.458 6.728 203 HA2 GLY 25 HA2 GLY 25 51.070 13.148 6.475 204 HA3 GLY 25 HA3 GLY 25 52.808 13.392 6.430 205 H VAL 26 H VAL 26 51.208 14.949 9.070 206 HA VAL 26 HA VAL 26 52.262 12.896 10.897 207 HB VAL 26 HB VAL 26 51.322 15.713 11.501 208 HG11 VAL 26 HG11 VAL 26 52.367 15.374 13.663 209 HG12 VAL 26 HG12 VAL 26 52.961 13.787 13.173 210 HG13 VAL 26 HG13 VAL 26 51.231 14.054 13.387 211 HG21 VAL 26 HG21 VAL 26 53.805 16.116 11.793 212 HG22 VAL 26 HG22 VAL 26 53.300 15.846 10.125 213 HG23 VAL 26 HG23 VAL 26 54.081 14.550 11.030 214 H GLN 27 H GLN 27 50.964 11.799 12.304 215 HA GLN 27 HA GLN 27 48.100 11.842 11.811 216 HB2 GLN 27 HB2 GLN 27 49.750 10.238 13.780 217 HB3 GLN 27 HB3 GLN 27 48.044 9.976 13.422 218 HG2 GLN 27 HG2 GLN 27 48.665 9.583 11.026 219 HG3 GLN 27 HG3 GLN 27 50.363 9.686 11.494 220 HE21 GLN 27 HE21 GLN 27 51.311 7.850 12.530 221 HE22 GLN 27 HE22 GLN 27 50.452 6.419 12.836 222 H VAL 28 H VAL 28 46.651 12.955 13.004 223 HA VAL 28 HA VAL 28 47.646 14.283 15.467 224 HB VAL 28 HB VAL 28 45.590 15.315 13.498 225 HG11 VAL 28 HG11 VAL 28 45.731 17.374 14.777 226 HG12 VAL 28 HG12 VAL 28 46.995 16.698 15.802 227 HG13 VAL 28 HG13 VAL 28 45.355 16.055 15.885 228 HG21 VAL 28 HG21 VAL 28 47.283 16.857 12.741 229 HG22 VAL 28 HG22 VAL 28 47.973 15.237 12.637 230 HG23 VAL 28 HG23 VAL 28 48.418 16.302 13.972 231 H ASP 29 H ASP 29 46.630 13.796 17.277 232 HA ASP 29 HA ASP 29 43.726 13.259 17.174 233 HB2 ASP 29 HB2 ASP 29 44.977 11.116 17.464 234 HB3 ASP 29 HB3 ASP 29 45.690 11.774 18.937 235 H TYR 30 H TYR 30 42.581 14.432 18.652 236 HA TYR 30 HA TYR 30 44.152 15.979 20.635 237 HB2 TYR 30 HB2 TYR 30 42.484 17.703 20.472 238 HB3 TYR 30 HB3 TYR 30 43.106 17.330 18.879 239 HD1 TYR 30 HD1 TYR 30 40.188 17.568 20.977 240 HD2 TYR 30 HD2 TYR 30 41.704 15.870 17.334 241 HE1 TYR 30 HE1 TYR 30 37.866 17.204 20.182 242 HE2 TYR 30 HE2 TYR 30 39.383 15.507 16.538 243 HH TYR 30 HH TYR 30 36.996 16.768 17.258 244 H LEU 31 H LEU 31 43.633 15.864 22.735 245 HA LEU 31 HA LEU 31 41.420 14.061 23.504 246 HB2 LEU 31 HB2 LEU 31 43.702 13.193 23.917 247 HB3 LEU 31 HB3 LEU 31 44.024 14.592 24.936 248 HG LEU 31 HG LEU 31 41.776 13.765 26.146 249 HD11 LEU 31 HD11 LEU 31 42.833 11.374 24.661 250 HD12 LEU 31 HD12 LEU 31 41.162 11.891 24.888 251 HD13 LEU 31 HD13 LEU 31 42.051 11.170 26.231 252 HD21 LEU 31 HD21 LEU 31 44.274 12.183 26.701 253 HD22 LEU 31 HD22 LEU 31 43.135 12.895 27.844 254 HD23 LEU 31 HD23 LEU 31 44.258 13.928 26.960 255 HA PRO 32 HA PRO 32 40.029 17.987 25.535 256 HB2 PRO 32 HB2 PRO 32 38.062 16.081 26.713 257 HB3 PRO 32 HB3 PRO 32 37.793 17.674 25.977 258 HG2 PRO 32 HG2 PRO 32 37.175 15.438 24.687 259 HG3 PRO 32 HG3 PRO 32 37.834 16.849 23.839 260 HD2 PRO 32 HD2 PRO 32 39.185 14.281 24.535 261 HD3 PRO 32 HD3 PRO 32 39.440 15.349 23.140 262 H LEU 33 H LEU 33 40.656 18.789 27.461 263 HA LEU 33 HA LEU 33 42.287 17.322 29.206 264 HB2 LEU 33 HB2 LEU 33 40.838 19.926 29.732 265 HB3 LEU 33 HB3 LEU 33 42.212 19.307 30.646 266 HG LEU 33 HG LEU 33 42.269 19.881 27.674 267 HD11 LEU 33 HD11 LEU 33 42.377 22.057 28.288 268 HD12 LEU 33 HD12 LEU 33 43.999 21.702 28.875 269 HD13 LEU 33 HD13 LEU 33 42.630 21.678 29.986 270 HD21 LEU 33 HD21 LEU 33 44.763 19.758 28.138 271 HD22 LEU 33 HD22 LEU 33 43.899 18.227 28.228 272 HD23 LEU 33 HD23 LEU 33 44.353 19.075 29.709 273 H ASP 34 H ASP 34 38.894 17.208 29.071 274 HA ASP 34 HA ASP 34 38.403 17.002 31.893 275 HB2 ASP 34 HB2 ASP 34 36.698 16.288 29.506 276 HB3 ASP 34 HB3 ASP 34 36.138 16.279 31.176 277 H TYR 35 H TYR 35 39.840 14.777 29.772 278 HA TYR 35 HA TYR 35 38.540 12.403 30.687 279 HB2 TYR 35 HB2 TYR 35 40.931 13.036 29.047 280 HB3 TYR 35 HB3 TYR 35 40.870 11.444 29.780 281 HD1 TYR 35 HD1 TYR 35 38.588 10.146 29.461 282 HD2 TYR 35 HD2 TYR 35 39.933 13.379 26.973 283 HE1 TYR 35 HE1 TYR 35 37.090 9.370 27.645 284 HE2 TYR 35 HE2 TYR 35 38.433 12.601 25.156 285 HH TYR 35 HH TYR 35 36.572 11.224 24.798 286 HA PRO 36 HA PRO 36 40.495 12.037 34.585 287 HB2 PRO 36 HB2 PRO 36 40.411 9.373 35.094 288 HB3 PRO 36 HB3 PRO 36 38.954 10.386 35.051 289 HG2 PRO 36 HG2 PRO 36 40.042 8.556 32.971 290 HG3 PRO 36 HG3 PRO 36 38.362 8.822 33.478 291 HD2 PRO 36 HD2 PRO 36 39.437 9.959 31.227 292 HD3 PRO 36 HD3 PRO 36 38.106 10.686 32.151 293 H ALA 37 H ALA 37 42.372 11.528 35.716 294 HA ALA 37 HA ALA 37 44.773 11.432 34.333 295 HB1 ALA 37 HB1 ALA 37 44.023 10.809 37.174 296 HB2 ALA 37 HB2 ALA 37 44.919 12.188 36.540 297 HB3 ALA 37 HB3 ALA 37 45.684 10.601 36.620 298 H GLY 38 H GLY 38 46.387 9.817 34.129 299 HA2 GLY 38 HA2 GLY 38 47.161 7.585 34.087 300 HA3 GLY 38 HA3 GLY 38 45.516 7.030 34.373 301 H GLU 39 H GLU 39 44.262 8.610 32.269 302 HA GLU 39 HA GLU 39 44.591 6.747 30.156 303 HB2 GLU 39 HB2 GLU 39 43.199 9.428 30.206 304 HB3 GLU 39 HB3 GLU 39 43.110 8.288 28.863 305 HG2 GLU 39 HG2 GLU 39 42.258 6.554 30.449 306 HG3 GLU 39 HG3 GLU 39 42.241 7.769 31.719 307 H LEU 40 H LEU 40 45.929 9.965 30.716 308 HA LEU 40 HA LEU 40 46.884 10.484 28.123 309 HB2 LEU 40 HB2 LEU 40 46.831 12.143 29.976 310 HB3 LEU 40 HB3 LEU 40 48.150 11.275 30.759 311 HG LEU 40 HG LEU 40 49.478 11.608 28.606 312 HD11 LEU 40 HD11 LEU 40 47.682 12.123 27.076 313 HD12 LEU 40 HD12 LEU 40 48.676 13.571 27.234 314 HD13 LEU 40 HD13 LEU 40 47.138 13.461 28.088 315 HD21 LEU 40 HD21 LEU 40 48.713 14.264 29.787 316 HD22 LEU 40 HD22 LEU 40 50.315 13.649 29.374 317 HD23 LEU 40 HD23 LEU 40 49.482 13.047 30.807 318 H LEU 41 H LEU 41 48.400 8.822 30.877 319 HA LEU 41 HA LEU 41 50.915 8.419 29.649 320 HB2 LEU 41 HB2 LEU 41 50.445 8.210 32.101 321 HB3 LEU 41 HB3 LEU 41 49.622 6.688 31.767 322 HG LEU 41 HG LEU 41 51.805 5.979 30.581 323 HD11 LEU 41 HD11 LEU 41 53.824 7.145 31.513 324 HD12 LEU 41 HD12 LEU 41 52.749 8.374 32.182 325 HD13 LEU 41 HD13 LEU 41 52.863 8.158 30.435 326 HD21 LEU 41 HD21 LEU 41 51.367 4.847 32.577 327 HD22 LEU 41 HD22 LEU 41 51.394 6.326 33.537 328 HD23 LEU 41 HD23 LEU 41 52.904 5.631 32.945 329 H ALA 42 H ALA 42 48.017 6.359 29.826 330 HA ALA 42 HA ALA 42 49.176 4.073 28.661 331 HB1 ALA 42 HB1 ALA 42 46.282 4.935 28.463 332 HB2 ALA 42 HB2 ALA 42 46.983 4.129 29.866 333 HB3 ALA 42 HB3 ALA 42 46.912 3.295 28.314 334 H ARG 43 H ARG 43 47.413 6.784 27.187 335 HA ARG 43 HA ARG 43 47.389 5.786 24.551 336 HB2 ARG 43 HB2 ARG 43 46.036 7.722 25.355 337 HB3 ARG 43 HB3 ARG 43 47.513 8.685 25.415 338 HG2 ARG 43 HG2 ARG 43 47.867 8.223 22.987 339 HG3 ARG 43 HG3 ARG 43 46.317 7.382 22.953 340 HD2 ARG 43 HD2 ARG 43 46.718 10.282 23.735 341 HD3 ARG 43 HD3 ARG 43 46.087 9.720 22.189 342 HE ARG 43 HE ARG 43 44.674 9.819 24.713 343 HH11 ARG 43 HH11 ARG 43 44.749 8.325 21.537 344 HH12 ARG 43 HH12 ARG 43 43.066 7.919 21.579 345 HH21 ARG 43 HH21 ARG 43 42.512 9.270 24.709 346 HH22 ARG 43 HH22 ARG 43 41.817 8.448 23.353 347 H VAL 44 H VAL 44 49.776 7.777 26.274 348 HA VAL 44 HA VAL 44 51.399 8.354 24.053 349 HB VAL 44 HB VAL 44 52.156 8.081 26.975 350 HG11 VAL 44 HG11 VAL 44 53.600 9.576 24.764 351 HG12 VAL 44 HG12 VAL 44 54.113 8.012 25.398 352 HG13 VAL 44 HG13 VAL 44 54.106 9.429 26.447 353 HG21 VAL 44 HG21 VAL 44 51.748 10.671 25.506 354 HG22 VAL 44 HG22 VAL 44 51.585 10.325 27.226 355 HG23 VAL 44 HG23 VAL 44 50.343 9.790 26.097 356 H ARG 45 H ARG 45 51.506 5.663 26.370 357 HA ARG 45 HA ARG 45 53.888 4.509 25.352 358 HB2 ARG 45 HB2 ARG 45 52.946 4.069 27.612 359 HB3 ARG 45 HB3 ARG 45 51.648 3.145 26.858 360 HG2 ARG 45 HG2 ARG 45 53.337 1.635 25.841 361 HG3 ARG 45 HG3 ARG 45 54.613 2.534 26.665 362 HD2 ARG 45 HD2 ARG 45 53.525 1.999 28.846 363 HD3 ARG 45 HD3 ARG 45 52.351 1.010 27.984 364 HE ARG 45 HE ARG 45 55.162 0.380 28.453 365 HH11 ARG 45 HH11 ARG 45 52.222 -0.473 26.732 366 HH12 ARG 45 HH12 ARG 45 52.767 -2.083 26.400 367 HH21 ARG 45 HH21 ARG 45 55.807 -1.705 27.994 368 HH22 ARG 45 HH22 ARG 45 54.770 -2.770 27.105 369 H ALA 46 H ALA 46 50.458 3.629 24.820 370 HA ALA 46 HA ALA 46 51.062 1.377 23.210 371 HB1 ALA 46 HB1 ALA 46 48.593 1.725 22.487 372 HB2 ALA 46 HB2 ALA 46 48.583 2.994 23.711 373 HB3 ALA 46 HB3 ALA 46 48.935 1.329 24.171 374 H GLU 47 H GLU 47 50.112 4.713 22.367 375 HA GLU 47 HA GLU 47 50.269 4.169 19.540 376 HB2 GLU 47 HB2 GLU 47 50.008 6.763 21.067 377 HB3 GLU 47 HB3 GLU 47 49.890 6.609 19.313 378 HG2 GLU 47 HG2 GLU 47 48.019 4.998 19.610 379 HG3 GLU 47 HG3 GLU 47 48.105 5.249 21.348 380 H ARG 48 H ARG 48 52.676 4.813 21.871 381 HA ARG 48 HA ARG 48 54.875 5.455 21.732 382 HB2 ARG 48 HB2 ARG 48 54.813 3.506 20.138 383 HB3 ARG 48 HB3 ARG 48 54.606 4.659 18.825 384 HG2 ARG 48 HG2 ARG 48 56.935 4.253 18.881 385 HG3 ARG 48 HG3 ARG 48 56.751 5.788 19.723 386 HD2 ARG 48 HD2 ARG 48 56.762 4.573 21.893 387 HD3 ARG 48 HD3 ARG 48 57.019 3.064 21.024 388 HE ARG 48 HE ARG 48 58.961 5.201 21.444 389 HH11 ARG 48 HH11 ARG 48 58.212 2.228 19.733 390 HH12 ARG 48 HH12 ARG 48 59.873 1.911 19.355 391 HH21 ARG 48 HH21 ARG 48 61.080 4.739 20.928 392 HH22 ARG 48 HH22 ARG 48 61.475 3.316 20.024 393 H LEU 49 H LEU 49 53.492 7.621 21.858 394 HA LEU 49 HA LEU 49 53.346 9.268 19.551 395 HB2 LEU 49 HB2 LEU 49 53.358 10.049 22.476 396 HB3 LEU 49 HB3 LEU 49 52.936 11.122 21.145 397 HG LEU 49 HG LEU 49 51.497 8.531 21.793 398 HD11 LEU 49 HD11 LEU 49 50.606 11.401 22.208 399 HD12 LEU 49 HD12 LEU 49 51.223 10.368 23.495 400 HD13 LEU 49 HD13 LEU 49 49.722 9.946 22.668 401 HD21 LEU 49 HD21 LEU 49 51.117 8.920 19.508 402 HD22 LEU 49 HD22 LEU 49 51.202 10.672 19.695 403 HD23 LEU 49 HD23 LEU 49 49.775 9.793 20.250 404 H ASN 50 H ASN 50 54.581 10.927 18.839 405 HA ASN 50 HA ASN 50 57.409 10.838 19.580 406 HB2 ASN 50 HB2 ASN 50 55.951 12.221 17.319 407 HB3 ASN 50 HB3 ASN 50 57.694 12.265 17.563 408 HD21 ASN 50 HD21 ASN 50 58.890 10.554 16.688 409 HD22 ASN 50 HD22 ASN 50 58.201 9.149 16.039 410 H GLY 51 H GLY 51 54.653 13.079 19.479 411 HA2 GLY 51 HA2 GLY 51 56.160 14.914 21.213 412 HA3 GLY 51 HA3 GLY 51 55.628 15.544 19.664 413 H LEU 52 H LEU 52 54.941 16.629 22.102 414 HA LEU 52 HA LEU 52 52.008 16.223 22.133 415 HB2 LEU 52 HB2 LEU 52 53.740 17.025 24.489 416 HB3 LEU 52 HB3 LEU 52 51.994 16.787 24.507 417 HG LEU 52 HG LEU 52 54.017 14.632 23.831 418 HD11 LEU 52 HD11 LEU 52 52.380 15.087 26.345 419 HD12 LEU 52 HD12 LEU 52 54.123 15.312 26.205 420 HD13 LEU 52 HD13 LEU 52 53.426 13.701 26.038 421 HD21 LEU 52 HD21 LEU 52 51.991 13.160 24.157 422 HD22 LEU 52 HD22 LEU 52 51.888 14.219 22.752 423 HD23 LEU 52 HD23 LEU 52 51.010 14.624 24.227 424 H VAL 53 H VAL 53 50.760 18.128 22.175 425 HA VAL 53 HA VAL 53 52.286 20.653 21.830 426 HB VAL 53 HB VAL 53 49.717 19.853 20.434 427 HG11 VAL 53 HG11 VAL 53 49.978 22.290 20.830 428 HG12 VAL 53 HG12 VAL 53 50.091 21.891 19.116 429 HG13 VAL 53 HG13 VAL 53 51.553 22.237 20.039 430 HG21 VAL 53 HG21 VAL 53 51.940 18.685 19.729 431 HG22 VAL 53 HG22 VAL 53 52.395 20.275 19.119 432 HG23 VAL 53 HG23 VAL 53 50.972 19.460 18.478 433 H VAL 54 H VAL 54 51.761 22.254 23.200 434 HA VAL 54 HA VAL 54 48.987 22.351 24.235 435 HB VAL 54 HB VAL 54 49.919 23.540 26.249 436 HG11 VAL 54 HG11 VAL 54 50.857 21.275 27.195 437 HG12 VAL 54 HG12 VAL 54 50.325 20.639 25.636 438 HG13 VAL 54 HG13 VAL 54 49.166 21.416 26.716 439 HG21 VAL 54 HG21 VAL 54 52.204 23.438 26.786 440 HG22 VAL 54 HG22 VAL 54 52.213 23.853 25.071 441 HG23 VAL 54 HG23 VAL 54 52.531 22.194 25.579 442 H SER 55 H SER 55 48.082 24.389 24.490 443 HA SER 55 HA SER 55 49.390 26.505 22.897 444 HB2 SER 55 HB2 SER 55 47.147 25.583 22.170 445 HB3 SER 55 HB3 SER 55 46.469 26.319 23.618 446 HG SER 55 HG SER 55 47.148 27.461 21.328 447 H SER 56 H SER 56 48.550 25.750 26.157 448 HA SER 56 HA SER 56 49.024 28.510 26.958 449 HB2 SER 56 HB2 SER 56 46.930 28.819 28.101 450 HB3 SER 56 HB3 SER 56 46.578 28.384 26.432 451 HG SER 56 HG SER 56 45.604 26.730 27.237 452 H GLY 57 H GLY 57 49.225 28.780 29.266 453 HA2 GLY 57 HA2 GLY 57 50.695 26.802 30.576 454 HA3 GLY 57 HA3 GLY 57 49.906 28.159 31.375 455 H GLN 58 H GLN 58 47.211 27.476 30.640 456 HA GLN 58 HA GLN 58 46.486 25.845 32.794 457 HB2 GLN 58 HB2 GLN 58 44.971 27.439 31.616 458 HB3 GLN 58 HB3 GLN 58 44.891 26.308 30.264 459 HG2 GLN 58 HG2 GLN 58 43.973 24.577 31.740 460 HG3 GLN 58 HG3 GLN 58 44.094 25.666 33.118 461 HE21 GLN 58 HE21 GLN 58 41.579 24.688 32.614 462 HE22 GLN 58 HE22 GLN 58 40.594 25.879 31.914 463 H GLY 59 H GLY 59 46.771 25.026 29.331 464 HA2 GLY 59 HA2 GLY 59 45.990 22.339 29.518 465 HA3 GLY 59 HA3 GLY 59 47.041 23.006 28.272 466 H LEU 60 H LEU 60 49.202 23.846 29.777 467 HA LEU 60 HA LEU 60 50.735 21.514 29.934 468 HB2 LEU 60 HB2 LEU 60 51.609 23.845 29.677 469 HB3 LEU 60 HB3 LEU 60 51.265 24.116 31.386 470 HG LEU 60 HG LEU 60 52.691 22.043 31.855 471 HD11 LEU 60 HD11 LEU 60 53.329 22.540 28.942 472 HD12 LEU 60 HD12 LEU 60 52.788 21.037 29.687 473 HD13 LEU 60 HD13 LEU 60 54.411 21.647 30.012 474 HD21 LEU 60 HD21 LEU 60 54.599 23.366 32.080 475 HD22 LEU 60 HD22 LEU 60 53.347 24.597 31.931 476 HD23 LEU 60 HD23 LEU 60 54.343 24.179 30.536 477 H GLN 61 H GLN 61 49.173 23.382 32.518 478 HA GLN 61 HA GLN 61 50.153 21.862 34.686 479 HB2 GLN 61 HB2 GLN 61 47.577 23.433 34.432 480 HB3 GLN 61 HB3 GLN 61 48.230 22.811 35.946 481 HG2 GLN 61 HG2 GLN 61 49.626 24.771 34.101 482 HG3 GLN 61 HG3 GLN 61 48.841 25.181 35.624 483 HE21 GLN 61 HE21 GLN 61 51.855 24.848 34.459 484 HE22 GLN 61 HE22 GLN 61 52.642 24.178 35.804 485 H ASN 62 H ASN 62 47.180 21.558 32.767 486 HA ASN 62 HA ASN 62 46.050 19.384 34.126 487 HB2 ASN 62 HB2 ASN 62 45.909 20.100 31.191 488 HB3 ASN 62 HB3 ASN 62 44.856 18.937 31.999 489 HD21 ASN 62 HD21 ASN 62 44.644 21.942 30.865 490 HD22 ASN 62 HD22 ASN 62 43.678 22.673 32.051 491 H LEU 63 H LEU 63 48.506 19.484 31.583 492 HA LEU 63 HA LEU 63 48.654 16.762 30.957 493 HB2 LEU 63 HB2 LEU 63 49.888 18.635 29.799 494 HB3 LEU 63 HB3 LEU 63 51.005 18.657 31.158 495 HG LEU 63 HG LEU 63 51.240 16.099 30.695 496 HD11 LEU 63 HD11 LEU 63 50.843 15.434 28.405 497 HD12 LEU 63 HD12 LEU 63 50.369 17.073 27.961 498 HD13 LEU 63 HD13 LEU 63 49.343 16.119 29.032 499 HD21 LEU 63 HD21 LEU 63 52.997 17.848 30.356 500 HD22 LEU 63 HD22 LEU 63 52.375 18.109 28.727 501 HD23 LEU 63 HD23 LEU 63 53.083 16.553 29.162 502 H TYR 64 H TYR 64 50.290 18.636 33.472 503 HA TYR 64 HA TYR 64 51.910 16.583 34.499 504 HB2 TYR 64 HB2 TYR 64 51.949 19.101 34.976 505 HB3 TYR 64 HB3 TYR 64 50.682 18.784 36.145 506 HD1 TYR 64 HD1 TYR 64 51.167 17.682 38.254 507 HD2 TYR 64 HD2 TYR 64 54.226 18.221 35.281 508 HE1 TYR 64 HE1 TYR 64 52.903 17.097 39.927 509 HE2 TYR 64 HE2 TYR 64 55.945 17.644 36.942 510 HH TYR 64 HH TYR 64 55.171 17.166 40.295 511 H GLN 65 H GLN 65 48.653 17.652 35.442 512 HA GLN 65 HA GLN 65 48.375 15.919 37.653 513 HB2 GLN 65 HB2 GLN 65 46.278 17.170 35.867 514 HB3 GLN 65 HB3 GLN 65 45.931 16.348 37.390 515 HG2 GLN 65 HG2 GLN 65 47.333 17.936 38.607 516 HG3 GLN 65 HG3 GLN 65 47.783 18.729 37.100 517 HE21 GLN 65 HE21 GLN 65 46.499 20.163 39.220 518 HE22 GLN 65 HE22 GLN 65 44.950 20.617 38.695 519 H LEU 66 H LEU 66 47.397 15.527 34.256 520 HA LEU 66 HA LEU 66 46.195 12.983 34.619 521 HB2 LEU 66 HB2 LEU 66 47.341 14.276 32.134 522 HB3 LEU 66 HB3 LEU 66 46.399 12.786 32.138 523 HG LEU 66 HG LEU 66 45.398 15.435 33.228 524 HD11 LEU 66 HD11 LEU 66 43.860 15.133 31.116 525 HD12 LEU 66 HD12 LEU 66 45.183 14.123 30.528 526 HD13 LEU 66 HD13 LEU 66 45.475 15.818 30.917 527 HD21 LEU 66 HD21 LEU 66 44.224 13.644 34.281 528 HD22 LEU 66 HD22 LEU 66 44.158 12.711 32.786 529 HD23 LEU 66 HD23 LEU 66 43.179 14.167 32.960 530 H ALA 67 H ALA 67 49.501 13.972 33.880 531 HA ALA 67 HA ALA 67 50.569 11.470 33.203 532 HB1 ALA 67 HB1 ALA 67 51.851 13.490 32.862 533 HB2 ALA 67 HB2 ALA 67 52.735 12.462 33.990 534 HB3 ALA 67 HB3 ALA 67 51.825 13.849 34.588 535 H ALA 68 H ALA 68 50.092 13.015 36.366 536 HA ALA 68 HA ALA 68 49.963 12.111 38.468 537 HB1 ALA 68 HB1 ALA 68 48.503 10.491 36.852 538 HB2 ALA 68 HB2 ALA 68 48.676 10.222 38.587 539 HB3 ALA 68 HB3 ALA 68 49.689 9.331 37.453 540 H ALA 69 H ALA 69 50.995 9.148 38.886 541 HA ALA 69 HA ALA 69 53.495 9.939 39.897 542 HB1 ALA 69 HB1 ALA 69 52.081 7.980 40.640 543 HB2 ALA 69 HB2 ALA 69 53.806 7.650 40.475 544 HB3 ALA 69 HB3 ALA 69 52.682 7.112 39.227 545 H ASP 70 H ASP 70 52.637 9.073 36.654 546 HA ASP 70 HA ASP 70 55.309 8.033 36.051 547 HB2 ASP 70 HB2 ASP 70 52.834 8.279 34.338 548 HB3 ASP 70 HB3 ASP 70 54.347 7.526 33.838 549 H TRP 71 H TRP 71 54.358 11.095 36.419 550 HA TRP 71 HA TRP 71 54.831 12.486 34.113 551 HB2 TRP 71 HB2 TRP 71 54.184 13.651 36.060 552 HB3 TRP 71 HB3 TRP 71 55.591 13.126 36.949 553 HD1 TRP 71 HD1 TRP 71 57.370 14.884 37.201 554 HE1 TRP 71 HE1 TRP 71 58.052 17.027 35.941 555 HE3 TRP 71 HE3 TRP 71 54.112 14.700 33.269 556 HZ2 TRP 71 HZ2 TRP 71 57.347 18.457 33.580 557 HZ3 TRP 71 HZ3 TRP 71 54.146 16.460 31.529 558 HH2 TRP 71 HH2 TRP 71 55.762 18.339 31.677 559 HA PRO 72 HA PRO 72 59.738 12.242 34.996 560 HB2 PRO 72 HB2 PRO 72 59.558 9.315 35.616 561 HB3 PRO 72 HB3 PRO 72 60.768 10.505 36.136 562 HG2 PRO 72 HG2 PRO 72 58.836 9.685 37.769 563 HG3 PRO 72 HG3 PRO 72 59.430 11.354 37.787 564 HD2 PRO 72 HD2 PRO 72 56.839 10.311 36.812 565 HD3 PRO 72 HD3 PRO 72 57.265 11.944 37.362 566 H GLU 73 H GLU 73 57.714 9.548 33.766 567 HA GLU 73 HA GLU 73 59.564 8.973 31.619 568 HB2 GLU 73 HB2 GLU 73 56.740 8.023 32.147 569 HB3 GLU 73 HB3 GLU 73 57.780 7.418 30.857 570 HG2 GLU 73 HG2 GLU 73 59.466 6.759 32.563 571 HG3 GLU 73 HG3 GLU 73 58.364 7.287 33.827 572 H ILE 74 H ILE 74 56.336 10.438 31.885 573 HA ILE 74 HA ILE 74 55.921 10.896 29.147 574 HB ILE 74 HB ILE 74 54.861 12.398 31.556 575 HG12 ILE 74 HG12 ILE 74 53.590 10.208 29.891 576 HG13 ILE 74 HG13 ILE 74 54.466 9.896 31.386 577 HG21 ILE 74 HG21 ILE 74 54.617 13.639 29.371 578 HG22 ILE 74 HG22 ILE 74 53.084 13.188 30.114 579 HG23 ILE 74 HG23 ILE 74 53.710 12.258 28.751 580 HD11 ILE 74 HD11 ILE 74 51.817 10.297 31.349 581 HD12 ILE 74 HD12 ILE 74 52.327 11.977 31.485 582 HD13 ILE 74 HD13 ILE 74 52.820 10.804 32.705 583 H GLY 75 H GLY 75 57.562 12.838 31.580 584 HA2 GLY 75 HA2 GLY 75 57.721 15.274 30.194 585 HA3 GLY 75 HA3 GLY 75 58.801 14.758 31.480 586 H ARG 76 H ARG 76 59.384 12.326 29.578 587 HA ARG 76 HA ARG 76 61.833 13.340 28.571 588 HB2 ARG 76 HB2 ARG 76 60.355 10.768 27.989 589 HB3 ARG 76 HB3 ARG 76 62.027 11.098 27.527 590 HG2 ARG 76 HG2 ARG 76 62.561 11.533 29.923 591 HG3 ARG 76 HG3 ARG 76 60.921 11.056 30.349 592 HD2 ARG 76 HD2 ARG 76 63.005 9.318 29.004 593 HD3 ARG 76 HD3 ARG 76 62.453 9.187 30.671 594 HE ARG 76 HE ARG 76 60.317 8.977 28.740 595 HH11 ARG 76 HH11 ARG 76 62.784 7.150 30.445 596 HH12 ARG 76 HH12 ARG 76 61.939 5.650 30.261 597 HH21 ARG 76 HH21 ARG 76 59.277 7.017 28.535 598 HH22 ARG 76 HH22 ARG 76 59.979 5.576 29.194 599 H LEU 77 H LEU 77 58.635 13.100 27.165 600 HA LEU 77 HA LEU 77 59.543 12.965 24.454 601 HB2 LEU 77 HB2 LEU 77 56.830 13.541 25.650 602 HB3 LEU 77 HB3 LEU 77 57.127 13.374 23.918 603 HG LEU 77 HG LEU 77 58.049 11.232 25.816 604 HD11 LEU 77 HD11 LEU 77 55.576 11.771 26.170 605 HD12 LEU 77 HD12 LEU 77 55.940 10.114 25.686 606 HD13 LEU 77 HD13 LEU 77 55.325 11.265 24.499 607 HD21 LEU 77 HD21 LEU 77 57.150 11.270 22.916 608 HD22 LEU 77 HD22 LEU 77 57.715 9.842 23.786 609 HD23 LEU 77 HD23 LEU 77 58.819 11.182 23.480 610 HA PRO 78 HA PRO 78 60.086 17.342 23.671 611 HB2 PRO 78 HB2 PRO 78 59.158 17.527 21.065 612 HB3 PRO 78 HB3 PRO 78 60.777 16.964 21.518 613 HG2 PRO 78 HG2 PRO 78 58.361 15.391 20.800 614 HG3 PRO 78 HG3 PRO 78 60.062 15.113 20.376 615 HD2 PRO 78 HD2 PRO 78 58.850 13.690 22.329 616 HD3 PRO 78 HD3 PRO 78 60.565 14.141 22.424 617 H LEU 79 H LEU 79 58.808 18.927 24.457 618 HA LEU 79 HA LEU 79 55.918 18.877 23.831 619 HB2 LEU 79 HB2 LEU 79 56.614 18.948 26.231 620 HB3 LEU 79 HB3 LEU 79 57.371 20.511 25.922 621 HG LEU 79 HG LEU 79 55.113 21.296 25.042 622 HD11 LEU 79 HD11 LEU 79 53.188 19.925 26.050 623 HD12 LEU 79 HD12 LEU 79 54.361 18.619 26.223 624 HD13 LEU 79 HD13 LEU 79 53.974 19.251 24.623 625 HD21 LEU 79 HD21 LEU 79 54.330 21.856 27.228 626 HD22 LEU 79 HD22 LEU 79 56.083 21.723 27.369 627 HD23 LEU 79 HD23 LEU 79 55.052 20.409 27.934 628 H PHE 80 H PHE 80 55.135 20.280 22.397 629 HA PHE 80 HA PHE 80 56.749 22.519 21.435 630 HB2 PHE 80 HB2 PHE 80 53.986 21.544 20.679 631 HB3 PHE 80 HB3 PHE 80 54.801 22.889 19.921 632 HD1 PHE 80 HD1 PHE 80 54.065 19.463 19.701 633 HD2 PHE 80 HD2 PHE 80 57.205 22.284 18.898 634 HE1 PHE 80 HE1 PHE 80 55.023 17.914 18.024 635 HE2 PHE 80 HE2 PHE 80 58.167 20.728 17.220 636 HZ PHE 80 HZ PHE 80 57.065 18.550 16.773 637 H VAL 81 H VAL 81 56.530 24.536 22.285 638 HA VAL 81 HA VAL 81 53.973 25.232 23.611 639 HB VAL 81 HB VAL 81 55.228 26.788 25.011 640 HG11 VAL 81 HG11 VAL 81 56.562 24.071 25.044 641 HG12 VAL 81 HG12 VAL 81 54.926 24.361 25.636 642 HG13 VAL 81 HG13 VAL 81 56.297 25.151 26.414 643 HG21 VAL 81 HG21 VAL 81 57.865 26.291 24.878 644 HG22 VAL 81 HG22 VAL 81 57.107 27.551 23.908 645 HG23 VAL 81 HG23 VAL 81 57.461 25.983 23.191 646 HA PRO 82 HA PRO 82 53.669 28.245 20.414 647 HB2 PRO 82 HB2 PRO 82 51.807 29.943 21.385 648 HB3 PRO 82 HB3 PRO 82 51.417 28.272 20.929 649 HG2 PRO 82 HG2 PRO 82 51.809 29.454 23.619 650 HG3 PRO 82 HG3 PRO 82 50.692 28.184 23.089 651 HD2 PRO 82 HD2 PRO 82 53.112 27.737 24.403 652 HD3 PRO 82 HD3 PRO 82 52.213 26.525 23.468 653 H SER 83 H SER 83 54.684 29.310 23.580 654 HA SER 83 HA SER 83 55.843 31.742 22.421 655 HB2 SER 83 HB2 SER 83 54.775 33.234 23.916 656 HB3 SER 83 HB3 SER 83 53.486 32.187 23.337 657 HG SER 83 HG SER 83 54.885 31.975 25.743 658 HA PRO 84 HA PRO 84 59.236 30.966 25.186 659 HB2 PRO 84 HB2 PRO 84 59.543 33.514 26.357 660 HB3 PRO 84 HB3 PRO 84 60.336 32.930 24.885 661 HG2 PRO 84 HG2 PRO 84 57.937 34.637 25.186 662 HG3 PRO 84 HG3 PRO 84 59.203 34.664 23.943 663 HD2 PRO 84 HD2 PRO 84 56.769 33.642 23.419 664 HD3 PRO 84 HD3 PRO 84 58.240 32.926 22.722 665 H ARG 85 H ARG 85 56.623 32.975 26.567 666 HA ARG 85 HA ARG 85 57.161 32.495 29.275 667 HB2 ARG 85 HB2 ARG 85 54.520 33.006 27.888 668 HB3 ARG 85 HB3 ARG 85 54.763 33.071 29.634 669 HG2 ARG 85 HG2 ARG 85 56.526 34.806 29.283 670 HG3 ARG 85 HG3 ARG 85 56.144 34.800 27.562 671 HD2 ARG 85 HD2 ARG 85 54.234 35.496 29.810 672 HD3 ARG 85 HD3 ARG 85 54.958 36.630 28.674 673 HE ARG 85 HE ARG 85 53.564 34.587 27.272 674 HH11 ARG 85 HH11 ARG 85 52.951 37.471 29.177 675 HH12 ARG 85 HH12 ARG 85 51.435 37.781 28.402 676 HH21 ARG 85 HH21 ARG 85 51.604 35.038 26.310 677 HH22 ARG 85 HH22 ARG 85 50.682 36.420 26.799 678 H VAL 86 H VAL 86 54.968 30.742 27.064 679 HA VAL 86 HA VAL 86 54.101 28.803 28.902 680 HB VAL 86 HB VAL 86 54.489 28.534 25.908 681 HG11 VAL 86 HG11 VAL 86 52.980 26.904 27.957 682 HG12 VAL 86 HG12 VAL 86 54.139 26.341 26.753 683 HG13 VAL 86 HG13 VAL 86 52.539 26.886 26.249 684 HG21 VAL 86 HG21 VAL 86 52.216 29.289 25.710 685 HG22 VAL 86 HG22 VAL 86 53.047 30.454 26.739 686 HG23 VAL 86 HG23 VAL 86 51.986 29.244 27.457 687 H ALA 87 H ALA 87 56.943 28.897 26.782 688 HA ALA 87 HA ALA 87 57.883 26.294 27.184 689 HB1 ALA 87 HB1 ALA 87 58.728 28.279 25.655 690 HB2 ALA 87 HB2 ALA 87 59.840 27.016 26.183 691 HB3 ALA 87 HB3 ALA 87 59.815 28.573 27.013 692 H GLU 88 H GLU 88 58.416 29.247 29.072 693 HA GLU 88 HA GLU 88 60.291 28.206 30.890 694 HB2 GLU 88 HB2 GLU 88 58.214 30.373 31.280 695 HB3 GLU 88 HB3 GLU 88 59.546 30.050 32.390 696 HG2 GLU 88 HG2 GLU 88 61.152 30.426 30.528 697 HG3 GLU 88 HG3 GLU 88 59.805 30.832 29.474 698 H MET 89 H MET 89 56.742 28.247 30.974 699 HA MET 89 HA MET 89 56.371 27.162 33.535 700 HB2 MET 89 HB2 MET 89 54.720 26.745 31.026 701 HB3 MET 89 HB3 MET 89 54.180 26.382 32.662 702 HG2 MET 89 HG2 MET 89 55.001 29.120 31.649 703 HG3 MET 89 HG3 MET 89 53.344 28.581 31.904 704 HE1 MET 89 HE1 MET 89 52.451 27.697 33.897 705 HE2 MET 89 HE2 MET 89 52.815 28.226 35.538 706 HE3 MET 89 HE3 MET 89 53.702 26.875 34.839 707 H ALA 90 H ALA 90 56.816 25.568 30.406 708 HA ALA 90 HA ALA 90 56.489 22.915 31.282 709 HB1 ALA 90 HB1 ALA 90 58.446 23.548 29.113 710 HB2 ALA 90 HB2 ALA 90 56.750 23.958 28.869 711 HB3 ALA 90 HB3 ALA 90 57.216 22.287 29.181 712 H ARG 91 H ARG 91 59.369 24.972 31.122 713 HA ARG 91 HA ARG 91 61.255 23.008 31.835 714 HB2 ARG 91 HB2 ARG 91 61.289 25.997 32.304 715 HB3 ARG 91 HB3 ARG 91 62.679 24.934 32.522 716 HG2 ARG 91 HG2 ARG 91 62.470 24.222 30.145 717 HG3 ARG 91 HG3 ARG 91 61.155 25.379 29.939 718 HD2 ARG 91 HD2 ARG 91 62.738 27.189 30.701 719 HD3 ARG 91 HD3 ARG 91 64.033 25.996 30.652 720 HE ARG 91 HE ARG 91 62.615 26.056 28.179 721 HH11 ARG 91 HH11 ARG 91 65.005 27.869 30.005 722 HH12 ARG 91 HH12 ARG 91 65.717 28.555 28.583 723 HH21 ARG 91 HH21 ARG 91 63.574 26.970 26.385 724 HH22 ARG 91 HH22 ARG 91 64.916 28.051 26.560 725 H GLU 92 H GLU 92 59.311 25.207 33.840 726 HA GLU 92 HA GLU 92 60.579 24.662 36.287 727 HB2 GLU 92 HB2 GLU 92 57.725 25.483 35.718 728 HB3 GLU 92 HB3 GLU 92 58.459 25.474 37.322 729 HG2 GLU 92 HG2 GLU 92 59.484 27.048 34.944 730 HG3 GLU 92 HG3 GLU 92 58.553 27.721 36.276 731 H LEU 93 H LEU 93 57.918 22.994 34.642 732 HA LEU 93 HA LEU 93 57.360 21.193 36.769 733 HB2 LEU 93 HB2 LEU 93 56.934 20.754 33.808 734 HB3 LEU 93 HB3 LEU 93 56.213 19.814 35.107 735 HG LEU 93 HG LEU 93 55.754 22.769 34.584 736 HD11 LEU 93 HD11 LEU 93 54.108 20.261 34.187 737 HD12 LEU 93 HD12 LEU 93 54.575 21.447 32.966 738 HD13 LEU 93 HD13 LEU 93 53.391 21.874 34.203 739 HD21 LEU 93 HD21 LEU 93 54.777 20.886 36.750 740 HD22 LEU 93 HD22 LEU 93 53.912 22.367 36.335 741 HD23 LEU 93 HD23 LEU 93 55.564 22.454 36.951 742 H GLY 94 H GLY 94 59.997 21.254 34.516 743 HA2 GLY 94 HA2 GLY 94 61.889 19.821 34.926 744 HA3 GLY 94 HA3 GLY 94 60.782 18.555 35.425 745 H ALA 95 H ALA 95 59.784 20.235 32.542 746 HA ALA 95 HA ALA 95 59.790 17.886 31.001 747 HB1 ALA 95 HB1 ALA 95 59.946 20.689 29.883 748 HB2 ALA 95 HB2 ALA 95 58.467 20.014 30.565 749 HB3 ALA 95 HB3 ALA 95 59.203 19.270 29.145 750 H GLN 96 H GLN 96 61.356 16.838 29.981 751 HA GLN 96 HA GLN 96 64.057 17.645 30.459 752 HB2 GLN 96 HB2 GLN 96 62.926 15.322 28.884 753 HB3 GLN 96 HB3 GLN 96 64.624 15.517 29.332 754 HG2 GLN 96 HG2 GLN 96 63.976 15.589 31.721 755 HG3 GLN 96 HG3 GLN 96 62.293 15.348 31.265 756 HE21 GLN 96 HE21 GLN 96 62.382 13.318 32.577 757 HE22 GLN 96 HE22 GLN 96 63.080 11.926 31.913 758 H ARG 97 H ARG 97 61.945 17.596 27.629 759 HA ARG 97 HA ARG 97 63.982 19.189 26.192 760 HB2 ARG 97 HB2 ARG 97 63.928 16.854 25.323 761 HB3 ARG 97 HB3 ARG 97 62.220 17.069 24.941 762 HG2 ARG 97 HG2 ARG 97 62.798 18.979 23.473 763 HG3 ARG 97 HG3 ARG 97 64.507 18.717 23.824 764 HD2 ARG 97 HD2 ARG 97 64.298 16.402 22.921 765 HD3 ARG 97 HD3 ARG 97 62.630 16.753 22.482 766 HE ARG 97 HE ARG 97 64.004 18.753 21.269 767 HH11 ARG 97 HH11 ARG 97 64.435 15.270 21.231 768 HH12 ARG 97 HH12 ARG 97 65.108 15.270 19.635 769 HH21 ARG 97 HH21 ARG 97 64.875 18.692 19.218 770 HH22 ARG 97 HH22 ARG 97 65.353 17.185 18.510 771 H VAL 98 H VAL 98 63.153 21.161 26.001 772 HA VAL 98 HA VAL 98 60.251 21.452 25.468 773 HB VAL 98 HB VAL 98 62.166 23.460 26.687 774 HG11 VAL 98 HG11 VAL 98 60.258 24.435 25.415 775 HG12 VAL 98 HG12 VAL 98 60.139 24.753 27.147 776 HG13 VAL 98 HG13 VAL 98 59.145 23.495 26.410 777 HG21 VAL 98 HG21 VAL 98 61.611 21.431 28.113 778 HG22 VAL 98 HG22 VAL 98 59.920 21.919 28.024 779 HG23 VAL 98 HG23 VAL 98 61.101 22.973 28.800 780 H ILE 99 H ILE 99 59.628 22.370 23.617 781 HA ILE 99 HA ILE 99 61.713 23.473 21.829 782 HB ILE 99 HB ILE 99 59.256 21.827 21.158 783 HG12 ILE 99 HG12 ILE 99 62.176 21.135 20.770 784 HG13 ILE 99 HG13 ILE 99 61.263 20.652 22.198 785 HG21 ILE 99 HG21 ILE 99 61.200 23.366 19.480 786 HG22 ILE 99 HG22 ILE 99 59.465 23.127 19.262 787 HG23 ILE 99 HG23 ILE 99 60.590 21.832 18.858 788 HD11 ILE 99 HD11 ILE 99 61.202 18.826 20.603 789 HD12 ILE 99 HD12 ILE 99 60.655 19.910 19.325 790 HD13 ILE 99 HD13 ILE 99 59.594 19.546 20.686 791 H ASP 100 H ASP 100 61.414 25.563 21.364 792 HA ASP 100 HA ASP 100 58.768 26.770 21.741 793 HB2 ASP 100 HB2 ASP 100 60.781 27.868 22.711 794 HB3 ASP 100 HB3 ASP 100 61.408 28.092 21.079 795 H CYS 101 H CYS 101 57.427 26.881 20.044 796 HA CYS 101 HA CYS 101 58.550 26.728 17.335 797 HB2 CYS 101 HB2 CYS 101 56.288 26.181 16.620 798 HB3 CYS 101 HB3 CYS 101 56.783 25.132 17.949 799 HG CYS 101 HG CYS 101 54.326 26.239 18.307 800 H ARG 102 H ARG 102 57.939 29.258 19.303 801 HA ARG 102 HA ARG 102 56.177 30.943 17.948 802 HB2 ARG 102 HB2 ARG 102 57.187 31.407 20.179 803 HB3 ARG 102 HB3 ARG 102 58.713 31.774 19.375 804 HG2 ARG 102 HG2 ARG 102 57.653 33.583 18.115 805 HG3 ARG 102 HG3 ARG 102 56.088 33.193 18.831 806 HD2 ARG 102 HD2 ARG 102 57.001 35.048 20.067 807 HD3 ARG 102 HD3 ARG 102 57.106 33.622 21.095 808 HE ARG 102 HE ARG 102 59.429 33.692 20.907 809 HH11 ARG 102 HH11 ARG 102 58.023 36.001 18.667 810 HH12 ARG 102 HH12 ARG 102 59.548 36.746 18.323 811 HH21 ARG 102 HH21 ARG 102 61.363 34.690 20.423 812 HH22 ARG 102 HH22 ARG 102 61.415 36.012 19.305 813 H GLY 103 H GLY 103 59.615 30.315 17.368 814 HA2 GLY 103 HA2 GLY 103 59.588 32.162 15.082 815 HA3 GLY 103 HA3 GLY 103 61.017 31.431 15.804 816 H ALA 104 H ALA 104 59.937 28.729 15.854 817 HA ALA 104 HA ALA 104 60.745 27.907 13.247 818 HB1 ALA 104 HB1 ALA 104 59.263 26.157 15.198 819 HB2 ALA 104 HB2 ALA 104 60.941 26.626 15.480 820 HB3 ALA 104 HB3 ALA 104 60.512 25.704 14.038 821 H SER 105 H SER 105 59.579 27.268 11.509 822 HA SER 105 HA SER 105 56.730 27.904 11.494 823 HB2 SER 105 HB2 SER 105 56.886 27.755 9.100 824 HB3 SER 105 HB3 SER 105 58.297 28.644 9.664 825 HG SER 105 HG SER 105 59.489 26.878 9.289 826 H ALA 106 H ALA 106 55.268 26.361 10.277 827 HA ALA 106 HA ALA 106 54.972 23.973 11.588 828 HB1 ALA 106 HB1 ALA 106 54.124 24.241 8.718 829 HB2 ALA 106 HB2 ALA 106 53.352 25.169 10.001 830 HB3 ALA 106 HB3 ALA 106 53.316 23.407 10.042 831 HA PRO 107 HA PRO 107 57.150 21.444 8.084 832 HB2 PRO 107 HB2 PRO 107 59.235 22.832 6.830 833 HB3 PRO 107 HB3 PRO 107 57.662 22.450 6.108 834 HG2 PRO 107 HG2 PRO 107 58.618 24.971 7.326 835 HG3 PRO 107 HG3 PRO 107 57.520 24.713 5.957 836 HD2 PRO 107 HD2 PRO 107 56.614 25.467 8.368 837 HD3 PRO 107 HD3 PRO 107 55.668 24.400 7.314 838 H ALA 108 H ALA 108 58.907 24.032 9.743 839 HA ALA 108 HA ALA 108 61.278 22.616 10.306 840 HB1 ALA 108 HB1 ALA 108 60.691 25.132 10.662 841 HB2 ALA 108 HB2 ALA 108 61.790 24.345 11.795 842 HB3 ALA 108 HB3 ALA 108 60.102 24.597 12.237 843 H LEU 109 H LEU 109 58.228 22.897 12.100 844 HA LEU 109 HA LEU 109 58.963 21.427 14.372 845 HB2 LEU 109 HB2 LEU 109 56.239 21.558 13.056 846 HB3 LEU 109 HB3 LEU 109 56.566 21.089 14.724 847 HG LEU 109 HG LEU 109 57.234 23.795 13.529 848 HD11 LEU 109 HD11 LEU 109 55.040 23.005 15.468 849 HD12 LEU 109 HD12 LEU 109 54.788 23.378 13.763 850 HD13 LEU 109 HD13 LEU 109 55.363 24.630 14.864 851 HD21 LEU 109 HD21 LEU 109 57.430 22.640 16.324 852 HD22 LEU 109 HD22 LEU 109 57.518 24.369 15.986 853 HD23 LEU 109 HD23 LEU 109 58.744 23.280 15.337 854 H LEU 110 H LEU 110 57.659 20.364 11.250 855 HA LEU 110 HA LEU 110 57.280 17.649 11.844 856 HB2 LEU 110 HB2 LEU 110 56.532 18.757 9.748 857 HB3 LEU 110 HB3 LEU 110 58.211 18.843 9.219 858 HG LEU 110 HG LEU 110 58.312 16.317 9.494 859 HD11 LEU 110 HD11 LEU 110 56.454 15.894 10.930 860 HD12 LEU 110 HD12 LEU 110 56.000 15.236 9.358 861 HD13 LEU 110 HD13 LEU 110 55.352 16.789 9.884 862 HD21 LEU 110 HD21 LEU 110 57.278 15.903 7.344 863 HD22 LEU 110 HD22 LEU 110 57.975 17.522 7.305 864 HD23 LEU 110 HD23 LEU 110 56.238 17.316 7.521 865 H ALA 111 H ALA 111 60.146 19.361 10.659 866 HA ALA 111 HA ALA 111 61.836 17.126 10.397 867 HB1 ALA 111 HB1 ALA 111 62.614 19.112 9.404 868 HB2 ALA 111 HB2 ALA 111 63.679 18.891 10.792 869 HB3 ALA 111 HB3 ALA 111 62.356 20.053 10.874 870 H ALA 112 H ALA 112 61.172 19.230 13.167 871 HA ALA 112 HA ALA 112 63.132 18.212 14.903 872 HB1 ALA 112 HB1 ALA 112 60.407 19.211 15.745 873 HB2 ALA 112 HB2 ALA 112 61.717 20.283 15.251 874 HB3 ALA 112 HB3 ALA 112 61.906 19.257 16.672 875 H LEU 113 H LEU 113 59.800 17.159 14.298 876 HA LEU 113 HA LEU 113 59.600 15.248 16.344 877 HB2 LEU 113 HB2 LEU 113 58.272 15.702 13.710 878 HB3 LEU 113 HB3 LEU 113 58.051 14.122 14.453 879 HG LEU 113 HG LEU 113 57.654 16.596 16.115 880 HD11 LEU 113 HD11 LEU 113 55.507 15.352 14.374 881 HD12 LEU 113 HD12 LEU 113 56.341 16.852 13.970 882 HD13 LEU 113 HD13 LEU 113 55.343 16.761 15.421 883 HD21 LEU 113 HD21 LEU 113 57.515 14.624 17.392 884 HD22 LEU 113 HD22 LEU 113 56.742 13.726 16.086 885 HD23 LEU 113 HD23 LEU 113 55.825 14.934 16.989 886 H THR 114 H THR 114 60.669 14.884 12.977 887 HA THR 114 HA THR 114 61.093 12.090 13.154 888 HB THR 114 HB THR 114 62.311 12.334 11.037 889 HG1 THR 114 HG1 THR 114 61.930 15.060 11.221 890 HG21 THR 114 HG21 THR 114 60.036 14.284 10.877 891 HG22 THR 114 HG22 THR 114 59.708 12.621 11.364 892 HG23 THR 114 HG23 THR 114 60.441 12.952 9.795 893 H SER 115 H SER 115 63.300 14.836 13.617 894 HA SER 115 HA SER 115 65.669 13.315 13.831 895 HB2 SER 115 HB2 SER 115 66.653 15.305 14.793 896 HB3 SER 115 HB3 SER 115 65.570 15.783 13.490 897 HG SER 115 HG SER 115 64.256 16.586 14.949 898 H ALA 116 H ALA 116 63.302 14.344 16.265 899 HA ALA 116 HA ALA 116 64.751 13.502 18.533 900 HB1 ALA 116 HB1 ALA 116 62.875 14.996 18.789 901 HB2 ALA 116 HB2 ALA 116 62.506 13.502 19.651 902 HB3 ALA 116 HB3 ALA 116 61.778 13.813 18.076 903 H ALA 117 H ALA 117 62.331 11.823 16.534 904 HA ALA 117 HA ALA 117 62.201 9.465 18.066 905 HB1 ALA 117 HB1 ALA 117 61.011 8.541 16.280 906 HB2 ALA 117 HB2 ALA 117 61.923 9.451 15.075 907 HB3 ALA 117 HB3 ALA 117 60.725 10.269 16.079 908 H LEU 118 H LEU 118 64.351 10.415 15.413 909 HA LEU 118 HA LEU 118 65.591 7.879 15.108 910 HB2 LEU 118 HB2 LEU 118 66.548 10.657 14.395 911 HB3 LEU 118 HB3 LEU 118 67.366 9.171 13.913 912 HG LEU 118 HG LEU 118 64.461 9.746 13.279 913 HD11 LEU 118 HD11 LEU 118 66.834 9.977 11.410 914 HD12 LEU 118 HD12 LEU 118 66.110 11.366 12.221 915 HD13 LEU 118 HD13 LEU 118 65.159 10.419 11.077 916 HD21 LEU 118 HD21 LEU 118 65.140 7.976 11.465 917 HD22 LEU 118 HD22 LEU 118 64.783 7.432 13.104 918 HD23 LEU 118 HD23 LEU 118 66.457 7.607 12.578 919 H GLU 119 H GLU 119 66.333 10.685 17.135 920 HA GLU 119 HA GLU 119 68.535 9.123 18.372 921 HB2 GLU 119 HB2 GLU 119 69.282 11.118 17.054 922 HB3 GLU 119 HB3 GLU 119 68.356 12.133 18.159 923 HG2 GLU 119 HG2 GLU 119 69.660 11.199 20.061 924 HG3 GLU 119 HG3 GLU 119 70.624 10.273 18.920 925 H HIS 120 H HIS 120 68.187 8.590 20.408 926 HA HIS 120 HA HIS 120 66.327 10.223 22.034 927 HB2 HIS 120 HB2 HIS 120 67.100 7.317 22.276 928 HB3 HIS 120 HB3 HIS 120 66.094 8.178 23.425 929 HD1 HIS 120 HD1 HIS 120 66.052 6.537 20.090 930 HD2 HIS 120 HD2 HIS 120 63.459 8.818 22.426 931 HE1 HIS 120 HE1 HIS 120 63.755 6.298 19.051 932 H HIS 121 H HIS 121 69.559 8.867 21.881 933 HA HIS 121 HA HIS 121 70.308 8.911 24.554 934 HB2 HIS 121 HB2 HIS 121 71.976 9.574 22.127 935 HB3 HIS 121 HB3 HIS 121 72.614 9.209 23.719 936 HD1 HIS 121 HD1 HIS 121 71.824 6.704 24.632 937 HD2 HIS 121 HD2 HIS 121 71.751 7.362 20.516 938 HE1 HIS 121 HE1 HIS 121 71.797 4.420 23.543 939 H HIS 122 H HIS 122 70.274 11.572 22.205 940 HA HIS 122 HA HIS 122 70.936 13.442 24.413 941 HB2 HIS 122 HB2 HIS 122 71.446 13.720 21.451 942 HB3 HIS 122 HB3 HIS 122 71.776 14.952 22.653 943 HD1 HIS 122 HD1 HIS 122 73.533 14.080 24.620 944 HD2 HIS 122 HD2 HIS 122 73.594 12.076 20.965 945 HE1 HIS 122 HE1 HIS 122 75.742 12.849 24.517 946 H HIS 123 H HIS 123 69.446 14.880 24.955 947 HA HIS 123 HA HIS 123 66.861 14.947 23.877 948 HB2 HIS 123 HB2 HIS 123 68.347 17.036 25.469 949 HB3 HIS 123 HB3 HIS 123 66.624 17.074 25.144 950 HD1 HIS 123 HD1 HIS 123 69.217 15.394 27.240 951 HD2 HIS 123 HD2 HIS 123 65.101 15.144 26.626 952 HE1 HIS 123 HE1 HIS 123 68.299 13.974 29.122 953 H HIS 124 H HIS 124 69.711 16.917 23.170 954 HA HIS 124 HA HIS 124 68.183 18.332 21.065 955 HB2 HIS 124 HB2 HIS 124 70.751 19.113 22.450 956 HB3 HIS 124 HB3 HIS 124 69.952 20.035 21.191 957 HD1 HIS 124 HD1 HIS 124 67.398 20.822 21.874 958 HD2 HIS 124 HD2 HIS 124 69.961 19.794 24.997 959 HE1 HIS 124 HE1 HIS 124 66.401 21.820 23.976 960 H HIS 125 H HIS 125 68.891 18.301 18.981 961 HA HIS 125 HA HIS 125 70.399 16.147 18.036 962 HB2 HIS 125 HB2 HIS 125 68.818 17.435 16.662 963 HB3 HIS 125 HB3 HIS 125 69.900 18.815 16.711 964 HD1 HIS 125 HD1 HIS 125 71.958 18.770 15.166 965 HD2 HIS 125 HD2 HIS 125 69.665 15.294 14.961 966 HE1 HIS 125 HE1 HIS 125 72.801 17.475 13.162 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 58.286 8.913 6.990 2 H2 MET 1 HT2 MET 1 59.563 8.086 7.746 3 H3 MET 1 HT3 MET 1 59.139 9.650 8.259 4 HA MET 1 HA MET 1 57.459 7.214 8.506 5 HB2 MET 1 HB2 MET 1 58.965 8.889 10.536 6 HB3 MET 1 HB3 MET 1 57.811 7.622 10.952 7 HG2 MET 1 HG2 MET 1 59.190 5.989 9.670 8 HG3 MET 1 HG3 MET 1 60.372 7.263 9.370 9 HE1 MET 1 HE1 MET 1 61.346 4.417 11.268 10 HE2 MET 1 HE2 MET 1 62.581 5.624 11.619 11 HE3 MET 1 HE3 MET 1 61.824 5.585 10.029 12 H ASP 2 H ASP 2 55.778 7.844 10.344 13 HA ASP 2 HA ASP 2 54.608 10.481 9.670 14 HB2 ASP 2 HB2 ASP 2 53.155 7.853 10.058 15 HB3 ASP 2 HB3 ASP 2 52.383 9.420 9.818 16 HA PRO 3 HA PRO 3 55.485 10.035 14.234 17 HB2 PRO 3 HB2 PRO 3 55.490 12.801 14.657 18 HB3 PRO 3 HB3 PRO 3 56.921 11.802 14.346 19 HG2 PRO 3 HG2 PRO 3 55.363 13.496 12.476 20 HG3 PRO 3 HG3 PRO 3 57.112 13.208 12.562 21 HD2 PRO 3 HD2 PRO 3 55.605 12.014 10.684 22 HD3 PRO 3 HD3 PRO 3 56.976 11.167 11.437 23 H LYS 4 H LYS 4 54.109 10.377 16.027 24 HA LYS 4 HA LYS 4 51.368 11.264 15.338 25 HB2 LYS 4 HB2 LYS 4 52.332 9.311 17.445 26 HB3 LYS 4 HB3 LYS 4 50.652 9.775 17.182 27 HG2 LYS 4 HG2 LYS 4 50.823 8.933 14.841 28 HG3 LYS 4 HG3 LYS 4 52.460 8.381 15.189 29 HD2 LYS 4 HD2 LYS 4 51.549 6.979 17.038 30 HD3 LYS 4 HD3 LYS 4 49.920 7.456 16.559 31 HE2 LYS 4 HE2 LYS 4 50.081 6.344 14.477 32 HE3 LYS 4 HE3 LYS 4 51.837 6.227 14.579 33 HZ1 LYS 4 HZ1 LYS 4 49.794 4.683 16.040 34 HZ2 LYS 4 HZ2 LYS 4 51.365 4.845 16.667 35 HZ3 LYS 4 HZ3 LYS 4 51.123 4.118 15.150 36 H VAL 5 H VAL 5 50.455 12.904 16.511 37 HA VAL 5 HA VAL 5 51.751 13.670 19.057 38 HB VAL 5 HB VAL 5 51.335 16.065 18.480 39 HG11 VAL 5 HG11 VAL 5 53.254 16.039 16.685 40 HG12 VAL 5 HG12 VAL 5 53.283 14.308 17.024 41 HG13 VAL 5 HG13 VAL 5 53.576 15.467 18.322 42 HG21 VAL 5 HG21 VAL 5 51.183 16.548 15.999 43 HG22 VAL 5 HG22 VAL 5 49.713 15.879 16.707 44 HG23 VAL 5 HG23 VAL 5 50.783 14.847 15.758 45 H LEU 6 H LEU 6 50.491 14.456 20.636 46 HA LEU 6 HA LEU 6 47.584 14.112 20.277 47 HB2 LEU 6 HB2 LEU 6 48.750 12.778 22.049 48 HB3 LEU 6 HB3 LEU 6 49.156 14.292 22.856 49 HG LEU 6 HG LEU 6 46.615 14.794 22.751 50 HD11 LEU 6 HD11 LEU 6 46.607 11.782 22.375 51 HD12 LEU 6 HD12 LEU 6 46.077 12.960 21.175 52 HD13 LEU 6 HD13 LEU 6 45.191 12.787 22.690 53 HD21 LEU 6 HD21 LEU 6 47.920 14.207 24.807 54 HD22 LEU 6 HD22 LEU 6 47.580 12.505 24.494 55 HD23 LEU 6 HD23 LEU 6 46.260 13.617 24.857 56 H ILE 7 H ILE 7 46.184 15.771 20.601 57 HA ILE 7 HA ILE 7 47.363 18.432 21.042 58 HB ILE 7 HB ILE 7 44.592 17.744 20.035 59 HG12 ILE 7 HG12 ILE 7 46.949 18.694 18.391 60 HG13 ILE 7 HG13 ILE 7 46.540 16.985 18.550 61 HG21 ILE 7 HG21 ILE 7 44.815 19.992 21.022 62 HG22 ILE 7 HG22 ILE 7 44.620 20.100 19.272 63 HG23 ILE 7 HG23 ILE 7 46.214 20.311 19.996 64 HD11 ILE 7 HD11 ILE 7 44.382 18.921 17.767 65 HD12 ILE 7 HD12 ILE 7 44.545 17.208 17.387 66 HD13 ILE 7 HD13 ILE 7 45.548 18.395 16.555 67 H MET 8 H MET 8 46.983 19.560 22.810 68 HA MET 8 HA MET 8 44.919 18.680 24.707 69 HB2 MET 8 HB2 MET 8 47.258 20.576 25.022 70 HB3 MET 8 HB3 MET 8 46.106 20.176 26.297 71 HG2 MET 8 HG2 MET 8 46.696 17.748 25.962 72 HG3 MET 8 HG3 MET 8 47.980 18.271 24.872 73 HE1 MET 8 HE1 MET 8 47.588 18.720 29.371 74 HE2 MET 8 HE2 MET 8 46.418 18.155 28.183 75 HE3 MET 8 HE3 MET 8 46.686 19.886 28.394 76 H ARG 9 H ARG 9 43.179 19.954 25.213 77 HA ARG 9 HA ARG 9 42.249 21.724 23.254 78 HB2 ARG 9 HB2 ARG 9 40.806 20.503 24.880 79 HB3 ARG 9 HB3 ARG 9 41.364 21.593 26.147 80 HG2 ARG 9 HG2 ARG 9 40.527 23.521 24.770 81 HG3 ARG 9 HG3 ARG 9 39.828 22.354 23.649 82 HD2 ARG 9 HD2 ARG 9 39.172 22.557 26.600 83 HD3 ARG 9 HD3 ARG 9 38.158 23.147 25.289 84 HE ARG 9 HE ARG 9 38.783 20.380 24.951 85 HH11 ARG 9 HH11 ARG 9 36.696 22.526 26.791 86 HH12 ARG 9 HH12 ARG 9 35.468 21.320 26.992 87 HH21 ARG 9 HH21 ARG 9 37.163 18.877 25.237 88 HH22 ARG 9 HH22 ARG 9 35.732 19.279 26.126 89 H GLY 10 H GLY 10 42.172 23.904 23.068 90 HA2 GLY 10 HA2 GLY 10 43.333 25.643 25.097 91 HA3 GLY 10 HA3 GLY 10 44.225 25.528 23.582 92 H GLU 11 H GLU 11 43.428 27.974 24.093 93 HA GLU 11 HA GLU 11 40.791 28.716 23.475 94 HB2 GLU 11 HB2 GLU 11 43.380 30.232 23.133 95 HB3 GLU 11 HB3 GLU 11 41.790 30.946 22.876 96 HG2 GLU 11 HG2 GLU 11 42.292 31.491 25.112 97 HG3 GLU 11 HG3 GLU 11 41.227 30.100 25.244 98 H GLY 12 H GLY 12 43.494 27.916 21.363 99 HA2 GLY 12 HA2 GLY 12 42.391 28.995 18.970 100 HA3 GLY 12 HA3 GLY 12 43.656 27.774 19.066 101 H GLY 13 H GLY 13 41.967 27.420 17.057 102 HA2 GLY 13 HA2 GLY 13 39.683 25.798 17.856 103 HA3 GLY 13 HA3 GLY 13 40.121 26.251 16.213 104 H ARG 14 H ARG 14 39.610 23.635 17.892 105 HA ARG 14 HA ARG 14 41.889 22.014 17.821 106 HB2 ARG 14 HB2 ARG 14 39.010 21.225 17.298 107 HB3 ARG 14 HB3 ARG 14 40.316 20.117 17.710 108 HG2 ARG 14 HG2 ARG 14 40.627 21.313 19.862 109 HG3 ARG 14 HG3 ARG 14 39.267 22.363 19.457 110 HD2 ARG 14 HD2 ARG 14 37.874 20.254 19.189 111 HD3 ARG 14 HD3 ARG 14 39.219 19.373 19.906 112 HE ARG 14 HE ARG 14 38.638 21.487 21.624 113 HH11 ARG 14 HH11 ARG 14 37.008 18.601 20.464 114 HH12 ARG 14 HH12 ARG 14 35.996 18.489 21.865 115 HH21 ARG 14 HH21 ARG 14 37.298 21.298 23.395 116 HH22 ARG 14 HH22 ARG 14 36.161 19.996 23.505 117 H GLU 15 H GLU 15 39.464 22.695 15.325 118 HA GLU 15 HA GLU 15 40.364 20.780 13.455 119 HB2 GLU 15 HB2 GLU 15 38.860 23.372 13.032 120 HB3 GLU 15 HB3 GLU 15 39.068 22.119 11.809 121 HG2 GLU 15 HG2 GLU 15 37.974 20.488 13.336 122 HG3 GLU 15 HG3 GLU 15 37.703 21.783 14.493 123 H PHE 16 H PHE 16 41.184 24.218 13.893 124 HA PHE 16 HA PHE 16 42.605 24.564 11.502 125 HB2 PHE 16 HB2 PHE 16 41.910 26.386 13.040 126 HB3 PHE 16 HB3 PHE 16 43.152 25.873 14.167 127 HD1 PHE 16 HD1 PHE 16 42.514 27.367 10.841 128 HD2 PHE 16 HD2 PHE 16 45.466 26.433 13.819 129 HE1 PHE 16 HE1 PHE 16 44.155 28.807 9.666 130 HE2 PHE 16 HE2 PHE 16 47.107 27.874 12.644 131 HZ PHE 16 HZ PHE 16 46.452 29.061 10.568 132 H LEU 17 H LEU 17 43.885 23.806 14.753 133 HA LEU 17 HA LEU 17 46.580 23.627 13.928 134 HB2 LEU 17 HB2 LEU 17 45.271 22.203 16.261 135 HB3 LEU 17 HB3 LEU 17 46.989 22.545 16.075 136 HG LEU 17 HG LEU 17 44.856 24.698 16.183 137 HD11 LEU 17 HD11 LEU 17 46.743 23.814 18.385 138 HD12 LEU 17 HD12 LEU 17 45.045 23.342 18.301 139 HD13 LEU 17 HD13 LEU 17 45.480 25.040 18.495 140 HD21 LEU 17 HD21 LEU 17 47.877 24.770 16.473 141 HD22 LEU 17 HD22 LEU 17 46.802 26.159 16.623 142 HD23 LEU 17 HD23 LEU 17 46.969 25.338 15.071 143 H ALA 18 H ALA 18 44.070 21.135 14.254 144 HA ALA 18 HA ALA 18 45.741 18.924 13.818 145 HB1 ALA 18 HB1 ALA 18 43.474 17.922 12.916 146 HB2 ALA 18 HB2 ALA 18 42.800 19.421 13.554 147 HB3 ALA 18 HB3 ALA 18 43.656 18.312 14.626 148 H GLU 19 H GLU 19 43.908 20.908 11.485 149 HA GLU 19 HA GLU 19 44.409 19.283 9.248 150 HB2 GLU 19 HB2 GLU 19 43.837 22.239 9.465 151 HB3 GLU 19 HB3 GLU 19 43.971 21.390 7.925 152 HG2 GLU 19 HG2 GLU 19 42.188 19.829 8.647 153 HG3 GLU 19 HG3 GLU 19 42.025 20.721 10.151 154 H ARG 20 H ARG 20 46.292 21.949 10.676 155 HA ARG 20 HA ARG 20 48.177 22.171 8.595 156 HB2 ARG 20 HB2 ARG 20 48.569 22.609 11.563 157 HB3 ARG 20 HB3 ARG 20 49.694 23.126 10.307 158 HG2 ARG 20 HG2 ARG 20 47.827 24.448 9.267 159 HG3 ARG 20 HG3 ARG 20 46.827 24.040 10.661 160 HD2 ARG 20 HD2 ARG 20 49.439 25.575 10.709 161 HD3 ARG 20 HD3 ARG 20 47.834 26.233 11.007 162 HE ARG 20 HE ARG 20 48.091 24.232 12.860 163 HH11 ARG 20 HH11 ARG 20 49.968 27.100 12.098 164 HH12 ARG 20 HH12 ARG 20 50.612 27.223 13.701 165 HH21 ARG 20 HH21 ARG 20 48.970 24.432 14.897 166 HH22 ARG 20 HH22 ARG 20 50.052 25.734 15.266 167 H LEU 21 H LEU 21 48.328 20.185 11.576 168 HA LEU 21 HA LEU 21 50.874 19.103 10.988 169 HB2 LEU 21 HB2 LEU 21 48.653 18.132 12.785 170 HB3 LEU 21 HB3 LEU 21 50.217 17.324 12.668 171 HG LEU 21 HG LEU 21 49.936 20.272 13.296 172 HD11 LEU 21 HD11 LEU 21 48.942 19.374 15.195 173 HD12 LEU 21 HD12 LEU 21 50.640 19.307 15.665 174 HD13 LEU 21 HD13 LEU 21 49.830 17.857 15.073 175 HD21 LEU 21 HD21 LEU 21 52.170 18.265 13.200 176 HD22 LEU 21 HD22 LEU 21 52.277 19.600 14.347 177 HD23 LEU 21 HD23 LEU 21 52.141 19.931 12.619 178 H ARG 22 H ARG 22 47.609 17.970 10.190 179 HA ARG 22 HA ARG 22 48.367 15.443 9.183 180 HB2 ARG 22 HB2 ARG 22 46.018 17.216 8.492 181 HB3 ARG 22 HB3 ARG 22 46.207 15.561 7.915 182 HG2 ARG 22 HG2 ARG 22 46.325 14.778 10.270 183 HG3 ARG 22 HG3 ARG 22 46.048 16.430 10.817 184 HD2 ARG 22 HD2 ARG 22 43.916 16.427 9.463 185 HD3 ARG 22 HD3 ARG 22 44.171 14.707 9.182 186 HE ARG 22 HE ARG 22 44.184 15.550 11.971 187 HH11 ARG 22 HH11 ARG 22 42.275 14.227 9.339 188 HH12 ARG 22 HH12 ARG 22 41.082 13.562 10.404 189 HH21 ARG 22 HH21 ARG 22 42.615 14.673 13.293 190 HH22 ARG 22 HH22 ARG 22 41.274 13.813 12.615 191 H GLY 23 H GLY 23 48.081 18.612 7.598 192 HA2 GLY 23 HA2 GLY 23 48.439 17.748 4.954 193 HA3 GLY 23 HA3 GLY 23 48.826 19.355 5.553 194 H GLN 24 H GLN 24 50.806 18.379 7.493 195 HA GLN 24 HA GLN 24 53.024 18.050 5.643 196 HB2 GLN 24 HB2 GLN 24 52.943 18.476 8.627 197 HB3 GLN 24 HB3 GLN 24 54.429 18.345 7.683 198 HG2 GLN 24 HG2 GLN 24 53.752 20.251 6.302 199 HG3 GLN 24 HG3 GLN 24 52.231 20.370 7.182 200 HE21 GLN 24 HE21 GLN 24 54.144 22.525 7.062 201 HE22 GLN 24 HE22 GLN 24 54.745 22.774 8.628 202 H GLY 25 H GLY 25 51.057 15.748 6.775 203 HA2 GLY 25 HA2 GLY 25 51.433 13.456 6.450 204 HA3 GLY 25 HA3 GLY 25 53.162 13.752 6.500 205 H VAL 26 H VAL 26 51.386 15.167 9.103 206 HA VAL 26 HA VAL 26 52.404 13.083 10.914 207 HB VAL 26 HB VAL 26 51.351 15.850 11.563 208 HG11 VAL 26 HG11 VAL 26 51.209 14.124 13.385 209 HG12 VAL 26 HG12 VAL 26 52.294 15.461 13.765 210 HG13 VAL 26 HG13 VAL 26 52.954 13.908 13.253 211 HG21 VAL 26 HG21 VAL 26 54.171 14.783 11.236 212 HG22 VAL 26 HG22 VAL 26 53.789 16.334 11.984 213 HG23 VAL 26 HG23 VAL 26 53.402 16.053 10.286 214 H GLN 27 H GLN 27 51.074 11.940 12.255 215 HA GLN 27 HA GLN 27 48.233 11.914 11.605 216 HB2 GLN 27 HB2 GLN 27 49.814 10.252 13.580 217 HB3 GLN 27 HB3 GLN 27 48.152 9.951 13.077 218 HG2 GLN 27 HG2 GLN 27 48.964 9.719 10.720 219 HG3 GLN 27 HG3 GLN 27 50.617 9.868 11.315 220 HE21 GLN 27 HE21 GLN 27 51.571 8.022 12.335 221 HE22 GLN 27 HE22 GLN 27 50.765 6.537 12.485 222 H VAL 28 H VAL 28 46.646 12.761 12.877 223 HA VAL 28 HA VAL 28 47.541 14.151 15.346 224 HB VAL 28 HB VAL 28 45.398 15.035 13.399 225 HG11 VAL 28 HG11 VAL 28 45.345 17.065 14.697 226 HG12 VAL 28 HG12 VAL 28 46.713 16.539 15.676 227 HG13 VAL 28 HG13 VAL 28 45.157 15.721 15.821 228 HG21 VAL 28 HG21 VAL 28 46.991 16.787 12.745 229 HG22 VAL 28 HG22 VAL 28 47.686 15.196 12.437 230 HG23 VAL 28 HG23 VAL 28 48.198 16.123 13.846 231 H ASP 29 H ASP 29 46.557 13.612 17.155 232 HA ASP 29 HA ASP 29 43.699 12.880 17.054 233 HB2 ASP 29 HB2 ASP 29 45.092 10.821 17.365 234 HB3 ASP 29 HB3 ASP 29 45.744 11.534 18.838 235 H TYR 30 H TYR 30 42.481 13.961 18.570 236 HA TYR 30 HA TYR 30 43.977 15.624 20.522 237 HB2 TYR 30 HB2 TYR 30 42.275 17.299 20.306 238 HB3 TYR 30 HB3 TYR 30 42.910 16.910 18.721 239 HD1 TYR 30 HD1 TYR 30 39.981 17.005 20.860 240 HD2 TYR 30 HD2 TYR 30 41.547 15.497 17.154 241 HE1 TYR 30 HE1 TYR 30 37.673 16.570 20.062 242 HE2 TYR 30 HE2 TYR 30 39.238 15.061 16.357 243 HH TYR 30 HH TYR 30 37.067 14.938 17.052 244 H LEU 31 H LEU 31 43.355 15.658 22.606 245 HA LEU 31 HA LEU 31 41.164 13.837 23.395 246 HB2 LEU 31 HB2 LEU 31 43.382 12.952 23.957 247 HB3 LEU 31 HB3 LEU 31 43.772 14.442 24.805 248 HG LEU 31 HG LEU 31 41.536 13.816 26.166 249 HD11 LEU 31 HD11 LEU 31 40.870 11.838 25.052 250 HD12 LEU 31 HD12 LEU 31 41.661 11.279 26.528 251 HD13 LEU 31 HD13 LEU 31 42.523 11.222 24.988 252 HD21 LEU 31 HD21 LEU 31 43.720 14.113 27.203 253 HD22 LEU 31 HD22 LEU 31 44.260 12.555 26.577 254 HD23 LEU 31 HD23 LEU 31 42.993 12.622 27.801 255 HA PRO 32 HA PRO 32 39.792 17.650 25.503 256 HB2 PRO 32 HB2 PRO 32 37.785 16.606 27.042 257 HB3 PRO 32 HB3 PRO 32 37.596 16.986 25.319 258 HG2 PRO 32 HG2 PRO 32 38.018 14.370 26.639 259 HG3 PRO 32 HG3 PRO 32 37.046 14.780 25.217 260 HD2 PRO 32 HD2 PRO 32 39.529 13.600 25.069 261 HD3 PRO 32 HD3 PRO 32 38.818 14.582 23.773 262 H LEU 33 H LEU 33 40.490 18.603 27.355 263 HA LEU 33 HA LEU 33 42.287 17.266 29.046 264 HB2 LEU 33 HB2 LEU 33 40.836 19.881 29.500 265 HB3 LEU 33 HB3 LEU 33 42.250 19.331 30.395 266 HG LEU 33 HG LEU 33 42.187 19.725 27.389 267 HD11 LEU 33 HD11 LEU 33 43.877 21.647 28.240 268 HD12 LEU 33 HD12 LEU 33 42.819 21.580 29.648 269 HD13 LEU 33 HD13 LEU 33 42.147 21.932 28.063 270 HD21 LEU 33 HD21 LEU 33 44.704 19.663 27.770 271 HD22 LEU 33 HD22 LEU 33 43.871 18.127 27.988 272 HD23 LEU 33 HD23 LEU 33 44.359 19.076 29.396 273 H ASP 34 H ASP 34 38.905 17.050 29.173 274 HA ASP 34 HA ASP 34 38.618 17.016 32.025 275 HB2 ASP 34 HB2 ASP 34 36.784 16.096 29.811 276 HB3 ASP 34 HB3 ASP 34 36.339 16.160 31.514 277 H TYR 35 H TYR 35 39.942 14.674 29.927 278 HA TYR 35 HA TYR 35 38.841 12.328 31.046 279 HB2 TYR 35 HB2 TYR 35 41.220 12.971 29.399 280 HB3 TYR 35 HB3 TYR 35 41.252 11.442 30.253 281 HD1 TYR 35 HD1 TYR 35 39.669 9.663 29.716 282 HD2 TYR 35 HD2 TYR 35 39.637 13.394 27.591 283 HE1 TYR 35 HE1 TYR 35 38.254 8.645 27.954 284 HE2 TYR 35 HE2 TYR 35 38.220 12.376 25.828 285 HH TYR 35 HH TYR 35 37.896 9.425 25.234 286 HA PRO 36 HA PRO 36 40.892 12.397 34.962 287 HB2 PRO 36 HB2 PRO 36 40.679 9.832 35.786 288 HB3 PRO 36 HB3 PRO 36 39.264 10.895 35.634 289 HG2 PRO 36 HG2 PRO 36 40.227 8.759 33.806 290 HG3 PRO 36 HG3 PRO 36 38.571 9.193 34.267 291 HD2 PRO 36 HD2 PRO 36 39.756 9.962 31.893 292 HD3 PRO 36 HD3 PRO 36 38.406 10.818 32.660 293 H ALA 37 H ALA 37 42.738 11.674 36.183 294 HA ALA 37 HA ALA 37 45.096 11.489 34.741 295 HB1 ALA 37 HB1 ALA 37 44.424 10.782 37.590 296 HB2 ALA 37 HB2 ALA 37 45.270 12.205 36.981 297 HB3 ALA 37 HB3 ALA 37 46.065 10.631 36.959 298 H GLY 38 H GLY 38 46.620 9.816 34.429 299 HA2 GLY 38 HA2 GLY 38 47.275 7.543 34.277 300 HA3 GLY 38 HA3 GLY 38 45.614 7.066 34.614 301 H GLU 39 H GLU 39 44.364 8.805 32.661 302 HA GLU 39 HA GLU 39 44.400 7.053 30.455 303 HB2 GLU 39 HB2 GLU 39 43.376 9.890 30.679 304 HB3 GLU 39 HB3 GLU 39 43.059 8.820 29.313 305 HG2 GLU 39 HG2 GLU 39 42.320 8.244 32.197 306 HG3 GLU 39 HG3 GLU 39 41.205 8.783 30.949 307 H LEU 40 H LEU 40 46.101 10.098 31.061 308 HA LEU 40 HA LEU 40 46.965 10.606 28.433 309 HB2 LEU 40 HB2 LEU 40 47.147 12.213 30.328 310 HB3 LEU 40 HB3 LEU 40 48.437 11.221 31.008 311 HG LEU 40 HG LEU 40 49.662 11.499 28.793 312 HD11 LEU 40 HD11 LEU 40 47.420 13.501 28.428 313 HD12 LEU 40 HD12 LEU 40 47.860 12.174 27.354 314 HD13 LEU 40 HD13 LEU 40 48.927 13.569 27.515 315 HD21 LEU 40 HD21 LEU 40 50.664 13.507 29.506 316 HD22 LEU 40 HD22 LEU 40 49.948 12.876 30.989 317 HD23 LEU 40 HD23 LEU 40 49.139 14.165 30.097 318 H LEU 41 H LEU 41 48.473 8.753 31.066 319 HA LEU 41 HA LEU 41 50.873 8.156 29.703 320 HB2 LEU 41 HB2 LEU 41 50.492 7.906 32.168 321 HB3 LEU 41 HB3 LEU 41 49.516 6.479 31.825 322 HG LEU 41 HG LEU 41 51.589 5.637 30.507 323 HD11 LEU 41 HD11 LEU 41 53.693 6.605 31.741 324 HD12 LEU 41 HD12 LEU 41 52.657 8.004 32.018 325 HD13 LEU 41 HD13 LEU 41 53.014 7.483 30.371 326 HD21 LEU 41 HD21 LEU 41 51.103 4.421 32.436 327 HD22 LEU 41 HD22 LEU 41 51.264 5.827 33.487 328 HD23 LEU 41 HD23 LEU 41 52.702 5.051 32.825 329 H ALA 42 H ALA 42 47.792 6.394 29.923 330 HA ALA 42 HA ALA 42 48.692 4.032 28.675 331 HB1 ALA 42 HB1 ALA 42 46.181 3.772 28.125 332 HB2 ALA 42 HB2 ALA 42 45.971 5.274 29.027 333 HB3 ALA 42 HB3 ALA 42 46.647 3.853 29.824 334 H ARG 43 H ARG 43 47.104 6.913 27.317 335 HA ARG 43 HA ARG 43 46.940 5.963 24.663 336 HB2 ARG 43 HB2 ARG 43 47.232 8.817 25.637 337 HB3 ARG 43 HB3 ARG 43 46.692 8.329 24.031 338 HG2 ARG 43 HG2 ARG 43 45.293 7.523 26.593 339 HG3 ARG 43 HG3 ARG 43 44.817 8.905 25.610 340 HD2 ARG 43 HD2 ARG 43 44.540 7.343 23.664 341 HD3 ARG 43 HD3 ARG 43 44.854 5.997 24.755 342 HE ARG 43 HE ARG 43 42.738 7.747 25.653 343 HH11 ARG 43 HH11 ARG 43 43.464 4.938 23.675 344 HH12 ARG 43 HH12 ARG 43 41.843 4.337 23.760 345 HH21 ARG 43 HH21 ARG 43 40.668 6.922 25.726 346 HH22 ARG 43 HH22 ARG 43 40.280 5.446 24.907 347 H VAL 44 H VAL 44 49.509 7.729 26.367 348 HA VAL 44 HA VAL 44 51.100 8.260 24.107 349 HB VAL 44 HB VAL 44 51.908 7.859 27.000 350 HG11 VAL 44 HG11 VAL 44 53.411 9.301 24.795 351 HG12 VAL 44 HG12 VAL 44 53.819 7.686 25.374 352 HG13 VAL 44 HG13 VAL 44 53.940 9.069 26.461 353 HG21 VAL 44 HG21 VAL 44 51.503 10.130 27.316 354 HG22 VAL 44 HG22 VAL 44 50.207 9.716 26.197 355 HG23 VAL 44 HG23 VAL 44 51.663 10.507 25.602 356 H ARG 45 H ARG 45 51.089 5.502 26.355 357 HA ARG 45 HA ARG 45 53.374 4.244 25.226 358 HB2 ARG 45 HB2 ARG 45 51.137 3.141 26.932 359 HB3 ARG 45 HB3 ARG 45 52.618 2.266 26.536 360 HG2 ARG 45 HG2 ARG 45 53.939 4.132 27.543 361 HG3 ARG 45 HG3 ARG 45 52.426 4.891 28.039 362 HD2 ARG 45 HD2 ARG 45 53.411 2.154 28.889 363 HD3 ARG 45 HD3 ARG 45 53.358 3.597 29.896 364 HE ARG 45 HE ARG 45 50.778 3.310 29.071 365 HH11 ARG 45 HH11 ARG 45 53.022 1.107 30.632 366 HH12 ARG 45 HH12 ARG 45 51.761 0.234 31.434 367 HH21 ARG 45 HH21 ARG 45 49.197 2.148 30.130 368 HH22 ARG 45 HH22 ARG 45 49.623 0.816 31.153 369 H ALA 46 H ALA 46 49.882 3.613 24.817 370 HA ALA 46 HA ALA 46 50.268 1.319 23.186 371 HB1 ALA 46 HB1 ALA 46 47.800 3.050 23.209 372 HB2 ALA 46 HB2 ALA 46 48.192 1.946 24.526 373 HB3 ALA 46 HB3 ALA 46 47.916 1.318 22.901 374 H GLU 47 H GLU 47 49.513 4.718 22.409 375 HA GLU 47 HA GLU 47 49.437 4.193 19.579 376 HB2 GLU 47 HB2 GLU 47 49.493 6.786 21.130 377 HB3 GLU 47 HB3 GLU 47 49.233 6.655 19.390 378 HG2 GLU 47 HG2 GLU 47 47.268 5.190 19.823 379 HG3 GLU 47 HG3 GLU 47 47.501 5.423 21.550 380 H ARG 48 H ARG 48 52.049 4.602 21.729 381 HA ARG 48 HA ARG 48 54.271 5.104 21.444 382 HB2 ARG 48 HB2 ARG 48 53.600 4.311 18.600 383 HB3 ARG 48 HB3 ARG 48 55.234 4.498 19.234 384 HG2 ARG 48 HG2 ARG 48 54.720 2.781 20.969 385 HG3 ARG 48 HG3 ARG 48 53.139 2.542 20.221 386 HD2 ARG 48 HD2 ARG 48 54.328 2.007 18.065 387 HD3 ARG 48 HD3 ARG 48 55.847 2.051 18.957 388 HE ARG 48 HE ARG 48 55.306 0.005 19.909 389 HH11 ARG 48 HH11 ARG 48 52.444 1.297 18.338 390 HH12 ARG 48 HH12 ARG 48 51.549 -0.173 18.537 391 HH21 ARG 48 HH21 ARG 48 54.104 -1.859 20.137 392 HH22 ARG 48 HH22 ARG 48 52.479 -1.937 19.544 393 H LEU 49 H LEU 49 53.023 7.334 21.756 394 HA LEU 49 HA LEU 49 53.007 9.106 19.492 395 HB2 LEU 49 HB2 LEU 49 52.769 9.678 22.455 396 HB3 LEU 49 HB3 LEU 49 52.499 10.859 21.174 397 HG LEU 49 HG LEU 49 50.971 8.252 21.418 398 HD11 LEU 49 HD11 LEU 49 49.264 9.386 22.537 399 HD12 LEU 49 HD12 LEU 49 49.807 10.967 21.978 400 HD13 LEU 49 HD13 LEU 49 50.694 10.131 23.251 401 HD21 LEU 49 HD21 LEU 49 49.410 9.749 19.906 402 HD22 LEU 49 HD22 LEU 49 50.790 8.922 19.183 403 HD23 LEU 49 HD23 LEU 49 50.901 10.637 19.583 404 H ASN 50 H ASN 50 54.349 10.834 19.049 405 HA ASN 50 HA ASN 50 57.083 10.552 20.077 406 HB2 ASN 50 HB2 ASN 50 56.017 12.158 17.745 407 HB3 ASN 50 HB3 ASN 50 57.713 11.985 18.182 408 HD21 ASN 50 HD21 ASN 50 58.808 10.231 17.278 409 HD22 ASN 50 HD22 ASN 50 58.052 8.941 16.479 410 H GLY 51 H GLY 51 54.447 12.924 19.760 411 HA2 GLY 51 HA2 GLY 51 55.891 14.692 21.617 412 HA3 GLY 51 HA3 GLY 51 55.559 15.324 20.014 413 H LEU 52 H LEU 52 54.699 16.621 22.203 414 HA LEU 52 HA LEU 52 51.760 16.249 22.130 415 HB2 LEU 52 HB2 LEU 52 53.386 17.182 24.510 416 HB3 LEU 52 HB3 LEU 52 51.637 16.977 24.455 417 HG LEU 52 HG LEU 52 53.647 14.746 24.029 418 HD11 LEU 52 HD11 LEU 52 52.010 15.595 26.429 419 HD12 LEU 52 HD12 LEU 52 53.759 15.383 26.334 420 HD13 LEU 52 HD13 LEU 52 52.695 13.978 26.269 421 HD21 LEU 52 HD21 LEU 52 50.624 14.818 24.263 422 HD22 LEU 52 HD22 LEU 52 51.575 13.335 24.350 423 HD23 LEU 52 HD23 LEU 52 51.569 14.293 22.870 424 H VAL 53 H VAL 53 50.533 18.138 21.969 425 HA VAL 53 HA VAL 53 52.065 20.653 21.594 426 HB VAL 53 HB VAL 53 49.515 19.801 20.192 427 HG11 VAL 53 HG11 VAL 53 51.298 22.237 19.948 428 HG12 VAL 53 HG12 VAL 53 49.591 22.199 20.388 429 HG13 VAL 53 HG13 VAL 53 50.087 21.799 18.744 430 HG21 VAL 53 HG21 VAL 53 50.781 19.313 18.281 431 HG22 VAL 53 HG22 VAL 53 51.788 18.648 19.563 432 HG23 VAL 53 HG23 VAL 53 52.180 20.214 18.857 433 H VAL 54 H VAL 54 51.529 22.278 22.934 434 HA VAL 54 HA VAL 54 48.773 22.348 24.024 435 HB VAL 54 HB VAL 54 49.736 23.527 26.023 436 HG11 VAL 54 HG11 VAL 54 50.195 20.642 25.370 437 HG12 VAL 54 HG12 VAL 54 49.045 21.377 26.488 438 HG13 VAL 54 HG13 VAL 54 50.750 21.276 26.921 439 HG21 VAL 54 HG21 VAL 54 51.994 23.883 24.765 440 HG22 VAL 54 HG22 VAL 54 52.359 22.241 25.297 441 HG23 VAL 54 HG23 VAL 54 52.031 23.501 26.487 442 H SER 55 H SER 55 47.775 24.296 24.121 443 HA SER 55 HA SER 55 49.057 26.468 22.601 444 HB2 SER 55 HB2 SER 55 46.783 25.427 21.959 445 HB3 SER 55 HB3 SER 55 46.144 26.341 23.321 446 HG SER 55 HG SER 55 46.435 28.084 22.192 447 H SER 56 H SER 56 48.309 25.690 25.862 448 HA SER 56 HA SER 56 48.670 28.467 26.653 449 HB2 SER 56 HB2 SER 56 46.590 28.685 27.847 450 HB3 SER 56 HB3 SER 56 46.223 28.248 26.182 451 HG SER 56 HG SER 56 45.946 26.152 26.909 452 H GLY 57 H GLY 57 48.937 28.756 28.938 453 HA2 GLY 57 HA2 GLY 57 50.517 26.835 30.207 454 HA3 GLY 57 HA3 GLY 57 49.723 28.178 31.022 455 H GLN 58 H GLN 58 47.019 27.406 30.397 456 HA GLN 58 HA GLN 58 46.451 25.782 32.611 457 HB2 GLN 58 HB2 GLN 58 44.775 26.377 30.162 458 HB3 GLN 58 HB3 GLN 58 44.163 25.615 31.631 459 HG2 GLN 58 HG2 GLN 58 44.787 27.576 32.949 460 HG3 GLN 58 HG3 GLN 58 45.495 28.335 31.526 461 HE21 GLN 58 HE21 GLN 58 43.374 29.583 32.991 462 HE22 GLN 58 HE22 GLN 58 41.994 29.620 32.002 463 H GLY 59 H GLY 59 46.608 24.960 29.145 464 HA2 GLY 59 HA2 GLY 59 45.885 22.256 29.368 465 HA3 GLY 59 HA3 GLY 59 46.874 22.939 28.080 466 H LEU 60 H LEU 60 49.066 23.837 29.515 467 HA LEU 60 HA LEU 60 50.669 21.554 29.609 468 HB2 LEU 60 HB2 LEU 60 51.494 23.876 29.322 469 HB3 LEU 60 HB3 LEU 60 51.131 24.194 31.018 470 HG LEU 60 HG LEU 60 52.656 22.293 31.637 471 HD11 LEU 60 HD11 LEU 60 54.344 21.827 29.663 472 HD12 LEU 60 HD12 LEU 60 52.970 22.278 28.652 473 HD13 LEU 60 HD13 LEU 60 52.837 20.918 29.766 474 HD21 LEU 60 HD21 LEU 60 53.903 24.511 29.981 475 HD22 LEU 60 HD22 LEU 60 54.726 23.563 31.220 476 HD23 LEU 60 HD23 LEU 60 53.415 24.653 31.670 477 H GLN 61 H GLN 61 49.159 23.368 32.257 478 HA GLN 61 HA GLN 61 50.263 21.859 34.373 479 HB2 GLN 61 HB2 GLN 61 47.684 23.434 34.223 480 HB3 GLN 61 HB3 GLN 61 48.360 22.776 35.713 481 HG2 GLN 61 HG2 GLN 61 49.766 24.734 33.870 482 HG3 GLN 61 HG3 GLN 61 48.991 25.151 35.397 483 HE21 GLN 61 HE21 GLN 61 52.003 24.739 34.218 484 HE22 GLN 61 HE22 GLN 61 52.772 24.056 35.566 485 H ASN 62 H ASN 62 47.220 21.490 32.576 486 HA ASN 62 HA ASN 62 46.161 19.347 34.041 487 HB2 ASN 62 HB2 ASN 62 45.897 19.936 31.084 488 HB3 ASN 62 HB3 ASN 62 44.866 18.839 32.003 489 HD21 ASN 62 HD21 ASN 62 44.550 21.708 30.673 490 HD22 ASN 62 HD22 ASN 62 43.686 22.552 31.864 491 H LEU 63 H LEU 63 48.458 19.389 31.346 492 HA LEU 63 HA LEU 63 48.580 16.642 30.823 493 HB2 LEU 63 HB2 LEU 63 49.670 18.468 29.475 494 HB3 LEU 63 HB3 LEU 63 50.904 18.578 30.725 495 HG LEU 63 HG LEU 63 51.182 16.018 30.371 496 HD11 LEU 63 HD11 LEU 63 49.093 15.909 28.926 497 HD12 LEU 63 HD12 LEU 63 50.529 15.165 28.222 498 HD13 LEU 63 HD13 LEU 63 50.007 16.760 27.681 499 HD21 LEU 63 HD21 LEU 63 52.810 16.422 28.588 500 HD22 LEU 63 HD22 LEU 63 52.833 17.772 29.723 501 HD23 LEU 63 HD23 LEU 63 52.009 17.938 28.172 502 H TYR 64 H TYR 64 50.402 18.636 33.111 503 HA TYR 64 HA TYR 64 52.144 16.639 34.052 504 HB2 TYR 64 HB2 TYR 64 52.324 19.109 34.447 505 HB3 TYR 64 HB3 TYR 64 51.027 18.966 35.617 506 HD1 TYR 64 HD1 TYR 64 51.412 17.976 37.803 507 HD2 TYR 64 HD2 TYR 64 54.546 18.156 34.868 508 HE1 TYR 64 HE1 TYR 64 53.084 17.422 39.551 509 HE2 TYR 64 HE2 TYR 64 56.207 17.608 36.607 510 HH TYR 64 HH TYR 64 56.377 17.741 39.079 511 H GLN 65 H GLN 65 48.986 17.716 35.276 512 HA GLN 65 HA GLN 65 48.944 16.064 37.561 513 HB2 GLN 65 HB2 GLN 65 46.662 17.213 35.939 514 HB3 GLN 65 HB3 GLN 65 46.482 16.457 37.523 515 HG2 GLN 65 HG2 GLN 65 47.967 18.120 38.523 516 HG3 GLN 65 HG3 GLN 65 48.254 18.847 36.945 517 HE21 GLN 65 HE21 GLN 65 47.157 20.363 39.113 518 HE22 GLN 65 HE22 GLN 65 45.557 20.770 38.721 519 H LEU 66 H LEU 66 47.688 15.533 34.281 520 HA LEU 66 HA LEU 66 46.526 13.012 34.849 521 HB2 LEU 66 HB2 LEU 66 47.464 14.178 32.217 522 HB3 LEU 66 HB3 LEU 66 46.501 12.711 32.375 523 HG LEU 66 HG LEU 66 45.649 15.431 33.414 524 HD11 LEU 66 HD11 LEU 66 45.509 15.701 31.096 525 HD12 LEU 66 HD12 LEU 66 43.916 15.038 31.465 526 HD13 LEU 66 HD13 LEU 66 45.180 13.993 30.815 527 HD21 LEU 66 HD21 LEU 66 44.556 13.710 34.665 528 HD22 LEU 66 HD22 LEU 66 44.318 12.718 33.226 529 HD23 LEU 66 HD23 LEU 66 43.396 14.208 33.434 530 H ALA 67 H ALA 67 49.757 13.951 33.796 531 HA ALA 67 HA ALA 67 50.763 11.418 33.142 532 HB1 ALA 67 HB1 ALA 67 52.106 13.858 34.320 533 HB2 ALA 67 HB2 ALA 67 52.052 13.378 32.624 534 HB3 ALA 67 HB3 ALA 67 52.987 12.429 33.781 535 H ALA 68 H ALA 68 50.554 13.094 36.272 536 HA ALA 68 HA ALA 68 50.549 12.262 38.411 537 HB1 ALA 68 HB1 ALA 68 50.069 9.476 37.477 538 HB2 ALA 68 HB2 ALA 68 48.892 10.688 36.973 539 HB3 ALA 68 HB3 ALA 68 49.207 10.424 38.689 540 H ALA 69 H ALA 69 51.479 9.239 38.800 541 HA ALA 69 HA ALA 69 54.059 9.936 39.663 542 HB1 ALA 69 HB1 ALA 69 52.686 8.065 40.559 543 HB2 ALA 69 HB2 ALA 69 54.335 7.587 40.153 544 HB3 ALA 69 HB3 ALA 69 53.003 7.166 39.075 545 H ASP 70 H ASP 70 52.988 9.088 36.478 546 HA ASP 70 HA ASP 70 55.595 7.987 35.715 547 HB2 ASP 70 HB2 ASP 70 53.052 8.342 34.123 548 HB3 ASP 70 HB3 ASP 70 54.509 7.521 33.561 549 H TRP 71 H TRP 71 54.690 11.074 36.138 550 HA TRP 71 HA TRP 71 55.083 12.461 33.813 551 HB2 TRP 71 HB2 TRP 71 54.487 13.621 35.775 552 HB3 TRP 71 HB3 TRP 71 55.912 13.089 36.630 553 HD1 TRP 71 HD1 TRP 71 57.688 14.851 36.861 554 HE1 TRP 71 HE1 TRP 71 58.345 16.999 35.601 555 HE3 TRP 71 HE3 TRP 71 54.370 14.667 32.977 556 HZ2 TRP 71 HZ2 TRP 71 57.601 18.433 33.250 557 HZ3 TRP 71 HZ3 TRP 71 54.376 16.431 31.240 558 HH2 TRP 71 HH2 TRP 71 55.987 18.313 31.370 559 HA PRO 72 HA PRO 72 60.013 12.216 34.544 560 HB2 PRO 72 HB2 PRO 72 59.842 9.288 35.168 561 HB3 PRO 72 HB3 PRO 72 61.077 10.473 35.644 562 HG2 PRO 72 HG2 PRO 72 59.202 9.667 37.346 563 HG3 PRO 72 HG3 PRO 72 59.798 11.336 37.336 564 HD2 PRO 72 HD2 PRO 72 57.175 10.289 36.452 565 HD3 PRO 72 HD3 PRO 72 57.618 11.924 36.985 566 H GLU 73 H GLU 73 57.983 9.487 33.391 567 HA GLU 73 HA GLU 73 59.750 8.966 31.159 568 HB2 GLU 73 HB2 GLU 73 56.979 7.937 31.811 569 HB3 GLU 73 HB3 GLU 73 57.978 7.362 30.475 570 HG2 GLU 73 HG2 GLU 73 59.754 6.747 32.105 571 HG3 GLU 73 HG3 GLU 73 58.694 7.244 33.417 572 H ILE 74 H ILE 74 56.506 10.351 31.582 573 HA ILE 74 HA ILE 74 55.933 10.748 28.863 574 HB ILE 74 HB ILE 74 54.943 12.263 31.294 575 HG12 ILE 74 HG12 ILE 74 53.648 9.991 29.764 576 HG13 ILE 74 HG13 ILE 74 54.638 9.734 31.200 577 HG21 ILE 74 HG21 ILE 74 52.893 12.436 29.581 578 HG22 ILE 74 HG22 ILE 74 54.196 12.338 28.397 579 HG23 ILE 74 HG23 ILE 74 54.186 13.634 29.593 580 HD11 ILE 74 HD11 ILE 74 52.002 10.027 31.387 581 HD12 ILE 74 HD12 ILE 74 52.421 11.739 31.364 582 HD13 ILE 74 HD13 ILE 74 53.081 10.686 32.615 583 H GLY 75 H GLY 75 57.666 12.765 31.168 584 HA2 GLY 75 HA2 GLY 75 57.601 15.195 29.746 585 HA3 GLY 75 HA3 GLY 75 58.762 14.766 30.991 586 H ARG 76 H ARG 76 59.354 12.336 29.030 587 HA ARG 76 HA ARG 76 61.650 13.521 27.827 588 HB2 ARG 76 HB2 ARG 76 60.369 10.804 27.524 589 HB3 ARG 76 HB3 ARG 76 61.912 11.256 26.789 590 HG2 ARG 76 HG2 ARG 76 62.801 11.848 29.000 591 HG3 ARG 76 HG3 ARG 76 61.275 11.378 29.752 592 HD2 ARG 76 HD2 ARG 76 61.620 9.079 28.776 593 HD3 ARG 76 HD3 ARG 76 63.229 9.600 28.281 594 HE ARG 76 HE ARG 76 62.648 10.013 31.088 595 HH11 ARG 76 HH11 ARG 76 63.945 7.756 28.732 596 HH12 ARG 76 HH12 ARG 76 64.861 6.889 29.919 597 HH21 ARG 76 HH21 ARG 76 63.847 8.860 32.570 598 HH22 ARG 76 HH22 ARG 76 64.806 7.508 32.065 599 H LEU 77 H LEU 77 58.391 12.911 26.689 600 HA LEU 77 HA LEU 77 58.991 12.961 23.912 601 HB2 LEU 77 HB2 LEU 77 56.422 13.520 25.403 602 HB3 LEU 77 HB3 LEU 77 56.542 13.352 23.651 603 HG LEU 77 HG LEU 77 57.658 11.199 25.423 604 HD11 LEU 77 HD11 LEU 77 55.551 10.117 25.617 605 HD12 LEU 77 HD12 LEU 77 54.789 11.222 24.473 606 HD13 LEU 77 HD13 LEU 77 55.244 11.791 26.080 607 HD21 LEU 77 HD21 LEU 77 56.435 11.311 22.649 608 HD22 LEU 77 HD22 LEU 77 56.952 9.822 23.441 609 HD23 LEU 77 HD23 LEU 77 58.136 11.067 23.044 610 HA PRO 78 HA PRO 78 59.859 17.421 23.782 611 HB2 PRO 78 HB2 PRO 78 58.919 17.203 20.956 612 HB3 PRO 78 HB3 PRO 78 60.405 17.930 21.605 613 HG2 PRO 78 HG2 PRO 78 60.471 15.590 20.378 614 HG3 PRO 78 HG3 PRO 78 61.476 15.903 21.807 615 HD2 PRO 78 HD2 PRO 78 58.965 14.295 21.594 616 HD3 PRO 78 HD3 PRO 78 60.397 14.018 22.610 617 H LEU 79 H LEU 79 58.583 19.065 24.373 618 HA LEU 79 HA LEU 79 55.710 18.966 23.683 619 HB2 LEU 79 HB2 LEU 79 56.359 19.040 26.098 620 HB3 LEU 79 HB3 LEU 79 57.093 20.617 25.809 621 HG LEU 79 HG LEU 79 54.803 21.311 24.850 622 HD11 LEU 79 HD11 LEU 79 52.951 19.932 26.033 623 HD12 LEU 79 HD12 LEU 79 54.172 18.665 26.148 624 HD13 LEU 79 HD13 LEU 79 53.669 19.265 24.568 625 HD21 LEU 79 HD21 LEU 79 54.620 20.629 27.769 626 HD22 LEU 79 HD22 LEU 79 54.168 22.120 26.941 627 HD23 LEU 79 HD23 LEU 79 55.868 21.747 27.219 628 H PHE 80 H PHE 80 54.908 20.393 22.280 629 HA PHE 80 HA PHE 80 56.532 22.644 21.347 630 HB2 PHE 80 HB2 PHE 80 53.765 21.717 20.545 631 HB3 PHE 80 HB3 PHE 80 54.676 22.986 19.760 632 HD1 PHE 80 HD1 PHE 80 53.834 19.548 19.754 633 HD2 PHE 80 HD2 PHE 80 57.014 22.261 18.762 634 HE1 PHE 80 HE1 PHE 80 54.786 17.863 18.209 635 HE2 PHE 80 HE2 PHE 80 57.965 20.573 17.212 636 HZ PHE 80 HZ PHE 80 56.844 18.378 16.928 637 H VAL 81 H VAL 81 56.339 24.600 22.327 638 HA VAL 81 HA VAL 81 53.781 25.257 23.672 639 HB VAL 81 HB VAL 81 55.045 26.738 25.135 640 HG11 VAL 81 HG11 VAL 81 56.164 23.930 24.924 641 HG12 VAL 81 HG12 VAL 81 54.753 24.437 25.855 642 HG13 VAL 81 HG13 VAL 81 56.363 24.980 26.327 643 HG21 VAL 81 HG21 VAL 81 56.909 27.564 24.054 644 HG22 VAL 81 HG22 VAL 81 57.264 26.033 23.260 645 HG23 VAL 81 HG23 VAL 81 57.681 26.262 24.956 646 HA PRO 82 HA PRO 82 53.372 28.378 20.643 647 HB2 PRO 82 HB2 PRO 82 51.578 30.065 21.751 648 HB3 PRO 82 HB3 PRO 82 51.152 28.408 21.276 649 HG2 PRO 82 HG2 PRO 82 51.694 29.521 23.970 650 HG3 PRO 82 HG3 PRO 82 50.541 28.272 23.469 651 HD2 PRO 82 HD2 PRO 82 53.023 27.777 24.643 652 HD3 PRO 82 HD3 PRO 82 52.067 26.594 23.727 653 H SER 83 H SER 83 54.532 29.394 23.786 654 HA SER 83 HA SER 83 55.643 31.840 22.596 655 HB2 SER 83 HB2 SER 83 54.700 33.299 24.201 656 HB3 SER 83 HB3 SER 83 53.362 32.287 23.669 657 HG SER 83 HG SER 83 54.241 32.578 26.081 658 HA PRO 84 HA PRO 84 59.195 31.060 25.147 659 HB2 PRO 84 HB2 PRO 84 59.023 33.837 26.213 660 HB3 PRO 84 HB3 PRO 84 60.379 33.013 25.418 661 HG2 PRO 84 HG2 PRO 84 58.948 34.870 24.163 662 HG3 PRO 84 HG3 PRO 84 59.593 33.454 23.312 663 HD2 PRO 84 HD2 PRO 84 56.783 34.014 24.162 664 HD3 PRO 84 HD3 PRO 84 57.380 33.132 22.740 665 H ARG 85 H ARG 85 56.657 33.001 26.746 666 HA ARG 85 HA ARG 85 57.361 32.455 29.397 667 HB2 ARG 85 HB2 ARG 85 55.699 34.162 28.688 668 HB3 ARG 85 HB3 ARG 85 54.574 32.867 28.288 669 HG2 ARG 85 HG2 ARG 85 53.948 33.558 30.467 670 HG3 ARG 85 HG3 ARG 85 54.875 32.083 30.724 671 HD2 ARG 85 HD2 ARG 85 56.897 33.460 31.172 672 HD3 ARG 85 HD3 ARG 85 55.925 34.915 30.977 673 HE ARG 85 HE ARG 85 56.052 33.252 33.293 674 HH11 ARG 85 HH11 ARG 85 53.813 35.240 31.461 675 HH12 ARG 85 HH12 ARG 85 52.807 35.552 32.836 676 HH21 ARG 85 HH21 ARG 85 54.720 33.688 35.027 677 HH22 ARG 85 HH22 ARG 85 53.315 34.684 34.830 678 H VAL 86 H VAL 86 55.067 30.725 27.272 679 HA VAL 86 HA VAL 86 54.327 28.742 29.122 680 HB VAL 86 HB VAL 86 54.525 28.524 26.106 681 HG11 VAL 86 HG11 VAL 86 52.662 26.836 26.484 682 HG12 VAL 86 HG12 VAL 86 53.062 26.895 28.201 683 HG13 VAL 86 HG13 VAL 86 54.256 26.321 27.036 684 HG21 VAL 86 HG21 VAL 86 52.128 29.217 27.824 685 HG22 VAL 86 HG22 VAL 86 52.236 29.272 26.065 686 HG23 VAL 86 HG23 VAL 86 53.138 30.431 27.040 687 H ALA 87 H ALA 87 57.019 28.891 26.817 688 HA ALA 87 HA ALA 87 57.978 26.279 27.107 689 HB1 ALA 87 HB1 ALA 87 59.902 28.551 26.817 690 HB2 ALA 87 HB2 ALA 87 58.706 28.287 25.546 691 HB3 ALA 87 HB3 ALA 87 59.849 27.009 25.962 692 H GLU 88 H GLU 88 58.660 29.203 28.993 693 HA GLU 88 HA GLU 88 60.660 28.117 30.650 694 HB2 GLU 88 HB2 GLU 88 58.650 30.310 31.212 695 HB3 GLU 88 HB3 GLU 88 60.049 29.951 32.225 696 HG2 GLU 88 HG2 GLU 88 61.531 30.326 30.265 697 HG3 GLU 88 HG3 GLU 88 60.124 30.764 29.307 698 H MET 89 H MET 89 57.128 28.224 31.015 699 HA MET 89 HA MET 89 56.956 27.088 33.574 700 HB2 MET 89 HB2 MET 89 55.067 26.824 31.222 701 HB3 MET 89 HB3 MET 89 54.673 26.381 32.884 702 HG2 MET 89 HG2 MET 89 55.223 28.737 33.570 703 HG3 MET 89 HG3 MET 89 55.398 29.141 31.862 704 HE1 MET 89 HE1 MET 89 52.804 26.759 33.797 705 HE2 MET 89 HE2 MET 89 51.628 28.012 34.187 706 HE3 MET 89 HE3 MET 89 53.287 28.159 34.762 707 H ALA 90 H ALA 90 57.147 25.562 30.383 708 HA ALA 90 HA ALA 90 56.790 22.896 31.199 709 HB1 ALA 90 HB1 ALA 90 57.829 22.286 29.083 710 HB2 ALA 90 HB2 ALA 90 58.497 23.909 28.912 711 HB3 ALA 90 HB3 ALA 90 56.753 23.660 28.835 712 H ARG 91 H ARG 91 59.724 24.875 30.940 713 HA ARG 91 HA ARG 91 61.579 22.863 31.598 714 HB2 ARG 91 HB2 ARG 91 61.676 25.848 32.099 715 HB3 ARG 91 HB3 ARG 91 63.045 24.764 32.319 716 HG2 ARG 91 HG2 ARG 91 61.544 25.027 29.704 717 HG3 ARG 91 HG3 ARG 91 62.984 25.966 30.090 718 HD2 ARG 91 HD2 ARG 91 64.198 23.798 30.499 719 HD3 ARG 91 HD3 ARG 91 62.779 22.949 29.896 720 HE ARG 91 HE ARG 91 63.483 23.456 27.773 721 HH11 ARG 91 HH11 ARG 91 64.919 25.816 29.939 722 HH12 ARG 91 HH12 ARG 91 65.808 26.588 28.668 723 HH21 ARG 91 HH21 ARG 91 64.655 24.487 26.181 724 HH22 ARG 91 HH22 ARG 91 65.661 25.843 26.568 725 H GLU 92 H GLU 92 59.745 25.098 33.663 726 HA GLU 92 HA GLU 92 61.021 24.475 36.088 727 HB2 GLU 92 HB2 GLU 92 58.180 25.376 35.569 728 HB3 GLU 92 HB3 GLU 92 58.941 25.335 37.160 729 HG2 GLU 92 HG2 GLU 92 59.960 26.907 34.777 730 HG3 GLU 92 HG3 GLU 92 59.072 27.589 36.134 731 H LEU 93 H LEU 93 58.298 22.915 34.446 732 HA LEU 93 HA LEU 93 57.670 21.090 36.518 733 HB2 LEU 93 HB2 LEU 93 57.324 20.715 33.538 734 HB3 LEU 93 HB3 LEU 93 56.541 19.766 34.795 735 HG LEU 93 HG LEU 93 56.165 22.738 34.304 736 HD11 LEU 93 HD11 LEU 93 53.795 21.907 33.848 737 HD12 LEU 93 HD12 LEU 93 54.468 20.276 33.839 738 HD13 LEU 93 HD13 LEU 93 55.001 21.458 32.641 739 HD21 LEU 93 HD21 LEU 93 54.281 22.389 36.002 740 HD22 LEU 93 HD22 LEU 93 55.915 22.381 36.667 741 HD23 LEU 93 HD23 LEU 93 55.058 20.859 36.412 742 H GLY 94 H GLY 94 60.331 21.122 34.278 743 HA2 GLY 94 HA2 GLY 94 62.192 19.642 34.620 744 HA3 GLY 94 HA3 GLY 94 61.071 18.405 35.157 745 H ALA 95 H ALA 95 60.031 20.108 32.309 746 HA ALA 95 HA ALA 95 59.901 17.754 30.777 747 HB1 ALA 95 HB1 ALA 95 59.761 19.488 28.828 748 HB2 ALA 95 HB2 ALA 95 59.736 20.682 30.127 749 HB3 ALA 95 HB3 ALA 95 58.477 19.449 30.037 750 H GLN 96 H GLN 96 61.384 16.678 29.635 751 HA GLN 96 HA GLN 96 64.124 17.450 29.985 752 HB2 GLN 96 HB2 GLN 96 62.900 15.104 28.521 753 HB3 GLN 96 HB3 GLN 96 64.622 15.304 28.860 754 HG2 GLN 96 HG2 GLN 96 64.045 15.508 31.301 755 HG3 GLN 96 HG3 GLN 96 62.385 15.092 30.893 756 HE21 GLN 96 HE21 GLN 96 62.159 12.974 31.698 757 HE22 GLN 96 HE22 GLN 96 63.216 11.701 31.346 758 H ARG 97 H ARG 97 61.853 17.457 27.284 759 HA ARG 97 HA ARG 97 63.846 19.024 25.760 760 HB2 ARG 97 HB2 ARG 97 63.668 16.715 24.839 761 HB3 ARG 97 HB3 ARG 97 61.945 16.981 24.580 762 HG2 ARG 97 HG2 ARG 97 62.942 17.462 22.487 763 HG3 ARG 97 HG3 ARG 97 62.648 19.044 23.202 764 HD2 ARG 97 HD2 ARG 97 65.000 19.085 24.017 765 HD3 ARG 97 HD3 ARG 97 65.277 17.536 23.227 766 HE ARG 97 HE ARG 97 65.274 18.623 21.160 767 HH11 ARG 97 HH11 ARG 97 64.306 20.882 23.668 768 HH12 ARG 97 HH12 ARG 97 64.450 22.257 22.624 769 HH21 ARG 97 HH21 ARG 97 65.442 20.431 19.865 770 HH22 ARG 97 HH22 ARG 97 65.086 22.003 20.499 771 H VAL 98 H VAL 98 63.067 21.030 25.610 772 HA VAL 98 HA VAL 98 60.149 21.398 25.220 773 HB VAL 98 HB VAL 98 62.129 23.370 26.385 774 HG11 VAL 98 HG11 VAL 98 60.182 24.382 25.248 775 HG12 VAL 98 HG12 VAL 98 60.097 24.620 26.993 776 HG13 VAL 98 HG13 VAL 98 59.100 23.386 26.222 777 HG21 VAL 98 HG21 VAL 98 61.170 22.857 28.549 778 HG22 VAL 98 HG22 VAL 98 61.666 21.329 27.822 779 HG23 VAL 98 HG23 VAL 98 59.967 21.795 27.819 780 H ILE 99 H ILE 99 59.482 22.370 23.411 781 HA ILE 99 HA ILE 99 61.505 23.593 21.630 782 HB ILE 99 HB ILE 99 59.041 21.977 20.920 783 HG12 ILE 99 HG12 ILE 99 61.966 21.353 20.437 784 HG13 ILE 99 HG13 ILE 99 61.061 20.740 21.819 785 HG21 ILE 99 HG21 ILE 99 60.368 22.175 18.584 786 HG22 ILE 99 HG22 ILE 99 60.869 23.699 19.312 787 HG23 ILE 99 HG23 ILE 99 59.156 23.351 19.088 788 HD11 ILE 99 HD11 ILE 99 59.457 19.650 20.300 789 HD12 ILE 99 HD12 ILE 99 61.100 19.092 19.976 790 HD13 ILE 99 HD13 ILE 99 60.344 20.275 18.909 791 H ASP 100 H ASP 100 61.170 25.690 21.226 792 HA ASP 100 HA ASP 100 58.533 26.869 21.737 793 HB2 ASP 100 HB2 ASP 100 60.585 27.980 22.615 794 HB3 ASP 100 HB3 ASP 100 61.131 28.216 20.956 795 H CYS 101 H CYS 101 57.112 27.024 20.110 796 HA CYS 101 HA CYS 101 58.088 26.785 17.359 797 HB2 CYS 101 HB2 CYS 101 55.783 26.326 16.760 798 HB3 CYS 101 HB3 CYS 101 56.265 25.309 18.116 799 HG CYS 101 HG CYS 101 54.554 27.901 18.521 800 H ARG 102 H ARG 102 57.284 29.341 19.424 801 HA ARG 102 HA ARG 102 55.770 31.058 17.825 802 HB2 ARG 102 HB2 ARG 102 56.385 31.472 20.208 803 HB3 ARG 102 HB3 ARG 102 58.022 31.864 19.680 804 HG2 ARG 102 HG2 ARG 102 57.173 33.693 18.294 805 HG3 ARG 102 HG3 ARG 102 55.514 33.280 18.729 806 HD2 ARG 102 HD2 ARG 102 56.189 35.116 20.135 807 HD3 ARG 102 HD3 ARG 102 56.132 33.671 21.139 808 HE ARG 102 HE ARG 102 58.712 33.703 20.364 809 HH11 ARG 102 HH11 ARG 102 56.699 36.251 21.699 810 HH12 ARG 102 HH12 ARG 102 58.042 37.061 22.436 811 HH21 ARG 102 HH21 ARG 102 60.399 34.790 21.335 812 HH22 ARG 102 HH22 ARG 102 60.109 36.243 22.232 813 H GLY 103 H GLY 103 59.263 30.457 17.837 814 HA2 GLY 103 HA2 GLY 103 59.619 32.325 15.601 815 HA3 GLY 103 HA3 GLY 103 60.906 31.557 16.524 816 H ALA 104 H ALA 104 59.818 28.875 16.359 817 HA ALA 104 HA ALA 104 60.861 28.132 13.782 818 HB1 ALA 104 HB1 ALA 104 61.385 26.536 15.375 819 HB2 ALA 104 HB2 ALA 104 59.955 25.811 14.644 820 HB3 ALA 104 HB3 ALA 104 59.820 26.671 16.177 821 H SER 105 H SER 105 59.772 27.305 12.030 822 HA SER 105 HA SER 105 56.931 27.957 11.879 823 HB2 SER 105 HB2 SER 105 58.882 27.001 9.770 824 HB3 SER 105 HB3 SER 105 57.206 27.447 9.468 825 HG SER 105 HG SER 105 59.358 29.010 9.924 826 H ALA 106 H ALA 106 55.437 26.397 10.837 827 HA ALA 106 HA ALA 106 55.139 24.048 12.216 828 HB1 ALA 106 HB1 ALA 106 54.196 24.777 9.448 829 HB2 ALA 106 HB2 ALA 106 53.304 24.885 10.966 830 HB3 ALA 106 HB3 ALA 106 53.693 23.306 10.283 831 HA PRO 107 HA PRO 107 57.170 21.407 8.728 832 HB2 PRO 107 HB2 PRO 107 59.158 22.740 7.278 833 HB3 PRO 107 HB3 PRO 107 57.544 22.318 6.683 834 HG2 PRO 107 HG2 PRO 107 58.571 24.899 7.686 835 HG3 PRO 107 HG3 PRO 107 57.356 24.565 6.440 836 HD2 PRO 107 HD2 PRO 107 56.698 25.442 8.905 837 HD3 PRO 107 HD3 PRO 107 55.632 24.377 7.970 838 H ALA 108 H ALA 108 59.007 24.044 10.210 839 HA ALA 108 HA ALA 108 61.399 22.646 10.722 840 HB1 ALA 108 HB1 ALA 108 61.891 24.355 12.306 841 HB2 ALA 108 HB2 ALA 108 60.183 24.705 12.568 842 HB3 ALA 108 HB3 ALA 108 60.946 25.139 11.039 843 H LEU 109 H LEU 109 58.401 22.934 12.603 844 HA LEU 109 HA LEU 109 59.194 21.461 14.854 845 HB2 LEU 109 HB2 LEU 109 56.435 21.579 13.611 846 HB3 LEU 109 HB3 LEU 109 56.812 21.125 15.273 847 HG LEU 109 HG LEU 109 57.403 23.828 14.028 848 HD11 LEU 109 HD11 LEU 109 55.397 23.206 16.197 849 HD12 LEU 109 HD12 LEU 109 54.954 23.175 14.490 850 HD13 LEU 109 HD13 LEU 109 55.536 24.670 15.223 851 HD21 LEU 109 HD21 LEU 109 57.736 24.403 16.512 852 HD22 LEU 109 HD22 LEU 109 59.006 23.444 15.753 853 HD23 LEU 109 HD23 LEU 109 57.814 22.663 16.790 854 H LEU 110 H LEU 110 57.835 20.401 11.757 855 HA LEU 110 HA LEU 110 57.468 17.681 12.319 856 HB2 LEU 110 HB2 LEU 110 56.734 18.816 10.232 857 HB3 LEU 110 HB3 LEU 110 58.416 18.907 9.715 858 HG LEU 110 HG LEU 110 58.508 16.374 9.966 859 HD11 LEU 110 HD11 LEU 110 56.609 15.967 11.369 860 HD12 LEU 110 HD12 LEU 110 56.202 15.302 9.787 861 HD13 LEU 110 HD13 LEU 110 55.541 16.858 10.286 862 HD21 LEU 110 HD21 LEU 110 57.279 15.998 7.818 863 HD22 LEU 110 HD22 LEU 110 58.332 17.411 7.767 864 HD23 LEU 110 HD23 LEU 110 56.592 17.615 7.969 865 H ALA 111 H ALA 111 60.324 19.407 11.135 866 HA ALA 111 HA ALA 111 62.040 17.190 10.896 867 HB1 ALA 111 HB1 ALA 111 62.657 19.312 9.922 868 HB2 ALA 111 HB2 ALA 111 63.876 18.882 11.121 869 HB3 ALA 111 HB3 ALA 111 62.651 20.090 11.505 870 H ALA 112 H ALA 112 61.307 19.279 13.658 871 HA ALA 112 HA ALA 112 63.296 18.339 15.403 872 HB1 ALA 112 HB1 ALA 112 61.895 20.358 15.803 873 HB2 ALA 112 HB2 ALA 112 61.941 19.272 17.191 874 HB3 ALA 112 HB3 ALA 112 60.523 19.303 16.143 875 H LEU 113 H LEU 113 59.994 17.170 14.818 876 HA LEU 113 HA LEU 113 59.892 15.247 16.864 877 HB2 LEU 113 HB2 LEU 113 58.496 15.653 14.255 878 HB3 LEU 113 HB3 LEU 113 58.351 14.067 15.006 879 HG LEU 113 HG LEU 113 57.888 16.533 16.662 880 HD11 LEU 113 HD11 LEU 113 55.412 16.185 16.052 881 HD12 LEU 113 HD12 LEU 113 56.002 15.283 14.656 882 HD13 LEU 113 HD13 LEU 113 56.418 16.987 14.846 883 HD21 LEU 113 HD21 LEU 113 57.850 14.604 17.988 884 HD22 LEU 113 HD22 LEU 113 57.153 13.616 16.704 885 HD23 LEU 113 HD23 LEU 113 56.145 14.775 17.570 886 H THR 114 H THR 114 60.922 14.936 13.480 887 HA THR 114 HA THR 114 61.442 12.160 13.613 888 HB THR 114 HB THR 114 62.716 12.516 11.517 889 HG1 THR 114 HG1 THR 114 62.119 15.204 11.861 890 HG21 THR 114 HG21 THR 114 59.993 13.697 11.968 891 HG22 THR 114 HG22 THR 114 60.452 12.252 11.069 892 HG23 THR 114 HG23 THR 114 60.740 13.848 10.377 893 H SER 115 H SER 115 63.560 14.965 14.129 894 HA SER 115 HA SER 115 65.973 13.522 14.380 895 HB2 SER 115 HB2 SER 115 65.222 16.135 15.709 896 HB3 SER 115 HB3 SER 115 66.852 15.524 15.446 897 HG SER 115 HG SER 115 66.680 16.213 13.484 898 H ALA 116 H ALA 116 63.568 14.509 16.800 899 HA ALA 116 HA ALA 116 64.976 13.694 19.085 900 HB1 ALA 116 HB1 ALA 116 61.975 13.685 18.698 901 HB2 ALA 116 HB2 ALA 116 62.925 15.122 19.079 902 HB3 ALA 116 HB3 ALA 116 62.843 13.788 20.229 903 H ALA 117 H ALA 117 62.784 11.904 16.949 904 HA ALA 117 HA ALA 117 62.587 9.541 18.436 905 HB1 ALA 117 HB1 ALA 117 62.755 9.518 15.436 906 HB2 ALA 117 HB2 ALA 117 61.381 10.264 16.251 907 HB3 ALA 117 HB3 ALA 117 61.730 8.553 16.499 908 H LEU 118 H LEU 118 65.119 10.665 16.243 909 HA LEU 118 HA LEU 118 66.541 8.262 15.943 910 HB2 LEU 118 HB2 LEU 118 67.636 11.083 16.082 911 HB3 LEU 118 HB3 LEU 118 68.482 9.682 15.425 912 HG LEU 118 HG LEU 118 65.837 10.734 14.379 913 HD11 LEU 118 HD11 LEU 118 67.101 11.639 12.522 914 HD12 LEU 118 HD12 LEU 118 68.598 10.943 13.144 915 HD13 LEU 118 HD13 LEU 118 67.811 12.260 14.012 916 HD21 LEU 118 HD21 LEU 118 66.003 8.412 13.871 917 HD22 LEU 118 HD22 LEU 118 67.731 8.532 13.534 918 HD23 LEU 118 HD23 LEU 118 66.562 9.236 12.415 919 H GLU 119 H GLU 119 66.621 10.681 18.526 920 HA GLU 119 HA GLU 119 68.632 9.083 19.965 921 HB2 GLU 119 HB2 GLU 119 68.953 11.558 19.687 922 HB3 GLU 119 HB3 GLU 119 67.512 11.804 20.674 923 HG2 GLU 119 HG2 GLU 119 68.583 10.507 22.508 924 HG3 GLU 119 HG3 GLU 119 70.036 10.360 21.529 925 H HIS 120 H HIS 120 68.082 7.846 21.661 926 HA HIS 120 HA HIS 120 65.260 7.778 22.436 927 HB2 HIS 120 HB2 HIS 120 67.554 5.912 23.036 928 HB3 HIS 120 HB3 HIS 120 65.905 5.671 23.582 929 HD1 HIS 120 HD1 HIS 120 68.100 5.445 20.569 930 HD2 HIS 120 HD2 HIS 120 64.085 4.852 21.525 931 HE1 HIS 120 HE1 HIS 120 67.067 4.238 18.599 932 H HIS 121 H HIS 121 68.441 8.406 23.840 933 HA HIS 121 HA HIS 121 67.100 9.179 26.372 934 HB2 HIS 121 HB2 HIS 121 69.848 7.987 26.004 935 HB3 HIS 121 HB3 HIS 121 69.184 8.555 27.523 936 HD1 HIS 121 HD1 HIS 121 66.828 7.247 28.205 937 HD2 HIS 121 HD2 HIS 121 69.404 5.315 25.557 938 HE1 HIS 121 HE1 HIS 121 66.180 4.799 28.235 939 H HIS 122 H HIS 122 67.401 11.191 27.033 940 HA HIS 122 HA HIS 122 68.707 13.139 25.474 941 HB2 HIS 122 HB2 HIS 122 66.863 13.621 27.028 942 HB3 HIS 122 HB3 HIS 122 67.913 13.255 28.383 943 HD1 HIS 122 HD1 HIS 122 69.585 15.057 29.109 944 HD2 HIS 122 HD2 HIS 122 67.436 16.102 25.692 945 HE1 HIS 122 HE1 HIS 122 70.055 17.508 28.690 946 H HIS 123 H HIS 123 69.845 11.170 28.154 947 HA HIS 123 HA HIS 123 71.966 12.667 29.107 948 HB2 HIS 123 HB2 HIS 123 71.780 9.678 28.747 949 HB3 HIS 123 HB3 HIS 123 72.999 10.489 29.711 950 HD1 HIS 123 HD1 HIS 123 69.396 9.503 29.692 951 HD2 HIS 123 HD2 HIS 123 72.031 11.549 32.192 952 HE1 HIS 123 HE1 HIS 123 68.223 9.745 31.922 953 H HIS 124 H HIS 124 71.873 10.586 26.232 954 HA HIS 124 HA HIS 124 74.599 10.538 25.634 955 HB2 HIS 124 HB2 HIS 124 72.210 10.561 23.793 956 HB3 HIS 124 HB3 HIS 124 73.853 10.274 23.251 957 HD1 HIS 124 HD1 HIS 124 75.014 8.221 24.917 958 HD2 HIS 124 HD2 HIS 124 70.918 8.179 24.143 959 HE1 HIS 124 HE1 HIS 124 74.231 5.851 25.337 960 H HIS 125 H HIS 125 72.147 12.969 24.850 961 HA HIS 125 HA HIS 125 74.328 14.856 24.203 962 HB2 HIS 125 HB2 HIS 125 71.710 14.611 22.716 963 HB3 HIS 125 HB3 HIS 125 72.962 15.801 22.414 964 HD1 HIS 125 HD1 HIS 125 75.379 14.667 21.689 965 HD2 HIS 125 HD2 HIS 125 71.952 12.346 21.175 966 HE1 HIS 125 HE1 HIS 125 75.996 12.830 20.060 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 58.655 7.302 9.317 2 H2 MET 1 HT2 MET 1 57.169 7.166 10.129 3 H3 MET 1 HT3 MET 1 58.011 8.641 10.139 4 HA MET 1 HA MET 1 57.765 8.662 7.647 5 HB2 MET 1 HB2 MET 1 55.754 6.515 8.387 6 HB3 MET 1 HB3 MET 1 55.865 7.295 6.809 7 HG2 MET 1 HG2 MET 1 58.253 6.512 6.669 8 HG3 MET 1 HG3 MET 1 57.982 5.591 8.148 9 HE1 MET 1 HE1 MET 1 56.206 4.942 3.986 10 HE2 MET 1 HE2 MET 1 57.341 6.177 4.527 11 HE3 MET 1 HE3 MET 1 55.639 6.299 4.969 12 H ASP 2 H ASP 2 55.131 7.938 9.951 13 HA ASP 2 HA ASP 2 54.134 10.702 9.575 14 HB2 ASP 2 HB2 ASP 2 52.475 8.190 9.884 15 HB3 ASP 2 HB3 ASP 2 51.850 9.833 9.754 16 HA PRO 3 HA PRO 3 55.168 9.863 14.042 17 HB2 PRO 3 HB2 PRO 3 55.430 12.572 14.658 18 HB3 PRO 3 HB3 PRO 3 56.757 11.494 14.189 19 HG2 PRO 3 HG2 PRO 3 55.245 13.448 12.548 20 HG3 PRO 3 HG3 PRO 3 56.966 13.021 12.510 21 HD2 PRO 3 HD2 PRO 3 55.261 12.101 10.641 22 HD3 PRO 3 HD3 PRO 3 56.614 11.108 11.229 23 H LYS 4 H LYS 4 53.926 10.291 15.951 24 HA LYS 4 HA LYS 4 51.201 11.302 15.383 25 HB2 LYS 4 HB2 LYS 4 52.178 9.339 17.473 26 HB3 LYS 4 HB3 LYS 4 50.511 9.881 17.291 27 HG2 LYS 4 HG2 LYS 4 50.517 8.997 14.959 28 HG3 LYS 4 HG3 LYS 4 52.140 8.367 15.231 29 HD2 LYS 4 HD2 LYS 4 51.255 7.043 17.156 30 HD3 LYS 4 HD3 LYS 4 49.631 7.597 16.747 31 HE2 LYS 4 HE2 LYS 4 49.981 6.638 14.436 32 HE3 LYS 4 HE3 LYS 4 51.474 5.914 15.033 33 HZ1 LYS 4 HZ1 LYS 4 49.931 5.021 16.891 34 HZ2 LYS 4 HZ2 LYS 4 49.958 4.244 15.381 35 HZ3 LYS 4 HZ3 LYS 4 48.692 5.309 15.768 36 H VAL 5 H VAL 5 50.372 12.956 16.596 37 HA VAL 5 HA VAL 5 51.776 13.683 19.092 38 HB VAL 5 HB VAL 5 51.355 16.095 18.551 39 HG11 VAL 5 HG11 VAL 5 53.271 14.335 17.061 40 HG12 VAL 5 HG12 VAL 5 53.589 15.489 18.357 41 HG13 VAL 5 HG13 VAL 5 53.248 16.067 16.726 42 HG21 VAL 5 HG21 VAL 5 50.768 14.906 15.824 43 HG22 VAL 5 HG22 VAL 5 51.159 16.606 16.084 44 HG23 VAL 5 HG23 VAL 5 49.702 15.917 16.801 45 H LEU 6 H LEU 6 50.582 14.436 20.730 46 HA LEU 6 HA LEU 6 47.654 14.179 20.453 47 HB2 LEU 6 HB2 LEU 6 48.823 12.754 22.146 48 HB3 LEU 6 HB3 LEU 6 49.319 14.226 22.980 49 HG LEU 6 HG LEU 6 46.811 14.835 23.010 50 HD11 LEU 6 HD11 LEU 6 45.482 12.562 23.109 51 HD12 LEU 6 HD12 LEU 6 46.780 11.983 22.066 52 HD13 LEU 6 HD13 LEU 6 45.774 13.337 21.552 53 HD21 LEU 6 HD21 LEU 6 47.809 14.278 25.080 54 HD22 LEU 6 HD22 LEU 6 48.089 12.607 24.595 55 HD23 LEU 6 HD23 LEU 6 46.453 13.158 24.957 56 H ILE 7 H ILE 7 46.316 15.872 20.881 57 HA ILE 7 HA ILE 7 47.611 18.481 21.310 58 HB ILE 7 HB ILE 7 44.791 17.915 20.365 59 HG12 ILE 7 HG12 ILE 7 47.147 18.777 18.672 60 HG13 ILE 7 HG13 ILE 7 46.665 17.088 18.824 61 HG21 ILE 7 HG21 ILE 7 45.164 20.147 21.373 62 HG22 ILE 7 HG22 ILE 7 44.870 20.267 19.638 63 HG23 ILE 7 HG23 ILE 7 46.511 20.414 20.267 64 HD11 ILE 7 HD11 ILE 7 44.672 17.403 17.690 65 HD12 ILE 7 HD12 ILE 7 45.691 18.586 16.872 66 HD13 ILE 7 HD13 ILE 7 44.563 19.109 18.118 67 H MET 8 H MET 8 47.337 19.590 23.104 68 HA MET 8 HA MET 8 45.299 18.836 25.065 69 HB2 MET 8 HB2 MET 8 47.575 20.841 25.116 70 HB3 MET 8 HB3 MET 8 46.464 20.587 26.455 71 HG2 MET 8 HG2 MET 8 48.228 18.450 25.222 72 HG3 MET 8 HG3 MET 8 48.575 19.296 26.725 73 HE1 MET 8 HE1 MET 8 45.804 18.138 29.135 74 HE2 MET 8 HE2 MET 8 45.982 19.637 28.234 75 HE3 MET 8 HE3 MET 8 47.388 18.893 28.984 76 H ARG 9 H ARG 9 43.493 20.063 25.451 77 HA ARG 9 HA ARG 9 42.505 21.698 23.402 78 HB2 ARG 9 HB2 ARG 9 41.109 20.516 25.099 79 HB3 ARG 9 HB3 ARG 9 41.632 21.697 26.299 80 HG2 ARG 9 HG2 ARG 9 40.727 23.513 24.823 81 HG3 ARG 9 HG3 ARG 9 40.075 22.263 23.763 82 HD2 ARG 9 HD2 ARG 9 39.399 22.609 26.697 83 HD3 ARG 9 HD3 ARG 9 38.362 23.058 25.348 84 HE ARG 9 HE ARG 9 39.010 20.367 25.011 85 HH11 ARG 9 HH11 ARG 9 37.280 22.301 27.377 86 HH12 ARG 9 HH12 ARG 9 36.226 20.999 27.818 87 HH21 ARG 9 HH21 ARG 9 37.623 18.732 25.618 88 HH22 ARG 9 HH22 ARG 9 36.420 19.004 26.834 89 H GLY 10 H GLY 10 42.391 23.879 23.093 90 HA2 GLY 10 HA2 GLY 10 43.575 25.693 25.062 91 HA3 GLY 10 HA3 GLY 10 44.366 25.588 23.492 92 H GLU 11 H GLU 11 43.538 28.010 24.076 93 HA GLU 11 HA GLU 11 40.871 28.719 23.607 94 HB2 GLU 11 HB2 GLU 11 43.402 30.264 23.011 95 HB3 GLU 11 HB3 GLU 11 41.779 30.956 23.037 96 HG2 GLU 11 HG2 GLU 11 43.121 29.562 25.370 97 HG3 GLU 11 HG3 GLU 11 42.961 31.304 25.188 98 H GLY 12 H GLY 12 43.466 27.992 21.330 99 HA2 GLY 12 HA2 GLY 12 42.187 29.061 19.018 100 HA3 GLY 12 HA3 GLY 12 43.508 27.896 19.025 101 H GLY 13 H GLY 13 41.722 27.503 17.108 102 HA2 GLY 13 HA2 GLY 13 39.549 25.783 17.984 103 HA3 GLY 13 HA3 GLY 13 39.923 26.234 16.325 104 H ARG 14 H ARG 14 39.568 23.621 18.051 105 HA ARG 14 HA ARG 14 41.928 22.118 17.956 106 HB2 ARG 14 HB2 ARG 14 39.079 21.158 17.557 107 HB3 ARG 14 HB3 ARG 14 40.455 20.148 17.997 108 HG2 ARG 14 HG2 ARG 14 40.752 21.484 20.067 109 HG3 ARG 14 HG3 ARG 14 39.325 22.432 19.641 110 HD2 ARG 14 HD2 ARG 14 38.047 20.236 19.541 111 HD3 ARG 14 HD3 ARG 14 39.458 19.477 20.271 112 HE ARG 14 HE ARG 14 38.869 21.614 21.908 113 HH11 ARG 14 HH11 ARG 14 37.128 18.757 20.840 114 HH12 ARG 14 HH12 ARG 14 36.119 18.724 22.246 115 HH21 ARG 14 HH21 ARG 14 37.527 21.528 23.687 116 HH22 ARG 14 HH22 ARG 14 36.344 20.272 23.839 117 H GLU 15 H GLU 15 39.394 22.602 15.524 118 HA GLU 15 HA GLU 15 40.301 20.681 13.675 119 HB2 GLU 15 HB2 GLU 15 38.048 21.763 13.654 120 HB3 GLU 15 HB3 GLU 15 38.808 23.238 13.059 121 HG2 GLU 15 HG2 GLU 15 39.708 21.956 11.123 122 HG3 GLU 15 HG3 GLU 15 38.852 20.532 11.697 123 H PHE 16 H PHE 16 41.058 24.140 14.016 124 HA PHE 16 HA PHE 16 42.423 24.421 11.568 125 HB2 PHE 16 HB2 PHE 16 42.662 25.916 14.173 126 HB3 PHE 16 HB3 PHE 16 43.526 26.380 12.719 127 HD1 PHE 16 HD1 PHE 16 40.283 26.261 14.413 128 HD2 PHE 16 HD2 PHE 16 42.308 27.252 10.757 129 HE1 PHE 16 HE1 PHE 16 38.295 27.537 13.658 130 HE2 PHE 16 HE2 PHE 16 40.320 28.528 10.002 131 HZ PHE 16 HZ PHE 16 38.313 28.670 11.452 132 H LEU 17 H LEU 17 43.770 23.930 14.852 133 HA LEU 17 HA LEU 17 46.459 23.841 14.022 134 HB2 LEU 17 HB2 LEU 17 45.196 22.480 16.415 135 HB3 LEU 17 HB3 LEU 17 46.914 22.817 16.203 136 HG LEU 17 HG LEU 17 44.740 24.931 16.269 137 HD11 LEU 17 HD11 LEU 17 45.783 25.501 18.482 138 HD12 LEU 17 HD12 LEU 17 46.739 24.023 18.362 139 HD13 LEU 17 HD13 LEU 17 44.982 23.930 18.471 140 HD21 LEU 17 HD21 LEU 17 46.833 26.392 16.629 141 HD22 LEU 17 HD22 LEU 17 46.571 25.769 14.999 142 HD23 LEU 17 HD23 LEU 17 47.756 25.003 16.056 143 H ALA 18 H ALA 18 44.096 21.224 14.476 144 HA ALA 18 HA ALA 18 45.888 19.099 14.034 145 HB1 ALA 18 HB1 ALA 18 42.904 19.399 13.847 146 HB2 ALA 18 HB2 ALA 18 43.855 18.440 14.981 147 HB3 ALA 18 HB3 ALA 18 43.675 17.908 13.309 148 H GLU 19 H GLU 19 43.880 20.969 11.780 149 HA GLU 19 HA GLU 19 44.311 19.384 9.506 150 HB2 GLU 19 HB2 GLU 19 42.628 21.230 9.698 151 HB3 GLU 19 HB3 GLU 19 43.952 22.389 9.571 152 HG2 GLU 19 HG2 GLU 19 44.595 21.368 7.393 153 HG3 GLU 19 HG3 GLU 19 43.206 20.297 7.509 154 H ARG 20 H ARG 20 46.176 22.090 10.854 155 HA ARG 20 HA ARG 20 47.978 22.383 8.719 156 HB2 ARG 20 HB2 ARG 20 47.684 23.964 10.641 157 HB3 ARG 20 HB3 ARG 20 48.584 22.828 11.647 158 HG2 ARG 20 HG2 ARG 20 50.507 22.991 10.096 159 HG3 ARG 20 HG3 ARG 20 49.613 24.160 9.123 160 HD2 ARG 20 HD2 ARG 20 49.422 25.620 11.147 161 HD3 ARG 20 HD3 ARG 20 50.452 24.487 12.015 162 HE ARG 20 HE ARG 20 51.956 25.059 9.853 163 HH11 ARG 20 HH11 ARG 20 50.260 27.176 12.083 164 HH12 ARG 20 HH12 ARG 20 51.391 28.471 11.871 165 HH21 ARG 20 HH21 ARG 20 53.378 26.761 9.621 166 HH22 ARG 20 HH22 ARG 20 53.134 28.237 10.493 167 H LEU 21 H LEU 21 48.371 20.476 11.738 168 HA LEU 21 HA LEU 21 50.905 19.434 11.019 169 HB2 LEU 21 HB2 LEU 21 48.805 18.480 12.960 170 HB3 LEU 21 HB3 LEU 21 50.343 17.644 12.744 171 HG LEU 21 HG LEU 21 50.160 20.602 13.362 172 HD11 LEU 21 HD11 LEU 21 50.145 18.199 15.165 173 HD12 LEU 21 HD12 LEU 21 49.246 19.708 15.313 174 HD13 LEU 21 HD13 LEU 21 50.969 19.667 15.690 175 HD21 LEU 21 HD21 LEU 21 52.340 18.543 13.151 176 HD22 LEU 21 HD22 LEU 21 52.546 19.882 14.278 177 HD23 LEU 21 HD23 LEU 21 52.315 20.204 12.560 178 H ARG 22 H ARG 22 47.622 18.271 10.416 179 HA ARG 22 HA ARG 22 48.289 15.724 9.425 180 HB2 ARG 22 HB2 ARG 22 45.994 16.464 10.048 181 HB3 ARG 22 HB3 ARG 22 45.962 17.471 8.600 182 HG2 ARG 22 HG2 ARG 22 46.336 15.462 7.203 183 HG3 ARG 22 HG3 ARG 22 46.322 14.460 8.655 184 HD2 ARG 22 HD2 ARG 22 44.024 15.289 9.156 185 HD3 ARG 22 HD3 ARG 22 44.040 16.169 7.631 186 HE ARG 22 HE ARG 22 44.665 13.428 7.198 187 HH11 ARG 22 HH11 ARG 22 41.928 15.504 7.924 188 HH12 ARG 22 HH12 ARG 22 40.787 14.421 7.199 189 HH21 ARG 22 HH21 ARG 22 43.149 12.074 6.278 190 HH22 ARG 22 HH22 ARG 22 41.471 12.504 6.279 191 H GLY 23 H GLY 23 47.995 18.865 7.797 192 HA2 GLY 23 HA2 GLY 23 48.265 17.971 5.154 193 HA3 GLY 23 HA3 GLY 23 48.698 19.577 5.728 194 H GLN 24 H GLN 24 50.712 18.591 7.624 195 HA GLN 24 HA GLN 24 52.874 18.178 5.726 196 HB2 GLN 24 HB2 GLN 24 52.881 18.619 8.708 197 HB3 GLN 24 HB3 GLN 24 54.339 18.421 7.735 198 HG2 GLN 24 HG2 GLN 24 53.705 20.350 6.357 199 HG3 GLN 24 HG3 GLN 24 52.219 20.540 7.284 200 HE21 GLN 24 HE21 GLN 24 54.261 22.592 7.089 201 HE22 GLN 24 HE22 GLN 24 54.908 22.818 8.640 202 H GLY 25 H GLY 25 50.863 15.946 6.897 203 HA2 GLY 25 HA2 GLY 25 51.153 13.648 6.541 204 HA3 GLY 25 HA3 GLY 25 52.892 13.886 6.546 205 H VAL 26 H VAL 26 51.224 15.317 9.219 206 HA VAL 26 HA VAL 26 52.232 13.174 10.968 207 HB VAL 26 HB VAL 26 51.271 15.957 11.688 208 HG11 VAL 26 HG11 VAL 26 51.133 14.197 13.483 209 HG12 VAL 26 HG12 VAL 26 52.252 15.507 13.859 210 HG13 VAL 26 HG13 VAL 26 52.870 13.951 13.306 211 HG21 VAL 26 HG21 VAL 26 53.291 16.132 10.362 212 HG22 VAL 26 HG22 VAL 26 54.051 14.819 11.262 213 HG23 VAL 26 HG23 VAL 26 53.735 16.363 12.053 214 H GLN 27 H GLN 27 50.905 11.995 12.269 215 HA GLN 27 HA GLN 27 48.046 12.086 11.724 216 HB2 GLN 27 HB2 GLN 27 49.646 10.311 13.583 217 HB3 GLN 27 HB3 GLN 27 47.950 10.089 13.161 218 HG2 GLN 27 HG2 GLN 27 48.634 9.901 10.757 219 HG3 GLN 27 HG3 GLN 27 50.318 9.953 11.276 220 HE21 GLN 27 HE21 GLN 27 51.225 8.040 12.214 221 HE22 GLN 27 HE22 GLN 27 50.360 6.587 12.351 222 H VAL 28 H VAL 28 46.525 12.954 13.072 223 HA VAL 28 HA VAL 28 47.557 14.235 15.548 224 HB VAL 28 HB VAL 28 45.390 15.330 13.747 225 HG11 VAL 28 HG11 VAL 28 45.414 15.950 16.191 226 HG12 VAL 28 HG12 VAL 28 45.625 17.316 15.100 227 HG13 VAL 28 HG13 VAL 28 47.017 16.639 15.941 228 HG21 VAL 28 HG21 VAL 28 47.312 15.591 12.411 229 HG22 VAL 28 HG22 VAL 28 48.369 15.806 13.807 230 HG23 VAL 28 HG23 VAL 28 47.268 17.099 13.325 231 H ASP 29 H ASP 29 46.533 13.805 17.369 232 HA ASP 29 HA ASP 29 43.639 13.255 17.281 233 HB2 ASP 29 HB2 ASP 29 44.864 11.087 17.521 234 HB3 ASP 29 HB3 ASP 29 45.587 11.706 19.006 235 H TYR 30 H TYR 30 42.502 14.266 18.916 236 HA TYR 30 HA TYR 30 44.117 15.839 20.848 237 HB2 TYR 30 HB2 TYR 30 42.399 17.527 20.780 238 HB3 TYR 30 HB3 TYR 30 42.984 17.210 19.160 239 HD1 TYR 30 HD1 TYR 30 40.121 17.254 21.369 240 HD2 TYR 30 HD2 TYR 30 41.579 15.806 17.596 241 HE1 TYR 30 HE1 TYR 30 37.790 16.843 20.627 242 HE2 TYR 30 HE2 TYR 30 39.248 15.397 16.854 243 HH TYR 30 HH TYR 30 37.094 15.260 17.614 244 H LEU 31 H LEU 31 43.493 15.904 22.979 245 HA LEU 31 HA LEU 31 41.499 13.860 23.769 246 HB2 LEU 31 HB2 LEU 31 43.852 13.264 24.236 247 HB3 LEU 31 HB3 LEU 31 44.004 14.713 25.225 248 HG LEU 31 HG LEU 31 41.970 13.789 26.545 249 HD11 LEU 31 HD11 LEU 31 42.141 11.169 26.442 250 HD12 LEU 31 HD12 LEU 31 42.753 11.460 24.814 251 HD13 LEU 31 HD13 LEU 31 41.143 12.021 25.263 252 HD21 LEU 31 HD21 LEU 31 44.441 12.079 26.766 253 HD22 LEU 31 HD22 LEU 31 43.433 12.736 28.055 254 HD23 LEU 31 HD23 LEU 31 44.505 13.801 27.146 255 HA PRO 32 HA PRO 32 39.545 17.616 25.676 256 HB2 PRO 32 HB2 PRO 32 38.016 15.389 26.971 257 HB3 PRO 32 HB3 PRO 32 37.420 16.912 26.284 258 HG2 PRO 32 HG2 PRO 32 37.150 14.616 24.984 259 HG3 PRO 32 HG3 PRO 32 37.492 16.131 24.129 260 HD2 PRO 32 HD2 PRO 32 39.299 13.826 24.646 261 HD3 PRO 32 HD3 PRO 32 39.323 15.007 23.321 262 H LEU 33 H LEU 33 40.128 18.579 27.576 263 HA LEU 33 HA LEU 33 42.090 17.359 29.192 264 HB2 LEU 33 HB2 LEU 33 40.455 19.804 29.875 265 HB3 LEU 33 HB3 LEU 33 42.017 19.359 30.545 266 HG LEU 33 HG LEU 33 41.433 20.118 27.669 267 HD11 LEU 33 HD11 LEU 33 41.893 22.218 28.308 268 HD12 LEU 33 HD12 LEU 33 43.495 21.738 28.852 269 HD13 LEU 33 HD13 LEU 33 42.134 21.707 29.968 270 HD21 LEU 33 HD21 LEU 33 44.032 20.035 27.563 271 HD22 LEU 33 HD22 LEU 33 43.144 18.513 27.468 272 HD23 LEU 33 HD23 LEU 33 43.900 19.002 28.985 273 H ASP 34 H ASP 34 38.705 16.977 29.365 274 HA ASP 34 HA ASP 34 38.507 16.748 32.225 275 HB2 ASP 34 HB2 ASP 34 36.626 15.928 30.011 276 HB3 ASP 34 HB3 ASP 34 36.239 15.859 31.728 277 H TYR 35 H TYR 35 39.895 14.636 29.973 278 HA TYR 35 HA TYR 35 38.890 12.146 30.795 279 HB2 TYR 35 HB2 TYR 35 41.352 13.100 29.432 280 HB3 TYR 35 HB3 TYR 35 41.395 11.481 30.103 281 HD1 TYR 35 HD1 TYR 35 40.544 9.689 28.871 282 HD2 TYR 35 HD2 TYR 35 39.320 13.692 27.905 283 HE1 TYR 35 HE1 TYR 35 39.337 8.839 26.878 284 HE2 TYR 35 HE2 TYR 35 38.113 12.842 25.913 285 HH TYR 35 HH TYR 35 37.589 9.531 25.379 286 HA PRO 36 HA PRO 36 40.730 11.842 34.816 287 HB2 PRO 36 HB2 PRO 36 40.653 9.186 35.298 288 HB3 PRO 36 HB3 PRO 36 39.174 10.164 35.183 289 HG2 PRO 36 HG2 PRO 36 40.394 8.343 33.177 290 HG3 PRO 36 HG3 PRO 36 38.686 8.611 33.573 291 HD2 PRO 36 HD2 PRO 36 39.974 9.750 31.400 292 HD3 PRO 36 HD3 PRO 36 38.502 10.397 32.152 293 H ALA 37 H ALA 37 42.638 11.325 35.947 294 HA ALA 37 HA ALA 37 45.015 11.285 34.516 295 HB1 ALA 37 HB1 ALA 37 44.541 11.819 37.023 296 HB2 ALA 37 HB2 ALA 37 46.108 11.148 36.571 297 HB3 ALA 37 HB3 ALA 37 44.870 10.105 37.272 298 H GLY 38 H GLY 38 46.631 9.684 34.210 299 HA2 GLY 38 HA2 GLY 38 47.412 7.455 34.082 300 HA3 GLY 38 HA3 GLY 38 45.785 6.887 34.437 301 H GLU 39 H GLU 39 44.430 8.521 32.449 302 HA GLU 39 HA GLU 39 44.569 6.716 30.283 303 HB2 GLU 39 HB2 GLU 39 43.350 9.479 30.454 304 HB3 GLU 39 HB3 GLU 39 43.102 8.361 29.112 305 HG2 GLU 39 HG2 GLU 39 42.424 7.790 32.012 306 HG3 GLU 39 HG3 GLU 39 41.263 8.226 30.764 307 H LEU 40 H LEU 40 46.044 9.887 30.809 308 HA LEU 40 HA LEU 40 46.889 10.388 28.173 309 HB2 LEU 40 HB2 LEU 40 46.937 12.046 30.035 310 HB3 LEU 40 HB3 LEU 40 48.290 11.165 30.744 311 HG LEU 40 HG LEU 40 49.477 11.485 28.488 312 HD11 LEU 40 HD11 LEU 40 48.647 13.504 27.231 313 HD12 LEU 40 HD12 LEU 40 47.178 13.440 28.206 314 HD13 LEU 40 HD13 LEU 40 47.577 12.107 27.123 315 HD21 LEU 40 HD21 LEU 40 48.817 14.033 29.986 316 HD22 LEU 40 HD22 LEU 40 50.322 13.628 29.158 317 HD23 LEU 40 HD23 LEU 40 49.877 12.784 30.641 318 H LEU 41 H LEU 41 48.507 8.719 30.865 319 HA LEU 41 HA LEU 41 50.967 8.307 29.535 320 HB2 LEU 41 HB2 LEU 41 50.601 8.110 32.002 321 HB3 LEU 41 HB3 LEU 41 49.747 6.595 31.712 322 HG LEU 41 HG LEU 41 51.885 5.865 30.439 323 HD11 LEU 41 HD11 LEU 41 52.950 8.182 32.082 324 HD12 LEU 41 HD12 LEU 41 52.922 8.086 30.320 325 HD13 LEU 41 HD13 LEU 41 53.944 6.987 31.248 326 HD21 LEU 41 HD21 LEU 41 53.041 5.483 32.774 327 HD22 LEU 41 HD22 LEU 41 51.491 4.716 32.431 328 HD23 LEU 41 HD23 LEU 41 51.551 6.182 33.409 329 H ALA 42 H ALA 42 48.073 6.256 29.828 330 HA ALA 42 HA ALA 42 49.199 3.958 28.653 331 HB1 ALA 42 HB1 ALA 42 46.347 4.924 28.876 332 HB2 ALA 42 HB2 ALA 42 47.157 3.701 29.854 333 HB3 ALA 42 HB3 ALA 42 46.770 3.367 28.166 334 H ARG 43 H ARG 43 47.350 6.634 27.214 335 HA ARG 43 HA ARG 43 47.260 5.592 24.596 336 HB2 ARG 43 HB2 ARG 43 45.892 7.517 25.415 337 HB3 ARG 43 HB3 ARG 43 47.348 8.515 25.380 338 HG2 ARG 43 HG2 ARG 43 47.615 8.016 22.966 339 HG3 ARG 43 HG3 ARG 43 46.124 7.076 23.009 340 HD2 ARG 43 HD2 ARG 43 44.912 9.118 23.786 341 HD3 ARG 43 HD3 ARG 43 46.403 10.037 23.590 342 HE ARG 43 HE ARG 43 45.962 10.106 21.333 343 HH11 ARG 43 HH11 ARG 43 44.228 7.355 22.657 344 HH12 ARG 43 HH12 ARG 43 43.506 6.952 21.136 345 HH21 ARG 43 HH21 ARG 43 45.007 9.534 19.401 346 HH22 ARG 43 HH22 ARG 43 43.941 8.172 19.316 347 H VAL 44 H VAL 44 49.674 7.634 26.219 348 HA VAL 44 HA VAL 44 51.199 8.225 23.931 349 HB VAL 44 HB VAL 44 52.062 8.003 26.826 350 HG11 VAL 44 HG11 VAL 44 53.967 9.390 26.210 351 HG12 VAL 44 HG12 VAL 44 53.409 9.473 24.539 352 HG13 VAL 44 HG13 VAL 44 53.973 7.940 25.205 353 HG21 VAL 44 HG21 VAL 44 51.564 10.564 25.337 354 HG22 VAL 44 HG22 VAL 44 51.460 10.239 27.066 355 HG23 VAL 44 HG23 VAL 44 50.194 9.667 25.983 356 H ARG 45 H ARG 45 51.435 5.545 26.256 357 HA ARG 45 HA ARG 45 53.814 4.453 25.144 358 HB2 ARG 45 HB2 ARG 45 51.677 3.189 26.868 359 HB3 ARG 45 HB3 ARG 45 53.237 2.453 26.499 360 HG2 ARG 45 HG2 ARG 45 54.387 4.399 27.503 361 HG3 ARG 45 HG3 ARG 45 52.823 5.111 27.900 362 HD2 ARG 45 HD2 ARG 45 53.620 3.989 29.877 363 HD3 ARG 45 HD3 ARG 45 52.299 3.028 29.218 364 HE ARG 45 HE ARG 45 54.985 2.277 28.361 365 HH11 ARG 45 HH11 ARG 45 52.339 1.634 30.578 366 HH12 ARG 45 HH12 ARG 45 52.892 0.032 30.930 367 HH21 ARG 45 HH21 ARG 45 55.648 0.206 28.855 368 HH22 ARG 45 HH22 ARG 45 54.742 -0.765 29.966 369 H ALA 46 H ALA 46 50.381 3.545 24.740 370 HA ALA 46 HA ALA 46 50.949 1.272 23.130 371 HB1 ALA 46 HB1 ALA 46 48.832 1.707 24.456 372 HB2 ALA 46 HB2 ALA 46 48.592 1.112 22.813 373 HB3 ALA 46 HB3 ALA 46 48.359 2.823 23.175 374 H GLU 47 H GLU 47 49.926 4.592 22.326 375 HA GLU 47 HA GLU 47 49.905 4.057 19.500 376 HB2 GLU 47 HB2 GLU 47 49.774 6.652 21.041 377 HB3 GLU 47 HB3 GLU 47 49.531 6.498 19.301 378 HG2 GLU 47 HG2 GLU 47 47.893 5.086 21.424 379 HG3 GLU 47 HG3 GLU 47 47.380 6.515 20.534 380 H ARG 48 H ARG 48 52.471 4.665 21.659 381 HA ARG 48 HA ARG 48 54.662 5.292 21.371 382 HB2 ARG 48 HB2 ARG 48 54.117 4.519 18.493 383 HB3 ARG 48 HB3 ARG 48 55.701 4.653 19.253 384 HG2 ARG 48 HG2 ARG 48 53.531 2.750 20.181 385 HG3 ARG 48 HG3 ARG 48 54.854 2.293 19.109 386 HD2 ARG 48 HD2 ARG 48 56.469 3.053 20.871 387 HD3 ARG 48 HD3 ARG 48 55.102 3.331 21.946 388 HE ARG 48 HE ARG 48 55.038 0.684 20.894 389 HH11 ARG 48 HH11 ARG 48 56.698 2.636 23.293 390 HH12 ARG 48 HH12 ARG 48 57.076 1.271 24.290 391 HH21 ARG 48 HH21 ARG 48 55.554 -1.037 22.218 392 HH22 ARG 48 HH22 ARG 48 56.436 -0.782 23.688 393 H LEU 49 H LEU 49 53.274 7.447 21.654 394 HA LEU 49 HA LEU 49 53.135 9.191 19.393 395 HB2 LEU 49 HB2 LEU 49 53.037 9.808 22.356 396 HB3 LEU 49 HB3 LEU 49 52.687 10.968 21.077 397 HG LEU 49 HG LEU 49 51.196 8.356 21.471 398 HD11 LEU 49 HD11 LEU 49 50.156 11.140 22.004 399 HD12 LEU 49 HD12 LEU 49 50.951 10.201 23.268 400 HD13 LEU 49 HD13 LEU 49 49.471 9.601 22.520 401 HD21 LEU 49 HD21 LEU 49 49.553 9.779 19.970 402 HD22 LEU 49 HD22 LEU 49 50.903 8.928 19.220 403 HD23 LEU 49 HD23 LEU 49 51.023 10.658 19.541 404 H ASN 50 H ASN 50 54.410 10.884 18.802 405 HA ASN 50 HA ASN 50 57.214 10.675 19.592 406 HB2 ASN 50 HB2 ASN 50 55.824 12.248 17.416 407 HB3 ASN 50 HB3 ASN 50 57.563 12.257 17.694 408 HD21 ASN 50 HD21 ASN 50 58.750 10.630 16.672 409 HD22 ASN 50 HD22 ASN 50 58.064 9.267 15.931 410 H GLY 51 H GLY 51 54.529 13.010 19.602 411 HA2 GLY 51 HA2 GLY 51 56.047 14.680 21.474 412 HA3 GLY 51 HA3 GLY 51 55.663 15.406 19.925 413 H LEU 52 H LEU 52 54.878 16.572 22.213 414 HA LEU 52 HA LEU 52 51.935 16.237 22.179 415 HB2 LEU 52 HB2 LEU 52 53.625 17.105 24.540 416 HB3 LEU 52 HB3 LEU 52 51.874 16.908 24.524 417 HG LEU 52 HG LEU 52 53.861 14.678 23.999 418 HD11 LEU 52 HD11 LEU 52 52.083 14.948 26.418 419 HD12 LEU 52 HD12 LEU 52 53.676 15.704 26.385 420 HD13 LEU 52 HD13 LEU 52 53.526 13.955 26.214 421 HD21 LEU 52 HD21 LEU 52 51.750 14.268 22.882 422 HD22 LEU 52 HD22 LEU 52 50.846 14.758 24.315 423 HD23 LEU 52 HD23 LEU 52 51.792 13.270 24.335 424 H VAL 53 H VAL 53 50.733 18.138 22.051 425 HA VAL 53 HA VAL 53 52.288 20.645 21.714 426 HB VAL 53 HB VAL 53 49.754 19.835 20.261 427 HG11 VAL 53 HG11 VAL 53 51.591 22.231 19.981 428 HG12 VAL 53 HG12 VAL 53 49.926 22.251 20.559 429 HG13 VAL 53 HG13 VAL 53 50.271 21.845 18.878 430 HG21 VAL 53 HG21 VAL 53 51.039 19.350 18.365 431 HG22 VAL 53 HG22 VAL 53 52.030 18.668 19.651 432 HG23 VAL 53 HG23 VAL 53 52.437 20.238 18.961 433 H VAL 54 H VAL 54 51.709 22.287 23.029 434 HA VAL 54 HA VAL 54 48.923 22.348 24.036 435 HB VAL 54 HB VAL 54 49.832 23.530 26.075 436 HG11 VAL 54 HG11 VAL 54 49.046 21.400 26.506 437 HG12 VAL 54 HG12 VAL 54 50.726 21.251 27.021 438 HG13 VAL 54 HG13 VAL 54 50.227 20.628 25.446 439 HG21 VAL 54 HG21 VAL 54 52.438 22.152 25.480 440 HG22 VAL 54 HG22 VAL 54 52.101 23.444 26.633 441 HG23 VAL 54 HG23 VAL 54 52.156 23.795 24.905 442 H SER 55 H SER 55 47.892 24.248 23.952 443 HA SER 55 HA SER 55 49.287 26.458 22.599 444 HB2 SER 55 HB2 SER 55 47.150 25.427 21.662 445 HB3 SER 55 HB3 SER 55 46.315 26.197 23.006 446 HG SER 55 HG SER 55 48.032 27.624 21.362 447 H SER 56 H SER 56 48.149 25.634 25.741 448 HA SER 56 HA SER 56 48.343 28.441 26.561 449 HB2 SER 56 HB2 SER 56 46.204 28.448 27.688 450 HB3 SER 56 HB3 SER 56 45.950 28.032 25.997 451 HG SER 56 HG SER 56 45.331 26.631 28.110 452 H GLY 57 H GLY 57 48.569 28.743 28.837 453 HA2 GLY 57 HA2 GLY 57 50.236 26.913 30.137 454 HA3 GLY 57 HA3 GLY 57 49.362 28.218 30.934 455 H GLN 58 H GLN 58 46.717 27.355 30.333 456 HA GLN 58 HA GLN 58 46.223 25.645 32.506 457 HB2 GLN 58 HB2 GLN 58 44.498 26.285 30.103 458 HB3 GLN 58 HB3 GLN 58 43.927 25.449 31.547 459 HG2 GLN 58 HG2 GLN 58 44.512 27.374 32.933 460 HG3 GLN 58 HG3 GLN 58 45.180 28.209 31.533 461 HE21 GLN 58 HE21 GLN 58 43.036 29.327 33.079 462 HE22 GLN 58 HE22 GLN 58 41.646 29.366 32.105 463 H GLY 59 H GLY 59 46.403 24.958 29.018 464 HA2 GLY 59 HA2 GLY 59 45.706 22.245 29.113 465 HA3 GLY 59 HA3 GLY 59 46.719 22.988 27.878 466 H LEU 60 H LEU 60 48.879 23.831 29.374 467 HA LEU 60 HA LEU 60 50.472 21.530 29.424 468 HB2 LEU 60 HB2 LEU 60 51.321 23.857 29.200 469 HB3 LEU 60 HB3 LEU 60 50.959 24.126 30.905 470 HG LEU 60 HG LEU 60 52.446 22.156 31.444 471 HD11 LEU 60 HD11 LEU 60 52.626 20.902 29.483 472 HD12 LEU 60 HD12 LEU 60 54.154 21.784 29.477 473 HD13 LEU 60 HD13 LEU 60 52.814 22.331 28.468 474 HD21 LEU 60 HD21 LEU 60 53.855 24.356 29.907 475 HD22 LEU 60 HD22 LEU 60 54.479 23.440 31.278 476 HD23 LEU 60 HD23 LEU 60 53.162 24.590 31.512 477 H GLN 61 H GLN 61 48.924 23.294 32.084 478 HA GLN 61 HA GLN 61 50.001 21.760 34.191 479 HB2 GLN 61 HB2 GLN 61 47.398 23.292 34.027 480 HB3 GLN 61 HB3 GLN 61 48.076 22.632 35.515 481 HG2 GLN 61 HG2 GLN 61 49.445 24.645 33.707 482 HG3 GLN 61 HG3 GLN 61 48.662 25.020 35.239 483 HE21 GLN 61 HE21 GLN 61 51.677 24.725 34.064 484 HE22 GLN 61 HE22 GLN 61 52.467 24.029 35.396 485 H ASN 62 H ASN 62 47.000 21.380 32.327 486 HA ASN 62 HA ASN 62 45.936 19.214 33.759 487 HB2 ASN 62 HB2 ASN 62 45.688 19.881 30.819 488 HB3 ASN 62 HB3 ASN 62 44.681 18.717 31.678 489 HD21 ASN 62 HD21 ASN 62 44.474 21.747 30.531 490 HD22 ASN 62 HD22 ASN 62 43.491 22.463 31.713 491 H LEU 63 H LEU 63 48.224 19.302 31.056 492 HA LEU 63 HA LEU 63 48.374 16.555 30.527 493 HB2 LEU 63 HB2 LEU 63 49.415 18.386 29.155 494 HB3 LEU 63 HB3 LEU 63 50.664 18.531 30.390 495 HG LEU 63 HG LEU 63 50.979 15.971 30.048 496 HD11 LEU 63 HD11 LEU 63 48.947 15.667 28.674 497 HD12 LEU 63 HD12 LEU 63 50.394 15.207 27.776 498 HD13 LEU 63 HD13 LEU 63 49.612 16.755 27.455 499 HD21 LEU 63 HD21 LEU 63 51.786 18.107 28.063 500 HD22 LEU 63 HD22 LEU 63 52.425 16.465 27.990 501 HD23 LEU 63 HD23 LEU 63 52.728 17.468 29.409 502 H TYR 64 H TYR 64 50.180 18.568 32.813 503 HA TYR 64 HA TYR 64 51.944 16.598 33.770 504 HB2 TYR 64 HB2 TYR 64 52.096 19.063 34.163 505 HB3 TYR 64 HB3 TYR 64 50.771 18.921 35.300 506 HD1 TYR 64 HD1 TYR 64 51.098 17.862 37.486 507 HD2 TYR 64 HD2 TYR 64 54.329 18.238 34.675 508 HE1 TYR 64 HE1 TYR 64 52.728 17.356 39.286 509 HE2 TYR 64 HE2 TYR 64 55.947 17.739 36.467 510 HH TYR 64 HH TYR 64 55.019 17.545 39.770 511 H GLN 65 H GLN 65 48.751 17.619 34.952 512 HA GLN 65 HA GLN 65 48.704 15.998 37.254 513 HB2 GLN 65 HB2 GLN 65 46.429 17.061 35.565 514 HB3 GLN 65 HB3 GLN 65 46.231 16.319 37.154 515 HG2 GLN 65 HG2 GLN 65 47.651 18.030 38.168 516 HG3 GLN 65 HG3 GLN 65 47.952 18.749 36.589 517 HE21 GLN 65 HE21 GLN 65 46.769 20.256 38.717 518 HE22 GLN 65 HE22 GLN 65 45.166 20.617 38.287 519 H LEU 66 H LEU 66 47.542 15.383 33.956 520 HA LEU 66 HA LEU 66 46.422 12.843 34.501 521 HB2 LEU 66 HB2 LEU 66 47.499 13.970 31.906 522 HB3 LEU 66 HB3 LEU 66 46.529 12.505 32.044 523 HG LEU 66 HG LEU 66 45.621 15.244 32.978 524 HD11 LEU 66 HD11 LEU 66 45.619 15.463 30.647 525 HD12 LEU 66 HD12 LEU 66 44.004 14.820 30.946 526 HD13 LEU 66 HD13 LEU 66 45.291 13.750 30.389 527 HD21 LEU 66 HD21 LEU 66 44.366 13.690 34.200 528 HD22 LEU 66 HD22 LEU 66 44.408 12.492 32.907 529 HD23 LEU 66 HD23 LEU 66 43.363 13.907 32.766 530 H ALA 67 H ALA 67 49.680 13.835 33.563 531 HA ALA 67 HA ALA 67 50.780 11.312 33.042 532 HB1 ALA 67 HB1 ALA 67 52.043 13.788 34.241 533 HB2 ALA 67 HB2 ALA 67 51.995 13.346 32.534 534 HB3 ALA 67 HB3 ALA 67 52.943 12.386 33.667 535 H ALA 68 H ALA 68 50.381 13.071 36.099 536 HA ALA 68 HA ALA 68 50.312 12.313 38.263 537 HB1 ALA 68 HB1 ALA 68 49.039 10.431 38.549 538 HB2 ALA 68 HB2 ALA 68 50.006 9.476 37.428 539 HB3 ALA 68 HB3 ALA 68 48.801 10.606 36.810 540 H ALA 69 H ALA 69 51.357 9.366 38.828 541 HA ALA 69 HA ALA 69 53.847 10.242 39.785 542 HB1 ALA 69 HB1 ALA 69 52.590 7.533 39.437 543 HB2 ALA 69 HB2 ALA 69 52.886 8.436 40.923 544 HB3 ALA 69 HB3 ALA 69 54.234 7.707 40.051 545 H ASP 70 H ASP 70 52.992 9.124 36.608 546 HA ASP 70 HA ASP 70 55.712 8.164 36.070 547 HB2 ASP 70 HB2 ASP 70 53.179 8.090 34.434 548 HB3 ASP 70 HB3 ASP 70 54.738 7.487 33.871 549 H TRP 71 H TRP 71 54.641 11.173 36.230 550 HA TRP 71 HA TRP 71 55.028 12.448 33.842 551 HB2 TRP 71 HB2 TRP 71 54.355 13.690 35.719 552 HB3 TRP 71 HB3 TRP 71 55.761 13.229 36.644 553 HD1 TRP 71 HD1 TRP 71 57.484 15.038 36.865 554 HE1 TRP 71 HE1 TRP 71 58.130 17.156 35.552 555 HE3 TRP 71 HE3 TRP 71 54.311 14.630 32.877 556 HZ2 TRP 71 HZ2 TRP 71 57.434 18.487 33.127 557 HZ3 TRP 71 HZ3 TRP 71 54.334 16.332 31.080 558 HH2 TRP 71 HH2 TRP 71 55.893 18.259 31.198 559 HA PRO 72 HA PRO 72 59.951 12.415 34.650 560 HB2 PRO 72 HB2 PRO 72 59.869 9.524 35.445 561 HB3 PRO 72 HB3 PRO 72 61.055 10.776 35.867 562 HG2 PRO 72 HG2 PRO 72 59.183 10.008 37.590 563 HG3 PRO 72 HG3 PRO 72 59.720 11.695 37.487 564 HD2 PRO 72 HD2 PRO 72 57.150 10.504 36.632 565 HD3 PRO 72 HD3 PRO 72 57.525 12.182 37.074 566 H GLU 73 H GLU 73 57.980 9.608 33.607 567 HA GLU 73 HA GLU 73 59.794 8.969 31.448 568 HB2 GLU 73 HB2 GLU 73 56.998 7.993 32.075 569 HB3 GLU 73 HB3 GLU 73 58.029 7.345 30.798 570 HG2 GLU 73 HG2 GLU 73 59.754 6.801 32.508 571 HG3 GLU 73 HG3 GLU 73 58.662 7.372 33.763 572 H ILE 74 H ILE 74 56.539 10.376 31.710 573 HA ILE 74 HA ILE 74 56.088 10.705 28.954 574 HB ILE 74 HB ILE 74 54.980 12.257 31.308 575 HG12 ILE 74 HG12 ILE 74 53.794 9.954 29.737 576 HG13 ILE 74 HG13 ILE 74 54.682 9.737 31.241 577 HG21 ILE 74 HG21 ILE 74 54.681 13.397 29.077 578 HG22 ILE 74 HG22 ILE 74 53.169 12.916 29.844 579 HG23 ILE 74 HG23 ILE 74 53.827 11.959 28.517 580 HD11 ILE 74 HD11 ILE 74 53.001 10.624 32.526 581 HD12 ILE 74 HD12 ILE 74 52.018 10.032 31.189 582 HD13 ILE 74 HD13 ILE 74 52.464 11.734 31.266 583 H GLY 75 H GLY 75 57.693 12.788 31.290 584 HA2 GLY 75 HA2 GLY 75 57.772 15.174 29.812 585 HA3 GLY 75 HA3 GLY 75 58.879 14.733 31.102 586 H ARG 76 H ARG 76 59.455 12.238 29.245 587 HA ARG 76 HA ARG 76 61.870 13.216 28.145 588 HB2 ARG 76 HB2 ARG 76 60.330 10.668 27.607 589 HB3 ARG 76 HB3 ARG 76 61.992 10.973 27.090 590 HG2 ARG 76 HG2 ARG 76 62.615 11.386 29.463 591 HG3 ARG 76 HG3 ARG 76 60.980 10.950 29.948 592 HD2 ARG 76 HD2 ARG 76 62.978 9.167 28.535 593 HD3 ARG 76 HD3 ARG 76 62.461 9.038 30.214 594 HE ARG 76 HE ARG 76 60.195 8.925 28.524 595 HH11 ARG 76 HH11 ARG 76 62.953 6.948 29.425 596 HH12 ARG 76 HH12 ARG 76 62.123 5.464 29.096 597 HH21 ARG 76 HH21 ARG 76 59.178 6.982 28.117 598 HH22 ARG 76 HH22 ARG 76 60.013 5.484 28.365 599 H LEU 77 H LEU 77 58.625 12.936 26.828 600 HA LEU 77 HA LEU 77 59.436 12.968 24.090 601 HB2 LEU 77 HB2 LEU 77 56.759 13.517 25.385 602 HB3 LEU 77 HB3 LEU 77 57.015 13.366 23.646 603 HG LEU 77 HG LEU 77 57.975 11.196 25.491 604 HD11 LEU 77 HD11 LEU 77 55.232 11.140 24.245 605 HD12 LEU 77 HD12 LEU 77 55.473 11.835 25.848 606 HD13 LEU 77 HD13 LEU 77 55.872 10.143 25.551 607 HD21 LEU 77 HD21 LEU 77 58.633 11.220 23.094 608 HD22 LEU 77 HD22 LEU 77 56.929 11.222 22.640 609 HD23 LEU 77 HD23 LEU 77 57.617 9.830 23.476 610 HA PRO 78 HA PRO 78 60.096 17.430 23.784 611 HB2 PRO 78 HB2 PRO 78 59.070 17.227 21.001 612 HB3 PRO 78 HB3 PRO 78 60.618 17.856 21.599 613 HG2 PRO 78 HG2 PRO 78 60.438 15.515 20.337 614 HG3 PRO 78 HG3 PRO 78 61.596 15.795 21.650 615 HD2 PRO 78 HD2 PRO 78 59.031 14.262 21.710 616 HD3 PRO 78 HD3 PRO 78 60.544 13.968 22.588 617 H LEU 79 H LEU 79 58.815 19.085 24.367 618 HA LEU 79 HA LEU 79 55.928 18.950 23.729 619 HB2 LEU 79 HB2 LEU 79 56.582 19.003 26.141 620 HB3 LEU 79 HB3 LEU 79 57.313 20.584 25.865 621 HG LEU 79 HG LEU 79 55.044 21.322 24.951 622 HD11 LEU 79 HD11 LEU 79 54.321 18.653 26.181 623 HD12 LEU 79 HD12 LEU 79 53.989 19.212 24.542 624 HD13 LEU 79 HD13 LEU 79 53.134 19.929 25.908 625 HD21 LEU 79 HD21 LEU 79 54.808 20.468 27.823 626 HD22 LEU 79 HD22 LEU 79 54.357 22.002 27.080 627 HD23 LEU 79 HD23 LEU 79 56.057 21.624 27.359 628 H PHE 80 H PHE 80 55.105 20.387 22.345 629 HA PHE 80 HA PHE 80 56.713 22.652 21.415 630 HB2 PHE 80 HB2 PHE 80 53.964 21.684 20.604 631 HB3 PHE 80 HB3 PHE 80 54.833 22.995 19.845 632 HD1 PHE 80 HD1 PHE 80 54.134 19.511 19.827 633 HD2 PHE 80 HD2 PHE 80 57.137 22.389 18.751 634 HE1 PHE 80 HE1 PHE 80 55.098 17.898 18.213 635 HE2 PHE 80 HE2 PHE 80 58.107 20.768 17.138 636 HZ PHE 80 HZ PHE 80 57.073 18.530 16.858 637 H VAL 81 H VAL 81 56.464 24.645 22.310 638 HA VAL 81 HA VAL 81 53.895 25.278 23.648 639 HB VAL 81 HB VAL 81 55.129 26.820 25.078 640 HG11 VAL 81 HG11 VAL 81 54.881 24.332 25.591 641 HG12 VAL 81 HG12 VAL 81 56.162 25.174 26.462 642 HG13 VAL 81 HG13 VAL 81 56.560 24.156 25.079 643 HG21 VAL 81 HG21 VAL 81 56.993 27.640 23.996 644 HG22 VAL 81 HG22 VAL 81 57.366 26.099 23.230 645 HG23 VAL 81 HG23 VAL 81 57.775 26.362 24.922 646 HA PRO 82 HA PRO 82 53.460 28.351 20.566 647 HB2 PRO 82 HB2 PRO 82 51.660 30.046 21.652 648 HB3 PRO 82 HB3 PRO 82 51.240 28.383 21.199 649 HG2 PRO 82 HG2 PRO 82 51.777 29.533 23.876 650 HG3 PRO 82 HG3 PRO 82 50.631 28.272 23.393 651 HD2 PRO 82 HD2 PRO 82 53.115 27.807 24.574 652 HD3 PRO 82 HD3 PRO 82 52.167 26.606 23.675 653 H SER 83 H SER 83 54.589 29.434 23.702 654 HA SER 83 HA SER 83 55.722 31.847 22.466 655 HB2 SER 83 HB2 SER 83 54.755 33.351 24.012 656 HB3 SER 83 HB3 SER 83 53.423 32.324 23.494 657 HG SER 83 HG SER 83 53.299 32.118 25.598 658 HA PRO 84 HA PRO 84 59.229 31.132 25.090 659 HB2 PRO 84 HB2 PRO 84 59.046 33.925 26.109 660 HB3 PRO 84 HB3 PRO 84 60.408 33.089 25.337 661 HG2 PRO 84 HG2 PRO 84 58.989 34.928 24.042 662 HG3 PRO 84 HG3 PRO 84 59.635 33.497 23.218 663 HD2 PRO 84 HD2 PRO 84 56.823 34.072 24.053 664 HD3 PRO 84 HD3 PRO 84 57.421 33.178 22.638 665 H ARG 85 H ARG 85 56.669 33.095 26.630 666 HA ARG 85 HA ARG 85 57.361 32.572 29.298 667 HB2 ARG 85 HB2 ARG 85 54.643 33.123 28.088 668 HB3 ARG 85 HB3 ARG 85 55.009 33.179 29.813 669 HG2 ARG 85 HG2 ARG 85 56.721 34.917 29.382 670 HG3 ARG 85 HG3 ARG 85 56.306 34.886 27.668 671 HD2 ARG 85 HD2 ARG 85 55.106 36.724 28.656 672 HD3 ARG 85 HD3 ARG 85 53.936 35.452 28.319 673 HE ARG 85 HE ARG 85 53.571 35.265 30.592 674 HH11 ARG 85 HH11 ARG 85 56.617 36.950 30.125 675 HH12 ARG 85 HH12 ARG 85 56.799 37.295 31.813 676 HH21 ARG 85 HH21 ARG 85 53.861 35.739 32.751 677 HH22 ARG 85 HH22 ARG 85 55.258 36.618 33.280 678 H VAL 86 H VAL 86 55.062 30.858 27.165 679 HA VAL 86 HA VAL 86 54.274 28.903 29.026 680 HB VAL 86 HB VAL 86 54.518 28.635 26.017 681 HG11 VAL 86 HG11 VAL 86 53.061 27.042 28.137 682 HG12 VAL 86 HG12 VAL 86 54.195 26.451 26.923 683 HG13 VAL 86 HG13 VAL 86 52.589 26.996 26.438 684 HG21 VAL 86 HG21 VAL 86 53.135 30.574 26.904 685 HG22 VAL 86 HG22 VAL 86 52.097 29.378 27.678 686 HG23 VAL 86 HG23 VAL 86 52.244 29.412 25.921 687 H ALA 87 H ALA 87 57.012 29.010 26.774 688 HA ALA 87 HA ALA 87 57.961 26.402 27.107 689 HB1 ALA 87 HB1 ALA 87 59.872 27.128 26.025 690 HB2 ALA 87 HB2 ALA 87 59.888 28.677 26.866 691 HB3 ALA 87 HB3 ALA 87 58.739 28.396 25.558 692 H GLU 88 H GLU 88 58.592 29.334 28.996 693 HA GLU 88 HA GLU 88 60.539 28.256 30.719 694 HB2 GLU 88 HB2 GLU 88 58.518 30.455 31.209 695 HB3 GLU 88 HB3 GLU 88 59.895 30.106 32.256 696 HG2 GLU 88 HG2 GLU 88 61.419 30.463 30.324 697 HG3 GLU 88 HG3 GLU 88 60.032 30.892 29.332 698 H MET 89 H MET 89 56.999 28.364 30.975 699 HA MET 89 HA MET 89 56.760 27.266 33.549 700 HB2 MET 89 HB2 MET 89 54.921 27.000 31.157 701 HB3 MET 89 HB3 MET 89 54.485 26.577 32.814 702 HG2 MET 89 HG2 MET 89 55.042 28.931 33.493 703 HG3 MET 89 HG3 MET 89 55.267 29.318 31.788 704 HE1 MET 89 HE1 MET 89 52.056 27.078 33.547 705 HE2 MET 89 HE2 MET 89 51.703 28.620 34.322 706 HE3 MET 89 HE3 MET 89 53.316 27.924 34.456 707 H ALA 90 H ALA 90 56.953 25.697 30.376 708 HA ALA 90 HA ALA 90 56.561 23.049 31.243 709 HB1 ALA 90 HB1 ALA 90 57.939 22.518 29.117 710 HB2 ALA 90 HB2 ALA 90 57.934 24.262 28.857 711 HB3 ALA 90 HB3 ALA 90 56.411 23.376 28.924 712 H ARG 91 H ARG 91 59.514 24.983 30.918 713 HA ARG 91 HA ARG 91 61.360 22.960 31.548 714 HB2 ARG 91 HB2 ARG 91 61.973 25.181 30.618 715 HB3 ARG 91 HB3 ARG 91 61.556 25.921 32.162 716 HG2 ARG 91 HG2 ARG 91 63.907 25.624 32.244 717 HG3 ARG 91 HG3 ARG 91 63.260 24.303 33.213 718 HD2 ARG 91 HD2 ARG 91 63.424 22.805 31.234 719 HD3 ARG 91 HD3 ARG 91 64.133 24.129 30.316 720 HE ARG 91 HE ARG 91 65.582 23.692 32.727 721 HH11 ARG 91 HH11 ARG 91 65.120 22.300 29.537 722 HH12 ARG 91 HH12 ARG 91 66.689 21.565 29.522 723 HH21 ARG 91 HH21 ARG 91 67.588 22.723 32.650 724 HH22 ARG 91 HH22 ARG 91 68.068 21.803 31.263 725 H GLU 92 H GLU 92 59.598 25.239 33.630 726 HA GLU 92 HA GLU 92 60.849 24.591 36.054 727 HB2 GLU 92 HB2 GLU 92 59.309 26.522 35.685 728 HB3 GLU 92 HB3 GLU 92 57.956 25.390 35.683 729 HG2 GLU 92 HG2 GLU 92 58.636 24.624 37.952 730 HG3 GLU 92 HG3 GLU 92 59.909 25.835 37.955 731 H LEU 93 H LEU 93 58.121 23.061 34.395 732 HA LEU 93 HA LEU 93 57.453 21.233 36.447 733 HB2 LEU 93 HB2 LEU 93 57.151 20.869 33.461 734 HB3 LEU 93 HB3 LEU 93 56.342 19.921 34.702 735 HG LEU 93 HG LEU 93 55.998 22.900 34.227 736 HD11 LEU 93 HD11 LEU 93 54.292 20.457 33.698 737 HD12 LEU 93 HD12 LEU 93 54.857 21.651 32.527 738 HD13 LEU 93 HD13 LEU 93 53.630 22.093 33.715 739 HD21 LEU 93 HD21 LEU 93 55.689 22.540 36.575 740 HD22 LEU 93 HD22 LEU 93 54.860 21.007 36.303 741 HD23 LEU 93 HD23 LEU 93 54.067 22.525 35.881 742 H GLY 94 H GLY 94 60.114 21.228 34.191 743 HA2 GLY 94 HA2 GLY 94 61.981 19.761 34.605 744 HA3 GLY 94 HA3 GLY 94 60.852 18.525 35.128 745 H ALA 95 H ALA 95 59.850 20.195 32.248 746 HA ALA 95 HA ALA 95 59.828 17.845 30.703 747 HB1 ALA 95 HB1 ALA 95 59.775 19.647 28.765 748 HB2 ALA 95 HB2 ALA 95 59.547 20.763 30.112 749 HB3 ALA 95 HB3 ALA 95 58.400 19.449 29.852 750 H GLN 96 H GLN 96 61.386 16.790 29.663 751 HA GLN 96 HA GLN 96 64.089 17.565 30.148 752 HB2 GLN 96 HB2 GLN 96 62.943 15.311 28.484 753 HB3 GLN 96 HB3 GLN 96 64.641 15.479 28.938 754 HG2 GLN 96 HG2 GLN 96 63.997 15.464 31.328 755 HG3 GLN 96 HG3 GLN 96 62.312 15.252 30.866 756 HE21 GLN 96 HE21 GLN 96 62.430 13.177 32.131 757 HE22 GLN 96 HE22 GLN 96 63.102 11.804 31.405 758 H ARG 97 H ARG 97 61.980 17.644 27.314 759 HA ARG 97 HA ARG 97 64.025 19.291 25.955 760 HB2 ARG 97 HB2 ARG 97 63.966 17.005 24.970 761 HB3 ARG 97 HB3 ARG 97 62.255 17.229 24.618 762 HG2 ARG 97 HG2 ARG 97 63.360 17.783 22.597 763 HG3 ARG 97 HG3 ARG 97 62.969 19.339 23.325 764 HD2 ARG 97 HD2 ARG 97 65.264 19.445 24.277 765 HD3 ARG 97 HD3 ARG 97 65.642 17.919 23.485 766 HE ARG 97 HE ARG 97 65.724 19.034 21.435 767 HH11 ARG 97 HH11 ARG 97 64.546 21.225 23.912 768 HH12 ARG 97 HH12 ARG 97 64.715 22.620 22.899 769 HH21 ARG 97 HH21 ARG 97 65.920 20.867 20.178 770 HH22 ARG 97 HH22 ARG 97 65.483 22.418 20.812 771 H VAL 98 H VAL 98 63.231 21.268 25.688 772 HA VAL 98 HA VAL 98 60.311 21.595 25.285 773 HB VAL 98 HB VAL 98 62.279 23.573 26.467 774 HG11 VAL 98 HG11 VAL 98 60.318 24.555 25.259 775 HG12 VAL 98 HG12 VAL 98 60.293 24.886 26.991 776 HG13 VAL 98 HG13 VAL 98 59.250 23.634 26.318 777 HG21 VAL 98 HG21 VAL 98 61.189 23.088 28.602 778 HG22 VAL 98 HG22 VAL 98 61.819 21.587 27.924 779 HG23 VAL 98 HG23 VAL 98 60.097 21.948 27.818 780 H ILE 99 H ILE 99 59.644 22.496 23.458 781 HA ILE 99 HA ILE 99 61.647 23.707 21.648 782 HB ILE 99 HB ILE 99 59.206 22.034 20.990 783 HG12 ILE 99 HG12 ILE 99 62.136 21.432 20.514 784 HG13 ILE 99 HG13 ILE 99 61.252 20.858 21.926 785 HG21 ILE 99 HG21 ILE 99 61.021 23.720 19.326 786 HG22 ILE 99 HG22 ILE 99 59.307 23.362 19.121 787 HG23 ILE 99 HG23 ILE 99 60.516 22.170 18.650 788 HD11 ILE 99 HD11 ILE 99 60.468 20.295 19.052 789 HD12 ILE 99 HD12 ILE 99 59.669 19.666 20.493 790 HD13 ILE 99 HD13 ILE 99 61.314 19.162 20.106 791 H ASP 100 H ASP 100 61.283 25.792 21.204 792 HA ASP 100 HA ASP 100 58.623 26.935 21.677 793 HB2 ASP 100 HB2 ASP 100 60.646 28.089 22.567 794 HB3 ASP 100 HB3 ASP 100 61.205 28.320 20.911 795 H CYS 101 H CYS 101 57.218 27.042 20.033 796 HA CYS 101 HA CYS 101 58.220 26.777 17.297 797 HB2 CYS 101 HB2 CYS 101 55.911 26.328 16.685 798 HB3 CYS 101 HB3 CYS 101 56.385 25.317 18.049 799 HG CYS 101 HG CYS 101 54.786 27.958 18.546 800 H ARG 102 H ARG 102 57.371 29.360 19.321 801 HA ARG 102 HA ARG 102 55.886 31.060 17.685 802 HB2 ARG 102 HB2 ARG 102 56.471 31.493 20.070 803 HB3 ARG 102 HB3 ARG 102 58.116 31.874 19.562 804 HG2 ARG 102 HG2 ARG 102 57.293 33.698 18.152 805 HG3 ARG 102 HG3 ARG 102 55.628 33.297 18.574 806 HD2 ARG 102 HD2 ARG 102 56.300 35.137 19.978 807 HD3 ARG 102 HD3 ARG 102 56.227 33.696 20.989 808 HE ARG 102 HE ARG 102 58.805 33.683 20.276 809 HH11 ARG 102 HH11 ARG 102 56.828 36.350 21.419 810 HH12 ARG 102 HH12 ARG 102 58.175 37.174 22.132 811 HH21 ARG 102 HH21 ARG 102 60.500 34.790 21.212 812 HH22 ARG 102 HH22 ARG 102 60.227 36.300 22.015 813 H GLY 103 H GLY 103 59.381 30.469 17.755 814 HA2 GLY 103 HA2 GLY 103 59.750 32.286 15.474 815 HA3 GLY 103 HA3 GLY 103 61.033 31.584 16.453 816 H ALA 104 H ALA 104 60.004 28.873 16.360 817 HA ALA 104 HA ALA 104 61.223 28.003 13.938 818 HB1 ALA 104 HB1 ALA 104 60.936 26.792 16.256 819 HB2 ALA 104 HB2 ALA 104 60.964 25.851 14.763 820 HB3 ALA 104 HB3 ALA 104 59.426 26.223 15.542 821 H SER 105 H SER 105 60.320 27.114 12.099 822 HA SER 105 HA SER 105 57.574 27.929 11.528 823 HB2 SER 105 HB2 SER 105 59.445 28.368 9.913 824 HB3 SER 105 HB3 SER 105 59.597 26.628 9.693 825 HG SER 105 HG SER 105 57.988 28.175 8.452 826 H ALA 106 H ALA 106 55.988 26.476 10.709 827 HA ALA 106 HA ALA 106 55.580 24.160 12.115 828 HB1 ALA 106 HB1 ALA 106 53.747 25.095 10.972 829 HB2 ALA 106 HB2 ALA 106 54.010 23.523 10.220 830 HB3 ALA 106 HB3 ALA 106 54.557 24.993 9.410 831 HA PRO 107 HA PRO 107 57.295 21.369 8.536 832 HB2 PRO 107 HB2 PRO 107 59.338 22.608 7.075 833 HB3 PRO 107 HB3 PRO 107 57.695 22.282 6.494 834 HG2 PRO 107 HG2 PRO 107 58.853 24.788 7.575 835 HG3 PRO 107 HG3 PRO 107 57.668 24.553 6.277 836 HD2 PRO 107 HD2 PRO 107 56.903 25.406 8.688 837 HD3 PRO 107 HD3 PRO 107 55.882 24.293 7.757 838 H ALA 108 H ALA 108 59.339 23.895 9.957 839 HA ALA 108 HA ALA 108 61.625 22.335 10.468 840 HB1 ALA 108 HB1 ALA 108 60.708 24.411 12.426 841 HB2 ALA 108 HB2 ALA 108 61.168 24.904 10.796 842 HB3 ALA 108 HB3 ALA 108 62.335 24.078 11.829 843 H LEU 109 H LEU 109 58.671 22.847 12.363 844 HA LEU 109 HA LEU 109 59.381 21.380 14.645 845 HB2 LEU 109 HB2 LEU 109 56.633 21.635 13.396 846 HB3 LEU 109 HB3 LEU 109 56.981 21.188 15.065 847 HG LEU 109 HG LEU 109 57.747 23.827 13.780 848 HD11 LEU 109 HD11 LEU 109 55.689 23.394 15.944 849 HD12 LEU 109 HD12 LEU 109 55.251 23.318 14.238 850 HD13 LEU 109 HD13 LEU 109 55.917 24.806 14.912 851 HD21 LEU 109 HD21 LEU 109 58.157 24.452 16.202 852 HD22 LEU 109 HD22 LEU 109 59.295 23.274 15.549 853 HD23 LEU 109 HD23 LEU 109 57.984 22.744 16.603 854 H LEU 110 H LEU 110 57.947 20.336 11.575 855 HA LEU 110 HA LEU 110 57.447 17.651 12.207 856 HB2 LEU 110 HB2 LEU 110 56.734 18.769 10.102 857 HB3 LEU 110 HB3 LEU 110 58.410 18.759 9.556 858 HG LEU 110 HG LEU 110 58.393 16.244 9.855 859 HD11 LEU 110 HD11 LEU 110 55.470 16.858 10.326 860 HD12 LEU 110 HD12 LEU 110 56.560 15.919 11.347 861 HD13 LEU 110 HD13 LEU 110 56.025 15.270 9.797 862 HD21 LEU 110 HD21 LEU 110 56.394 17.453 7.916 863 HD22 LEU 110 HD22 LEU 110 57.109 15.848 7.767 864 HD23 LEU 110 HD23 LEU 110 58.127 17.282 7.641 865 H ALA 111 H ALA 111 60.381 19.207 10.974 866 HA ALA 111 HA ALA 111 61.999 16.916 10.782 867 HB1 ALA 111 HB1 ALA 111 62.800 19.756 11.464 868 HB2 ALA 111 HB2 ALA 111 62.669 19.076 9.842 869 HB3 ALA 111 HB3 ALA 111 63.904 18.480 10.950 870 H ALA 112 H ALA 112 61.352 19.082 13.507 871 HA ALA 112 HA ALA 112 63.191 18.010 15.333 872 HB1 ALA 112 HB1 ALA 112 61.880 20.123 15.647 873 HB2 ALA 112 HB2 ALA 112 61.863 19.063 17.055 874 HB3 ALA 112 HB3 ALA 112 60.459 19.136 15.991 875 H LEU 113 H LEU 113 59.875 17.041 14.557 876 HA LEU 113 HA LEU 113 59.488 15.162 16.602 877 HB2 LEU 113 HB2 LEU 113 58.366 15.584 13.863 878 HB3 LEU 113 HB3 LEU 113 58.025 14.053 14.664 879 HG LEU 113 HG LEU 113 57.631 16.626 16.166 880 HD11 LEU 113 HD11 LEU 113 56.385 17.076 14.166 881 HD12 LEU 113 HD12 LEU 113 55.214 16.507 15.355 882 HD13 LEU 113 HD13 LEU 113 55.787 15.419 14.090 883 HD21 LEU 113 HD21 LEU 113 56.625 13.791 16.246 884 HD22 LEU 113 HD22 LEU 113 55.682 15.077 17.002 885 HD23 LEU 113 HD23 LEU 113 57.328 14.753 17.548 886 H THR 114 H THR 114 60.750 14.729 13.314 887 HA THR 114 HA THR 114 61.083 11.929 13.518 888 HB THR 114 HB THR 114 62.468 12.134 11.502 889 HG1 THR 114 HG1 THR 114 62.706 14.360 10.799 890 HG21 THR 114 HG21 THR 114 59.860 12.521 11.625 891 HG22 THR 114 HG22 THR 114 60.727 12.825 10.120 892 HG23 THR 114 HG23 THR 114 60.290 14.171 11.171 893 H SER 115 H SER 115 63.336 14.603 14.142 894 HA SER 115 HA SER 115 65.619 12.993 14.587 895 HB2 SER 115 HB2 SER 115 66.600 14.968 15.583 896 HB3 SER 115 HB3 SER 115 65.658 15.449 14.174 897 HG SER 115 HG SER 115 64.578 16.607 15.527 898 H ALA 116 H ALA 116 63.092 14.174 16.772 899 HA ALA 116 HA ALA 116 64.294 13.378 19.190 900 HB1 ALA 116 HB1 ALA 116 61.369 13.675 18.476 901 HB2 ALA 116 HB2 ALA 116 62.414 14.925 19.150 902 HB3 ALA 116 HB3 ALA 116 61.994 13.510 20.116 903 H ALA 117 H ALA 117 62.151 11.655 16.953 904 HA ALA 117 HA ALA 117 61.679 9.372 18.499 905 HB1 ALA 117 HB1 ALA 117 61.498 8.248 16.171 906 HB2 ALA 117 HB2 ALA 117 61.781 9.868 15.535 907 HB3 ALA 117 HB3 ALA 117 60.379 9.555 16.558 908 H LEU 118 H LEU 118 64.428 10.225 16.452 909 HA LEU 118 HA LEU 118 65.708 7.726 16.372 910 HB2 LEU 118 HB2 LEU 118 66.971 10.477 16.429 911 HB3 LEU 118 HB3 LEU 118 67.756 8.992 15.893 912 HG LEU 118 HG LEU 118 65.249 10.153 14.645 913 HD11 LEU 118 HD11 LEU 118 67.149 11.607 14.193 914 HD12 LEU 118 HD12 LEU 118 66.790 10.677 12.738 915 HD13 LEU 118 HD13 LEU 118 68.151 10.220 13.763 916 HD21 LEU 118 HD21 LEU 118 65.268 7.810 14.250 917 HD22 LEU 118 HD22 LEU 118 67.019 7.778 14.042 918 HD23 LEU 118 HD23 LEU 118 65.997 8.505 12.802 919 H GLU 119 H GLU 119 65.662 10.205 18.880 920 HA GLU 119 HA GLU 119 67.871 9.383 20.386 921 HB2 GLU 119 HB2 GLU 119 65.265 10.608 21.313 922 HB3 GLU 119 HB3 GLU 119 66.729 10.490 22.291 923 HG2 GLU 119 HG2 GLU 119 66.518 11.925 19.629 924 HG3 GLU 119 HG3 GLU 119 66.524 12.709 21.204 925 H HIS 120 H HIS 120 64.577 8.107 20.294 926 HA HIS 120 HA HIS 120 64.559 6.575 22.613 927 HB2 HIS 120 HB2 HIS 120 63.353 5.947 19.918 928 HB3 HIS 120 HB3 HIS 120 62.976 5.089 21.400 929 HD1 HIS 120 HD1 HIS 120 61.641 7.618 19.340 930 HD2 HIS 120 HD2 HIS 120 62.049 7.231 23.471 931 HE1 HIS 120 HE1 HIS 120 59.985 9.228 20.376 932 H HIS 121 H HIS 121 66.076 5.886 19.499 933 HA HIS 121 HA HIS 121 66.964 3.261 20.502 934 HB2 HIS 121 HB2 HIS 121 67.076 4.456 17.730 935 HB3 HIS 121 HB3 HIS 121 67.633 2.852 18.162 936 HD1 HIS 121 HD1 HIS 121 65.619 1.289 19.272 937 HD2 HIS 121 HD2 HIS 121 64.465 4.507 16.884 938 HE1 HIS 121 HE1 HIS 121 63.225 0.844 18.579 939 H HIS 122 H HIS 122 69.091 2.769 20.778 940 HA HIS 122 HA HIS 122 71.022 5.002 20.512 941 HB2 HIS 122 HB2 HIS 122 71.025 2.669 22.433 942 HB3 HIS 122 HB3 HIS 122 72.266 3.902 22.331 943 HD1 HIS 122 HD1 HIS 122 71.296 6.452 22.793 944 HD2 HIS 122 HD2 HIS 122 69.029 3.261 24.229 945 HE1 HIS 122 HE1 HIS 122 69.745 7.410 24.547 946 H HIS 123 H HIS 123 72.970 4.634 19.533 947 HA HIS 123 HA HIS 123 73.315 1.994 18.227 948 HB2 HIS 123 HB2 HIS 123 72.853 3.962 16.736 949 HB3 HIS 123 HB3 HIS 123 74.355 4.670 17.298 950 HD1 HIS 123 HD1 HIS 123 73.292 1.314 15.803 951 HD2 HIS 123 HD2 HIS 123 76.393 4.090 15.549 952 HE1 HIS 123 HE1 HIS 123 74.891 0.441 14.046 953 H HIS 124 H HIS 124 75.019 0.854 18.858 954 HA HIS 124 HA HIS 124 76.783 1.639 20.871 955 HB2 HIS 124 HB2 HIS 124 77.185 -0.459 18.736 956 HB3 HIS 124 HB3 HIS 124 78.122 -0.323 20.211 957 HD1 HIS 124 HD1 HIS 124 76.558 -0.504 22.495 958 HD2 HIS 124 HD2 HIS 124 75.006 -2.117 18.977 959 HE1 HIS 124 HE1 HIS 124 74.718 -2.098 23.189 960 H HIS 125 H HIS 125 77.160 1.750 17.350 961 HA HIS 125 HA HIS 125 79.818 2.960 17.660 962 HB2 HIS 125 HB2 HIS 125 78.374 2.160 15.133 963 HB3 HIS 125 HB3 HIS 125 80.057 2.631 15.274 964 HD1 HIS 125 HD1 HIS 125 81.510 0.933 16.917 965 HD2 HIS 125 HD2 HIS 125 77.981 -0.555 15.271 966 HE1 HIS 125 HE1 HIS 125 81.652 -1.588 17.080 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 58.005 6.408 7.389 2 H2 MET 1 HT2 MET 1 59.120 7.073 8.486 3 H3 MET 1 HT3 MET 1 57.970 8.069 7.730 4 HA MET 1 HA MET 1 56.678 5.940 9.079 5 HB2 MET 1 HB2 MET 1 58.540 7.703 10.696 6 HB3 MET 1 HB3 MET 1 57.267 6.697 11.387 7 HG2 MET 1 HG2 MET 1 58.336 4.706 10.278 8 HG3 MET 1 HG3 MET 1 59.675 5.752 9.809 9 HE1 MET 1 HE1 MET 1 60.822 7.255 11.294 10 HE2 MET 1 HE2 MET 1 61.340 6.879 12.936 11 HE3 MET 1 HE3 MET 1 59.803 7.699 12.670 12 H ASP 2 H ASP 2 55.148 7.049 10.734 13 HA ASP 2 HA ASP 2 54.374 9.726 9.733 14 HB2 ASP 2 HB2 ASP 2 52.517 7.453 10.468 15 HB3 ASP 2 HB3 ASP 2 52.034 9.055 9.914 16 HA PRO 3 HA PRO 3 55.291 9.723 14.312 17 HB2 PRO 3 HB2 PRO 3 55.462 12.540 14.372 18 HB3 PRO 3 HB3 PRO 3 56.817 11.403 14.275 19 HG2 PRO 3 HG2 PRO 3 55.491 12.942 12.128 20 HG3 PRO 3 HG3 PRO 3 57.189 12.464 12.305 21 HD2 PRO 3 HD2 PRO 3 55.570 11.216 10.564 22 HD3 PRO 3 HD3 PRO 3 56.825 10.325 11.453 23 H LYS 4 H LYS 4 53.990 10.353 16.085 24 HA LYS 4 HA LYS 4 51.305 11.388 15.352 25 HB2 LYS 4 HB2 LYS 4 52.056 9.356 17.472 26 HB3 LYS 4 HB3 LYS 4 50.428 9.949 17.147 27 HG2 LYS 4 HG2 LYS 4 50.627 9.083 14.811 28 HG3 LYS 4 HG3 LYS 4 52.191 8.392 15.236 29 HD2 LYS 4 HD2 LYS 4 51.078 7.097 17.054 30 HD3 LYS 4 HD3 LYS 4 49.521 7.709 16.496 31 HE2 LYS 4 HE2 LYS 4 49.608 6.501 14.502 32 HE3 LYS 4 HE3 LYS 4 51.366 6.364 14.544 33 HZ1 LYS 4 HZ1 LYS 4 49.912 5.144 16.750 34 HZ2 LYS 4 HZ2 LYS 4 51.289 4.596 15.918 35 HZ3 LYS 4 HZ3 LYS 4 49.745 4.391 15.239 36 H VAL 5 H VAL 5 50.442 13.006 16.630 37 HA VAL 5 HA VAL 5 51.816 13.613 19.179 38 HB VAL 5 HB VAL 5 51.486 16.038 18.727 39 HG11 VAL 5 HG11 VAL 5 53.694 15.387 18.430 40 HG12 VAL 5 HG12 VAL 5 53.315 16.028 16.829 41 HG13 VAL 5 HG13 VAL 5 53.302 14.286 17.107 42 HG21 VAL 5 HG21 VAL 5 49.773 15.396 16.812 43 HG22 VAL 5 HG22 VAL 5 51.225 15.385 15.811 44 HG23 VAL 5 HG23 VAL 5 50.762 16.849 16.678 45 H LEU 6 H LEU 6 50.606 14.364 20.817 46 HA LEU 6 HA LEU 6 47.678 14.172 20.488 47 HB2 LEU 6 HB2 LEU 6 48.800 12.671 22.157 48 HB3 LEU 6 HB3 LEU 6 49.287 14.112 23.050 49 HG LEU 6 HG LEU 6 46.760 14.733 22.974 50 HD11 LEU 6 HD11 LEU 6 45.800 13.175 21.519 51 HD12 LEU 6 HD12 LEU 6 45.459 12.453 23.090 52 HD13 LEU 6 HD13 LEU 6 46.801 11.853 22.116 53 HD21 LEU 6 HD21 LEU 6 47.872 14.175 25.051 54 HD22 LEU 6 HD22 LEU 6 47.880 12.460 24.640 55 HD23 LEU 6 HD23 LEU 6 46.357 13.274 24.995 56 H ILE 7 H ILE 7 46.388 15.896 20.906 57 HA ILE 7 HA ILE 7 47.742 18.447 21.501 58 HB ILE 7 HB ILE 7 44.986 17.991 20.331 59 HG12 ILE 7 HG12 ILE 7 47.478 18.892 18.868 60 HG13 ILE 7 HG13 ILE 7 46.967 17.205 18.905 61 HG21 ILE 7 HG21 ILE 7 46.730 20.474 20.399 62 HG22 ILE 7 HG22 ILE 7 45.392 20.172 21.508 63 HG23 ILE 7 HG23 ILE 7 45.082 20.358 19.781 64 HD11 ILE 7 HD11 ILE 7 46.157 18.628 16.916 65 HD12 ILE 7 HD12 ILE 7 45.068 19.397 18.068 66 HD13 ILE 7 HD13 ILE 7 44.950 17.664 17.766 67 H MET 8 H MET 8 47.322 19.557 23.283 68 HA MET 8 HA MET 8 45.387 18.579 25.221 69 HB2 MET 8 HB2 MET 8 47.405 20.838 25.244 70 HB3 MET 8 HB3 MET 8 46.344 20.482 26.598 71 HG2 MET 8 HG2 MET 8 48.364 18.569 25.384 72 HG3 MET 8 HG3 MET 8 48.573 19.447 26.894 73 HE1 MET 8 HE1 MET 8 45.545 19.289 28.109 74 HE2 MET 8 HE2 MET 8 47.127 19.283 28.881 75 HE3 MET 8 HE3 MET 8 45.964 18.012 29.258 76 H ARG 9 H ARG 9 43.454 19.489 25.658 77 HA ARG 9 HA ARG 9 42.190 21.159 23.800 78 HB2 ARG 9 HB2 ARG 9 41.020 19.668 25.418 79 HB3 ARG 9 HB3 ARG 9 41.445 20.790 26.711 80 HG2 ARG 9 HG2 ARG 9 40.247 22.602 25.511 81 HG3 ARG 9 HG3 ARG 9 39.776 21.443 24.267 82 HD2 ARG 9 HD2 ARG 9 38.652 20.073 26.024 83 HD3 ARG 9 HD3 ARG 9 39.038 21.324 27.203 84 HE ARG 9 HE ARG 9 37.685 22.483 25.003 85 HH11 ARG 9 HH11 ARG 9 37.031 20.406 27.758 86 HH12 ARG 9 HH12 ARG 9 35.371 20.889 27.853 87 HH21 ARG 9 HH21 ARG 9 35.538 23.064 25.176 88 HH22 ARG 9 HH22 ARG 9 34.537 22.375 26.410 89 H GLY 10 H GLY 10 41.825 23.330 23.681 90 HA2 GLY 10 HA2 GLY 10 42.471 25.161 25.793 91 HA3 GLY 10 HA3 GLY 10 43.685 25.154 24.518 92 H GLU 11 H GLU 11 42.505 27.489 24.841 93 HA GLU 11 HA GLU 11 40.058 28.007 23.612 94 HB2 GLU 11 HB2 GLU 11 41.415 29.650 24.915 95 HB3 GLU 11 HB3 GLU 11 42.499 29.789 23.529 96 HG2 GLU 11 HG2 GLU 11 40.560 30.459 22.119 97 HG3 GLU 11 HG3 GLU 11 39.533 30.405 23.544 98 H GLY 12 H GLY 12 43.233 27.477 22.163 99 HA2 GLY 12 HA2 GLY 12 42.809 28.473 19.599 100 HA3 GLY 12 HA3 GLY 12 43.864 27.115 19.979 101 H GLY 13 H GLY 13 42.438 27.237 17.587 102 HA2 GLY 13 HA2 GLY 13 40.010 25.660 17.851 103 HA3 GLY 13 HA3 GLY 13 40.717 26.253 16.351 104 H ARG 14 H ARG 14 40.027 23.519 18.015 105 HA ARG 14 HA ARG 14 42.290 21.881 17.845 106 HB2 ARG 14 HB2 ARG 14 39.387 21.115 17.430 107 HB3 ARG 14 HB3 ARG 14 40.700 19.999 17.796 108 HG2 ARG 14 HG2 ARG 14 41.101 21.206 19.931 109 HG3 ARG 14 HG3 ARG 14 39.720 22.249 19.576 110 HD2 ARG 14 HD2 ARG 14 38.320 20.144 19.375 111 HD3 ARG 14 HD3 ARG 14 39.697 19.257 20.017 112 HE ARG 14 HE ARG 14 39.147 21.391 21.758 113 HH11 ARG 14 HH11 ARG 14 37.653 18.381 20.736 114 HH12 ARG 14 HH12 ARG 14 36.767 18.203 22.213 115 HH21 ARG 14 HH21 ARG 14 37.969 21.111 23.634 116 HH22 ARG 14 HH22 ARG 14 36.946 19.729 23.832 117 H GLU 15 H GLU 15 39.781 22.607 15.445 118 HA GLU 15 HA GLU 15 40.615 20.723 13.513 119 HB2 GLU 15 HB2 GLU 15 39.103 23.324 13.187 120 HB3 GLU 15 HB3 GLU 15 39.274 22.096 11.931 121 HG2 GLU 15 HG2 GLU 15 38.227 20.432 13.456 122 HG3 GLU 15 HG3 GLU 15 37.988 21.703 14.647 123 H PHE 16 H PHE 16 41.493 24.131 14.028 124 HA PHE 16 HA PHE 16 42.821 24.544 11.590 125 HB2 PHE 16 HB2 PHE 16 42.209 26.326 13.200 126 HB3 PHE 16 HB3 PHE 16 43.470 25.757 14.278 127 HD1 PHE 16 HD1 PHE 16 42.769 27.377 11.026 128 HD2 PHE 16 HD2 PHE 16 45.787 26.283 13.882 129 HE1 PHE 16 HE1 PHE 16 44.403 28.829 9.856 130 HE2 PHE 16 HE2 PHE 16 47.420 27.736 12.710 131 HZ PHE 16 HZ PHE 16 46.729 29.010 10.698 132 H LEU 17 H LEU 17 44.225 23.686 14.768 133 HA LEU 17 HA LEU 17 46.874 23.460 13.817 134 HB2 LEU 17 HB2 LEU 17 45.608 22.064 16.189 135 HB3 LEU 17 HB3 LEU 17 47.336 22.285 15.918 136 HG LEU 17 HG LEU 17 45.332 24.544 16.199 137 HD11 LEU 17 HD11 LEU 17 46.232 24.875 18.413 138 HD12 LEU 17 HD12 LEU 17 47.456 23.632 18.157 139 HD13 LEU 17 HD13 LEU 17 45.757 23.181 18.288 140 HD21 LEU 17 HD21 LEU 17 47.557 25.815 16.552 141 HD22 LEU 17 HD22 LEU 17 47.153 25.341 14.901 142 HD23 LEU 17 HD23 LEU 17 48.327 24.403 15.826 143 H ALA 18 H ALA 18 44.293 21.046 14.144 144 HA ALA 18 HA ALA 18 45.857 18.782 13.620 145 HB1 ALA 18 HB1 ALA 18 43.670 17.745 12.897 146 HB2 ALA 18 HB2 ALA 18 42.926 19.331 13.106 147 HB3 ALA 18 HB3 ALA 18 43.635 18.499 14.491 148 H GLU 19 H GLU 19 44.076 20.887 11.339 149 HA GLU 19 HA GLU 19 44.549 19.308 9.061 150 HB2 GLU 19 HB2 GLU 19 44.084 22.283 9.329 151 HB3 GLU 19 HB3 GLU 19 44.145 21.434 7.783 152 HG2 GLU 19 HG2 GLU 19 42.313 19.947 8.554 153 HG3 GLU 19 HG3 GLU 19 42.221 20.855 10.054 154 H ARG 20 H ARG 20 46.465 21.916 10.540 155 HA ARG 20 HA ARG 20 48.383 22.140 8.490 156 HB2 ARG 20 HB2 ARG 20 48.805 22.496 11.467 157 HB3 ARG 20 HB3 ARG 20 49.839 23.132 10.189 158 HG2 ARG 20 HG2 ARG 20 46.904 23.823 10.488 159 HG3 ARG 20 HG3 ARG 20 48.217 24.817 11.113 160 HD2 ARG 20 HD2 ARG 20 49.143 24.954 8.787 161 HD3 ARG 20 HD3 ARG 20 47.716 24.099 8.212 162 HE ARG 20 HE ARG 20 46.688 26.201 9.618 163 HH11 ARG 20 HH11 ARG 20 48.990 25.984 6.976 164 HH12 ARG 20 HH12 ARG 20 48.554 27.536 6.338 165 HH21 ARG 20 HH21 ARG 20 46.170 28.189 8.748 166 HH22 ARG 20 HH22 ARG 20 46.978 28.765 7.329 167 H LEU 21 H LEU 21 48.481 20.117 11.450 168 HA LEU 21 HA LEU 21 51.025 19.020 10.827 169 HB2 LEU 21 HB2 LEU 21 48.845 18.114 12.704 170 HB3 LEU 21 HB3 LEU 21 50.397 17.287 12.565 171 HG LEU 21 HG LEU 21 50.146 20.249 13.147 172 HD11 LEU 21 HD11 LEU 21 50.917 19.331 15.505 173 HD12 LEU 21 HD12 LEU 21 50.113 17.859 14.960 174 HD13 LEU 21 HD13 LEU 21 49.205 19.364 15.083 175 HD21 LEU 21 HD21 LEU 21 52.377 18.241 13.007 176 HD22 LEU 21 HD22 LEU 21 52.521 19.589 14.136 177 HD23 LEU 21 HD23 LEU 21 52.331 19.900 12.410 178 H ARG 22 H ARG 22 47.731 17.951 10.087 179 HA ARG 22 HA ARG 22 48.376 15.381 9.129 180 HB2 ARG 22 HB2 ARG 22 46.149 17.281 8.370 181 HB3 ARG 22 HB3 ARG 22 46.253 15.622 7.792 182 HG2 ARG 22 HG2 ARG 22 46.256 16.333 10.732 183 HG3 ARG 22 HG3 ARG 22 44.781 15.979 9.837 184 HD2 ARG 22 HD2 ARG 22 45.791 13.773 9.187 185 HD3 ARG 22 HD3 ARG 22 47.143 14.128 10.254 186 HE ARG 22 HE ARG 22 45.105 14.427 11.943 187 HH11 ARG 22 HH11 ARG 22 45.668 11.875 9.597 188 HH12 ARG 22 HH12 ARG 22 44.796 10.698 10.522 189 HH21 ARG 22 HH21 ARG 22 43.997 12.867 13.087 190 HH22 ARG 22 HH22 ARG 22 43.864 11.254 12.472 191 H GLY 23 H GLY 23 48.250 18.528 7.484 192 HA2 GLY 23 HA2 GLY 23 48.689 17.607 4.870 193 HA3 GLY 23 HA3 GLY 23 49.095 19.214 5.457 194 H GLN 24 H GLN 24 50.967 18.226 7.495 195 HA GLN 24 HA GLN 24 53.254 17.813 5.751 196 HB2 GLN 24 HB2 GLN 24 53.052 18.244 8.730 197 HB3 GLN 24 HB3 GLN 24 54.572 18.086 7.847 198 HG2 GLN 24 HG2 GLN 24 53.992 20.010 6.449 199 HG3 GLN 24 HG3 GLN 24 52.437 20.156 7.263 200 HE21 GLN 24 HE21 GLN 24 54.392 22.276 7.237 201 HE22 GLN 24 HE22 GLN 24 54.930 22.505 8.830 202 H GLY 25 H GLY 25 51.173 15.573 6.843 203 HA2 GLY 25 HA2 GLY 25 51.493 13.265 6.582 204 HA3 GLY 25 HA3 GLY 25 53.227 13.512 6.685 205 H VAL 26 H VAL 26 51.560 15.087 9.223 206 HA VAL 26 HA VAL 26 52.356 12.950 11.083 207 HB VAL 26 HB VAL 26 51.615 15.830 11.668 208 HG11 VAL 26 HG11 VAL 26 51.286 14.168 13.527 209 HG12 VAL 26 HG12 VAL 26 52.506 15.392 13.880 210 HG13 VAL 26 HG13 VAL 26 52.999 13.766 13.405 211 HG21 VAL 26 HG21 VAL 26 54.142 15.937 12.153 212 HG22 VAL 26 HG22 VAL 26 53.660 15.906 10.457 213 HG23 VAL 26 HG23 VAL 26 54.262 14.440 11.229 214 H GLN 27 H GLN 27 50.905 11.973 12.427 215 HA GLN 27 HA GLN 27 48.082 12.253 11.746 216 HB2 GLN 27 HB2 GLN 27 49.439 10.403 13.718 217 HB3 GLN 27 HB3 GLN 27 47.772 10.286 13.165 218 HG2 GLN 27 HG2 GLN 27 48.610 9.995 10.829 219 HG3 GLN 27 HG3 GLN 27 50.257 9.978 11.459 220 HE21 GLN 27 HE21 GLN 27 51.011 8.038 12.471 221 HE22 GLN 27 HE22 GLN 27 50.063 6.634 12.585 222 H VAL 28 H VAL 28 46.520 13.076 13.095 223 HA VAL 28 HA VAL 28 47.514 14.421 15.548 224 HB VAL 28 HB VAL 28 45.283 15.335 13.716 225 HG11 VAL 28 HG11 VAL 28 46.720 16.807 15.939 226 HG12 VAL 28 HG12 VAL 28 45.174 15.989 16.158 227 HG13 VAL 28 HG13 VAL 28 45.302 17.349 15.044 228 HG21 VAL 28 HG21 VAL 28 48.061 16.506 14.048 229 HG22 VAL 28 HG22 VAL 28 46.815 17.028 12.914 230 HG23 VAL 28 HG23 VAL 28 47.596 15.462 12.705 231 H ASP 29 H ASP 29 46.598 13.850 17.390 232 HA ASP 29 HA ASP 29 43.741 13.094 17.377 233 HB2 ASP 29 HB2 ASP 29 45.180 11.071 17.689 234 HB3 ASP 29 HB3 ASP 29 45.865 11.827 19.126 235 H TYR 30 H TYR 30 42.554 14.274 18.805 236 HA TYR 30 HA TYR 30 44.047 15.967 20.728 237 HB2 TYR 30 HB2 TYR 30 42.215 17.554 20.554 238 HB3 TYR 30 HB3 TYR 30 42.929 17.238 18.986 239 HD1 TYR 30 HD1 TYR 30 39.937 17.020 21.049 240 HD2 TYR 30 HD2 TYR 30 41.709 15.851 17.313 241 HE1 TYR 30 HE1 TYR 30 37.691 16.454 20.161 242 HE2 TYR 30 HE2 TYR 30 39.463 15.286 16.426 243 HH TYR 30 HH TYR 30 36.655 16.242 17.838 244 H LEU 31 H LEU 31 43.514 15.946 22.842 245 HA LEU 31 HA LEU 31 41.439 14.013 23.682 246 HB2 LEU 31 HB2 LEU 31 43.773 13.351 24.160 247 HB3 LEU 31 HB3 LEU 31 43.972 14.816 25.119 248 HG LEU 31 HG LEU 31 41.895 13.978 26.442 249 HD11 LEU 31 HD11 LEU 31 41.051 12.194 25.186 250 HD12 LEU 31 HD12 LEU 31 42.005 11.359 26.413 251 HD13 LEU 31 HD13 LEU 31 42.658 11.584 24.790 252 HD21 LEU 31 HD21 LEU 31 43.341 12.620 27.894 253 HD22 LEU 31 HD22 LEU 31 44.216 14.037 27.313 254 HD23 LEU 31 HD23 LEU 31 44.517 12.458 26.589 255 HA PRO 32 HA PRO 32 39.688 17.910 25.472 256 HB2 PRO 32 HB2 PRO 32 37.918 15.893 26.780 257 HB3 PRO 32 HB3 PRO 32 37.492 17.410 25.962 258 HG2 PRO 32 HG2 PRO 32 37.091 15.055 24.803 259 HG3 PRO 32 HG3 PRO 32 37.599 16.475 23.872 260 HD2 PRO 32 HD2 PRO 32 39.197 14.090 24.672 261 HD3 PRO 32 HD3 PRO 32 39.348 15.122 23.235 262 H LEU 33 H LEU 33 40.228 18.886 27.352 263 HA LEU 33 HA LEU 33 41.998 17.688 29.161 264 HB2 LEU 33 HB2 LEU 33 40.462 20.250 29.077 265 HB3 LEU 33 HB3 LEU 33 41.209 19.789 30.606 266 HG LEU 33 HG LEU 33 42.752 19.781 28.006 267 HD11 LEU 33 HD11 LEU 33 43.732 21.962 28.950 268 HD12 LEU 33 HD12 LEU 33 42.301 22.029 29.981 269 HD13 LEU 33 HD13 LEU 33 42.127 22.074 28.226 270 HD21 LEU 33 HD21 LEU 33 43.862 18.520 29.656 271 HD22 LEU 33 HD22 LEU 33 43.366 19.612 30.949 272 HD23 LEU 33 HD23 LEU 33 44.599 20.115 29.791 273 H ASP 34 H ASP 34 38.633 17.215 29.057 274 HA ASP 34 HA ASP 34 38.185 17.059 31.890 275 HB2 ASP 34 HB2 ASP 34 36.551 16.088 29.544 276 HB3 ASP 34 HB3 ASP 34 36.010 16.057 31.221 277 H TYR 35 H TYR 35 39.857 14.939 29.849 278 HA TYR 35 HA TYR 35 38.828 12.452 30.695 279 HB2 TYR 35 HB2 TYR 35 41.299 13.397 29.351 280 HB3 TYR 35 HB3 TYR 35 41.360 11.803 30.078 281 HD1 TYR 35 HD1 TYR 35 40.627 9.966 28.850 282 HD2 TYR 35 HD2 TYR 35 39.215 13.889 27.818 283 HE1 TYR 35 HE1 TYR 35 39.464 9.026 26.872 284 HE2 TYR 35 HE2 TYR 35 38.053 12.950 25.839 285 HH TYR 35 HH TYR 35 38.574 10.510 24.412 286 HA PRO 36 HA PRO 36 40.618 12.377 34.776 287 HB2 PRO 36 HB2 PRO 36 40.389 9.774 35.444 288 HB3 PRO 36 HB3 PRO 36 38.967 10.818 35.247 289 HG2 PRO 36 HG2 PRO 36 40.096 8.795 33.386 290 HG3 PRO 36 HG3 PRO 36 38.405 9.180 33.747 291 HD2 PRO 36 HD2 PRO 36 39.764 10.093 31.511 292 HD3 PRO 36 HD3 PRO 36 38.321 10.863 32.199 293 H ALA 37 H ALA 37 42.437 11.675 36.021 294 HA ALA 37 HA ALA 37 44.853 11.515 34.663 295 HB1 ALA 37 HB1 ALA 37 44.265 11.988 37.195 296 HB2 ALA 37 HB2 ALA 37 45.854 11.376 36.738 297 HB3 ALA 37 HB3 ALA 37 44.633 10.273 37.372 298 H GLY 38 H GLY 38 46.389 9.834 34.398 299 HA2 GLY 38 HA2 GLY 38 47.058 7.572 34.271 300 HA3 GLY 38 HA3 GLY 38 45.395 7.083 34.577 301 H GLU 39 H GLU 39 44.179 8.790 32.564 302 HA GLU 39 HA GLU 39 44.301 6.989 30.391 303 HB2 GLU 39 HB2 GLU 39 43.176 9.791 30.557 304 HB3 GLU 39 HB3 GLU 39 42.929 8.698 29.195 305 HG2 GLU 39 HG2 GLU 39 42.147 8.122 32.067 306 HG3 GLU 39 HG3 GLU 39 41.041 8.601 30.787 307 H LEU 40 H LEU 40 45.923 10.071 30.996 308 HA LEU 40 HA LEU 40 46.832 10.579 28.383 309 HB2 LEU 40 HB2 LEU 40 46.953 12.195 30.274 310 HB3 LEU 40 HB3 LEU 40 48.237 11.222 30.989 311 HG LEU 40 HG LEU 40 49.507 11.510 28.797 312 HD11 LEU 40 HD11 LEU 40 47.746 12.175 27.313 313 HD12 LEU 40 HD12 LEU 40 48.777 13.591 27.521 314 HD13 LEU 40 HD13 LEU 40 47.245 13.479 28.389 315 HD21 LEU 40 HD21 LEU 40 48.899 14.131 30.175 316 HD22 LEU 40 HD22 LEU 40 50.433 13.590 29.492 317 HD23 LEU 40 HD23 LEU 40 49.815 12.851 30.970 318 H LEU 41 H LEU 41 48.314 8.756 31.055 319 HA LEU 41 HA LEU 41 50.758 8.216 29.743 320 HB2 LEU 41 HB2 LEU 41 50.353 7.974 32.198 321 HB3 LEU 41 HB3 LEU 41 49.396 6.532 31.858 322 HG LEU 41 HG LEU 41 51.466 5.653 30.608 323 HD11 LEU 41 HD11 LEU 41 53.593 6.704 31.685 324 HD12 LEU 41 HD12 LEU 41 52.557 8.098 31.989 325 HD13 LEU 41 HD13 LEU 41 52.832 7.547 30.337 326 HD21 LEU 41 HD21 LEU 41 51.027 4.559 32.624 327 HD22 LEU 41 HD22 LEU 41 51.210 6.031 33.579 328 HD23 LEU 41 HD23 LEU 41 52.634 5.218 32.926 329 H ALA 42 H ALA 42 47.742 6.338 29.967 330 HA ALA 42 HA ALA 42 48.720 4.023 28.693 331 HB1 ALA 42 HB1 ALA 42 45.889 5.102 28.738 332 HB2 ALA 42 HB2 ALA 42 46.613 4.063 29.966 333 HB3 ALA 42 HB3 ALA 42 46.356 3.450 28.333 334 H ARG 43 H ARG 43 47.079 6.884 27.372 335 HA ARG 43 HA ARG 43 46.881 5.968 24.716 336 HB2 ARG 43 HB2 ARG 43 45.684 7.954 25.621 337 HB3 ARG 43 HB3 ARG 43 47.216 8.826 25.661 338 HG2 ARG 43 HG2 ARG 43 47.461 8.446 23.211 339 HG3 ARG 43 HG3 ARG 43 45.874 7.675 23.197 340 HD2 ARG 43 HD2 ARG 43 46.427 10.522 24.079 341 HD3 ARG 43 HD3 ARG 43 45.733 10.054 22.528 342 HE ARG 43 HE ARG 43 44.365 10.194 25.046 343 HH11 ARG 43 HH11 ARG 43 44.386 8.498 21.973 344 HH12 ARG 43 HH12 ARG 43 42.713 8.064 22.086 345 HH21 ARG 43 HH21 ARG 43 42.214 9.601 25.139 346 HH22 ARG 43 HH22 ARG 43 41.500 8.682 23.856 347 H VAL 44 H VAL 44 49.471 7.738 26.388 348 HA VAL 44 HA VAL 44 51.031 8.283 24.112 349 HB VAL 44 HB VAL 44 51.895 7.864 26.986 350 HG11 VAL 44 HG11 VAL 44 53.898 9.129 26.397 351 HG12 VAL 44 HG12 VAL 44 53.335 9.302 24.734 352 HG13 VAL 44 HG13 VAL 44 53.781 7.712 25.353 353 HG21 VAL 44 HG21 VAL 44 51.490 10.132 27.330 354 HG22 VAL 44 HG22 VAL 44 50.165 9.718 26.245 355 HG23 VAL 44 HG23 VAL 44 51.598 10.522 25.614 356 H ARG 45 H ARG 45 51.065 5.518 26.344 357 HA ARG 45 HA ARG 45 53.323 4.256 25.179 358 HB2 ARG 45 HB2 ARG 45 52.472 3.808 27.472 359 HB3 ARG 45 HB3 ARG 45 51.085 2.981 26.763 360 HG2 ARG 45 HG2 ARG 45 52.656 1.425 25.601 361 HG3 ARG 45 HG3 ARG 45 53.999 2.205 26.438 362 HD2 ARG 45 HD2 ARG 45 51.658 0.829 27.785 363 HD3 ARG 45 HD3 ARG 45 53.276 0.155 27.616 364 HE ARG 45 HE ARG 45 52.438 2.246 29.454 365 HH11 ARG 45 HH11 ARG 45 55.173 0.666 27.922 366 HH12 ARG 45 HH12 ARG 45 56.289 1.204 29.132 367 HH21 ARG 45 HH21 ARG 45 53.922 2.908 30.982 368 HH22 ARG 45 HH22 ARG 45 55.588 2.458 30.842 369 H ALA 46 H ALA 46 49.826 3.601 24.795 370 HA ALA 46 HA ALA 46 50.215 1.362 23.098 371 HB1 ALA 46 HB1 ALA 46 47.864 1.337 22.847 372 HB2 ALA 46 HB2 ALA 46 47.729 3.065 23.174 373 HB3 ALA 46 HB3 ALA 46 48.146 1.951 24.476 374 H GLU 47 H GLU 47 49.416 4.770 22.406 375 HA GLU 47 HA GLU 47 49.334 4.312 19.563 376 HB2 GLU 47 HB2 GLU 47 49.367 6.865 21.178 377 HB3 GLU 47 HB3 GLU 47 49.111 6.778 19.435 378 HG2 GLU 47 HG2 GLU 47 47.157 5.287 19.827 379 HG3 GLU 47 HG3 GLU 47 47.387 5.474 21.560 380 H ARG 48 H ARG 48 51.942 4.710 21.723 381 HA ARG 48 HA ARG 48 54.163 5.218 21.441 382 HB2 ARG 48 HB2 ARG 48 53.490 4.403 18.604 383 HB3 ARG 48 HB3 ARG 48 55.125 4.586 19.239 384 HG2 ARG 48 HG2 ARG 48 54.636 2.877 20.964 385 HG3 ARG 48 HG3 ARG 48 53.021 2.668 20.285 386 HD2 ARG 48 HD2 ARG 48 54.410 0.929 19.366 387 HD3 ARG 48 HD3 ARG 48 54.110 2.098 18.083 388 HE ARG 48 HE ARG 48 56.514 2.680 19.536 389 HH11 ARG 48 HH11 ARG 48 55.229 0.652 16.975 390 HH12 ARG 48 HH12 ARG 48 56.775 0.453 16.221 391 HH21 ARG 48 HH21 ARG 48 58.478 2.387 18.522 392 HH22 ARG 48 HH22 ARG 48 58.592 1.423 17.087 393 H LEU 49 H LEU 49 52.917 7.468 21.725 394 HA LEU 49 HA LEU 49 52.966 9.204 19.430 395 HB2 LEU 49 HB2 LEU 49 52.685 9.849 22.377 396 HB3 LEU 49 HB3 LEU 49 52.474 11.009 21.070 397 HG LEU 49 HG LEU 49 50.835 8.478 21.416 398 HD11 LEU 49 HD11 LEU 49 49.035 10.351 21.811 399 HD12 LEU 49 HD12 LEU 49 50.428 11.347 22.229 400 HD13 LEU 49 HD13 LEU 49 50.087 9.880 23.144 401 HD21 LEU 49 HD21 LEU 49 49.377 9.916 19.749 402 HD22 LEU 49 HD22 LEU 49 50.733 8.976 19.130 403 HD23 LEU 49 HD23 LEU 49 50.914 10.710 19.399 404 H ASN 50 H ASN 50 54.359 10.822 18.917 405 HA ASN 50 HA ASN 50 57.080 10.519 19.930 406 HB2 ASN 50 HB2 ASN 50 55.956 12.184 17.667 407 HB3 ASN 50 HB3 ASN 50 57.663 12.048 18.071 408 HD21 ASN 50 HD21 ASN 50 58.788 10.362 17.086 409 HD22 ASN 50 HD22 ASN 50 58.054 9.060 16.286 410 H GLY 51 H GLY 51 54.481 12.940 19.754 411 HA2 GLY 51 HA2 GLY 51 55.991 14.625 21.638 412 HA3 GLY 51 HA3 GLY 51 55.632 15.314 20.063 413 H LEU 52 H LEU 52 54.831 16.562 22.297 414 HA LEU 52 HA LEU 52 51.890 16.216 22.289 415 HB2 LEU 52 HB2 LEU 52 53.583 17.075 24.650 416 HB3 LEU 52 HB3 LEU 52 51.832 16.887 24.634 417 HG LEU 52 HG LEU 52 53.812 14.649 24.107 418 HD11 LEU 52 HD11 LEU 52 53.748 15.575 26.476 419 HD12 LEU 52 HD12 LEU 52 53.320 13.870 26.328 420 HD13 LEU 52 HD13 LEU 52 52.055 15.081 26.537 421 HD21 LEU 52 HD21 LEU 52 51.735 13.248 24.443 422 HD22 LEU 52 HD22 LEU 52 51.702 14.243 22.988 423 HD23 LEU 52 HD23 LEU 52 50.795 14.739 24.416 424 H VAL 53 H VAL 53 50.682 18.129 22.246 425 HA VAL 53 HA VAL 53 52.230 20.639 21.906 426 HB VAL 53 HB VAL 53 49.677 19.845 20.477 427 HG11 VAL 53 HG11 VAL 53 49.975 22.291 20.906 428 HG12 VAL 53 HG12 VAL 53 50.016 21.886 19.190 429 HG13 VAL 53 HG13 VAL 53 51.518 22.219 20.054 430 HG21 VAL 53 HG21 VAL 53 52.349 20.283 19.163 431 HG22 VAL 53 HG22 VAL 53 50.946 19.412 18.551 432 HG23 VAL 53 HG23 VAL 53 51.942 18.697 19.815 433 H VAL 54 H VAL 54 51.640 22.295 23.201 434 HA VAL 54 HA VAL 54 48.921 22.240 24.392 435 HB VAL 54 HB VAL 54 49.902 23.548 26.306 436 HG11 VAL 54 HG11 VAL 54 49.354 21.392 26.894 437 HG12 VAL 54 HG12 VAL 54 51.086 21.376 27.221 438 HG13 VAL 54 HG13 VAL 54 50.462 20.667 25.730 439 HG21 VAL 54 HG21 VAL 54 52.212 23.661 26.669 440 HG22 VAL 54 HG22 VAL 54 52.080 23.980 24.939 441 HG23 VAL 54 HG23 VAL 54 52.559 22.379 25.507 442 H SER 55 H SER 55 47.743 24.046 24.273 443 HA SER 55 HA SER 55 48.788 26.234 22.653 444 HB2 SER 55 HB2 SER 55 46.518 26.939 22.425 445 HB3 SER 55 HB3 SER 55 46.531 25.186 22.263 446 HG SER 55 HG SER 55 45.922 26.644 24.565 447 H SER 56 H SER 56 48.326 25.595 26.026 448 HA SER 56 HA SER 56 49.017 28.338 26.671 449 HB2 SER 56 HB2 SER 56 47.066 28.847 27.979 450 HB3 SER 56 HB3 SER 56 46.529 28.379 26.370 451 HG SER 56 HG SER 56 45.932 26.455 27.199 452 H GLY 57 H GLY 57 49.407 28.665 28.967 453 HA2 GLY 57 HA2 GLY 57 50.900 26.645 30.181 454 HA3 GLY 57 HA3 GLY 57 50.251 28.049 31.021 455 H GLN 58 H GLN 58 47.464 27.456 30.530 456 HA GLN 58 HA GLN 58 46.907 25.908 32.805 457 HB2 GLN 58 HB2 GLN 58 45.142 26.605 30.448 458 HB3 GLN 58 HB3 GLN 58 44.561 25.904 31.959 459 HG2 GLN 58 HG2 GLN 58 45.404 27.824 33.213 460 HG3 GLN 58 HG3 GLN 58 46.084 28.515 31.742 461 HE21 GLN 58 HE21 GLN 58 44.150 29.933 33.307 462 HE22 GLN 58 HE22 GLN 58 42.723 30.065 32.398 463 H GLY 59 H GLY 59 46.742 25.031 29.345 464 HA2 GLY 59 HA2 GLY 59 45.875 22.387 29.674 465 HA3 GLY 59 HA3 GLY 59 46.808 22.985 28.303 466 H LEU 60 H LEU 60 49.150 23.768 29.634 467 HA LEU 60 HA LEU 60 50.603 21.373 29.650 468 HB2 LEU 60 HB2 LEU 60 51.575 23.633 29.295 469 HB3 LEU 60 HB3 LEU 60 51.336 23.978 31.007 470 HG LEU 60 HG LEU 60 52.735 21.910 31.501 471 HD11 LEU 60 HD11 LEU 60 52.750 20.666 29.518 472 HD12 LEU 60 HD12 LEU 60 54.329 21.451 29.475 473 HD13 LEU 60 HD13 LEU 60 52.999 22.092 28.511 474 HD21 LEU 60 HD21 LEU 60 54.703 23.162 31.475 475 HD22 LEU 60 HD22 LEU 60 53.489 24.431 31.333 476 HD23 LEU 60 HD23 LEU 60 54.351 23.873 29.900 477 H GLN 61 H GLN 61 49.407 23.332 32.363 478 HA GLN 61 HA GLN 61 50.539 21.774 34.425 479 HB2 GLN 61 HB2 GLN 61 48.039 23.480 34.460 480 HB3 GLN 61 HB3 GLN 61 48.854 22.850 35.890 481 HG2 GLN 61 HG2 GLN 61 50.077 24.720 33.839 482 HG3 GLN 61 HG3 GLN 61 49.531 25.177 35.448 483 HE21 GLN 61 HE21 GLN 61 52.335 24.736 33.900 484 HE22 GLN 61 HE22 GLN 61 53.273 24.029 35.124 485 H ASN 62 H ASN 62 47.352 21.634 32.871 486 HA ASN 62 HA ASN 62 46.235 19.575 34.412 487 HB2 ASN 62 HB2 ASN 62 45.834 20.160 31.475 488 HB3 ASN 62 HB3 ASN 62 44.756 19.200 32.487 489 HD21 ASN 62 HD21 ASN 62 44.449 21.939 31.058 490 HD22 ASN 62 HD22 ASN 62 43.844 22.954 32.277 491 H LEU 63 H LEU 63 48.278 19.458 31.518 492 HA LEU 63 HA LEU 63 48.215 16.712 31.005 493 HB2 LEU 63 HB2 LEU 63 49.267 18.454 29.548 494 HB3 LEU 63 HB3 LEU 63 50.595 18.562 30.702 495 HG LEU 63 HG LEU 63 50.758 15.967 30.365 496 HD11 LEU 63 HD11 LEU 63 50.001 15.188 28.199 497 HD12 LEU 63 HD12 LEU 63 49.431 16.800 27.772 498 HD13 LEU 63 HD13 LEU 63 48.622 15.887 29.044 499 HD21 LEU 63 HD21 LEU 63 52.567 17.357 29.673 500 HD22 LEU 63 HD22 LEU 63 51.609 18.087 28.384 501 HD23 LEU 63 HD23 LEU 63 52.140 16.411 28.246 502 H TYR 64 H TYR 64 50.274 18.597 33.180 503 HA TYR 64 HA TYR 64 51.978 16.551 34.055 504 HB2 TYR 64 HB2 TYR 64 52.179 19.021 34.501 505 HB3 TYR 64 HB3 TYR 64 50.916 18.848 35.703 506 HD1 TYR 64 HD1 TYR 64 51.351 17.699 37.828 507 HD2 TYR 64 HD2 TYR 64 54.420 18.156 34.854 508 HE1 TYR 64 HE1 TYR 64 53.074 17.104 39.510 509 HE2 TYR 64 HE2 TYR 64 56.131 17.567 36.527 510 HH TYR 64 HH TYR 64 55.592 16.088 39.251 511 H GLN 65 H GLN 65 48.865 17.666 35.346 512 HA GLN 65 HA GLN 65 48.785 15.963 37.589 513 HB2 GLN 65 HB2 GLN 65 46.528 17.182 35.984 514 HB3 GLN 65 HB3 GLN 65 46.330 16.397 37.552 515 HG2 GLN 65 HG2 GLN 65 47.842 18.013 38.589 516 HG3 GLN 65 HG3 GLN 65 48.144 18.768 37.027 517 HE21 GLN 65 HE21 GLN 65 47.072 20.260 39.220 518 HE22 GLN 65 HE22 GLN 65 45.478 20.701 38.836 519 H LEU 66 H LEU 66 47.518 15.526 34.301 520 HA LEU 66 HA LEU 66 46.320 13.008 34.782 521 HB2 LEU 66 HB2 LEU 66 47.339 14.224 32.204 522 HB3 LEU 66 HB3 LEU 66 46.362 12.760 32.299 523 HG LEU 66 HG LEU 66 45.498 15.454 33.392 524 HD11 LEU 66 HD11 LEU 66 45.091 14.100 30.738 525 HD12 LEU 66 HD12 LEU 66 45.445 15.794 31.075 526 HD13 LEU 66 HD13 LEU 66 43.830 15.152 31.382 527 HD21 LEU 66 HD21 LEU 66 44.183 12.748 33.100 528 HD22 LEU 66 HD22 LEU 66 43.234 14.225 33.265 529 HD23 LEU 66 HD23 LEU 66 44.333 13.735 34.554 530 H ALA 67 H ALA 67 49.577 13.925 33.791 531 HA ALA 67 HA ALA 67 50.571 11.405 33.084 532 HB1 ALA 67 HB1 ALA 67 51.866 13.862 34.260 533 HB2 ALA 67 HB2 ALA 67 51.915 13.295 32.591 534 HB3 ALA 67 HB3 ALA 67 52.794 12.421 33.847 535 H ALA 68 H ALA 68 50.346 13.001 36.248 536 HA ALA 68 HA ALA 68 50.361 12.131 38.370 537 HB1 ALA 68 HB1 ALA 68 49.951 9.348 37.405 538 HB2 ALA 68 HB2 ALA 68 48.743 10.531 36.907 539 HB3 ALA 68 HB3 ALA 68 49.060 10.262 38.622 540 H ALA 69 H ALA 69 51.368 9.138 38.725 541 HA ALA 69 HA ALA 69 53.938 9.895 39.572 542 HB1 ALA 69 HB1 ALA 69 53.032 8.051 40.674 543 HB2 ALA 69 HB2 ALA 69 54.258 7.323 39.635 544 HB3 ALA 69 HB3 ALA 69 52.558 7.259 39.171 545 H ASP 70 H ASP 70 52.863 9.037 36.390 546 HA ASP 70 HA ASP 70 55.487 7.987 35.610 547 HB2 ASP 70 HB2 ASP 70 52.913 8.269 34.055 548 HB3 ASP 70 HB3 ASP 70 54.385 7.499 33.462 549 H TRP 71 H TRP 71 54.548 11.053 36.042 550 HA TRP 71 HA TRP 71 54.884 12.443 33.708 551 HB2 TRP 71 HB2 TRP 71 54.317 13.626 35.657 552 HB3 TRP 71 HB3 TRP 71 55.735 13.079 36.516 553 HD1 TRP 71 HD1 TRP 71 57.537 14.828 36.738 554 HE1 TRP 71 HE1 TRP 71 58.225 16.954 35.461 555 HE3 TRP 71 HE3 TRP 71 54.201 14.672 32.872 556 HZ2 TRP 71 HZ2 TRP 71 57.485 18.393 33.106 557 HZ3 TRP 71 HZ3 TRP 71 54.221 16.426 31.126 558 HH2 TRP 71 HH2 TRP 71 55.858 18.286 31.235 559 HA PRO 72 HA PRO 72 59.826 12.298 34.359 560 HB2 PRO 72 HB2 PRO 72 59.751 9.374 35.012 561 HB3 PRO 72 HB3 PRO 72 60.945 10.602 35.473 562 HG2 PRO 72 HG2 PRO 72 59.099 9.735 37.185 563 HG3 PRO 72 HG3 PRO 72 59.660 11.416 37.179 564 HD2 PRO 72 HD2 PRO 72 57.050 10.321 36.321 565 HD3 PRO 72 HD3 PRO 72 57.474 11.967 36.838 566 H GLU 73 H GLU 73 57.799 9.552 33.253 567 HA GLU 73 HA GLU 73 59.539 8.995 31.009 568 HB2 GLU 73 HB2 GLU 73 56.760 8.006 31.690 569 HB3 GLU 73 HB3 GLU 73 57.745 7.407 30.354 570 HG2 GLU 73 HG2 GLU 73 58.544 7.342 33.278 571 HG3 GLU 73 HG3 GLU 73 57.942 5.966 32.362 572 H ILE 74 H ILE 74 56.306 10.416 31.432 573 HA ILE 74 HA ILE 74 55.741 10.831 28.715 574 HB ILE 74 HB ILE 74 54.783 12.335 31.164 575 HG12 ILE 74 HG12 ILE 74 53.449 10.133 29.571 576 HG13 ILE 74 HG13 ILE 74 54.420 9.823 31.006 577 HG21 ILE 74 HG21 ILE 74 52.923 13.097 29.817 578 HG22 ILE 74 HG22 ILE 74 53.491 12.175 28.423 579 HG23 ILE 74 HG23 ILE 74 54.409 13.570 28.995 580 HD11 ILE 74 HD11 ILE 74 52.169 11.817 31.125 581 HD12 ILE 74 HD12 ILE 74 52.894 10.878 32.429 582 HD13 ILE 74 HD13 ILE 74 51.834 10.092 31.261 583 H GLY 75 H GLY 75 57.515 12.809 31.015 584 HA2 GLY 75 HA2 GLY 75 57.546 15.199 29.461 585 HA3 GLY 75 HA3 GLY 75 58.553 14.852 30.855 586 H ARG 76 H ARG 76 59.077 12.307 28.789 587 HA ARG 76 HA ARG 76 61.531 13.520 27.795 588 HB2 ARG 76 HB2 ARG 76 60.571 10.659 27.724 589 HB3 ARG 76 HB3 ARG 76 62.161 11.218 27.188 590 HG2 ARG 76 HG2 ARG 76 62.512 12.200 29.478 591 HG3 ARG 76 HG3 ARG 76 61.007 11.445 29.978 592 HD2 ARG 76 HD2 ARG 76 63.477 10.014 28.972 593 HD3 ARG 76 HD3 ARG 76 62.895 10.059 30.631 594 HE ARG 76 HE ARG 76 61.178 8.568 30.050 595 HH11 ARG 76 HH11 ARG 76 62.997 9.462 27.177 596 HH12 ARG 76 HH12 ARG 76 62.302 8.192 26.230 597 HH21 ARG 76 HH21 ARG 76 60.326 6.957 28.774 598 HH22 ARG 76 HH22 ARG 76 60.812 6.794 27.119 599 H LEU 77 H LEU 77 58.427 13.261 26.550 600 HA LEU 77 HA LEU 77 59.324 13.012 23.794 601 HB2 LEU 77 HB2 LEU 77 56.603 13.673 24.947 602 HB3 LEU 77 HB3 LEU 77 56.941 13.408 23.237 603 HG LEU 77 HG LEU 77 57.700 11.332 25.283 604 HD11 LEU 77 HD11 LEU 77 55.010 11.698 23.931 605 HD12 LEU 77 HD12 LEU 77 55.330 11.741 25.665 606 HD13 LEU 77 HD13 LEU 77 55.511 10.231 24.771 607 HD21 LEU 77 HD21 LEU 77 57.748 9.878 23.414 608 HD22 LEU 77 HD22 LEU 77 58.456 11.374 22.808 609 HD23 LEU 77 HD23 LEU 77 56.781 10.975 22.429 610 HA PRO 78 HA PRO 78 60.143 17.467 23.373 611 HB2 PRO 78 HB2 PRO 78 58.897 17.146 20.676 612 HB3 PRO 78 HB3 PRO 78 60.448 17.884 21.127 613 HG2 PRO 78 HG2 PRO 78 60.354 15.495 19.989 614 HG3 PRO 78 HG3 PRO 78 61.529 15.861 21.266 615 HD2 PRO 78 HD2 PRO 78 59.038 14.230 21.424 616 HD3 PRO 78 HD3 PRO 78 60.572 14.032 22.297 617 H LEU 79 H LEU 79 58.877 19.100 24.123 618 HA LEU 79 HA LEU 79 55.961 18.954 23.661 619 HB2 LEU 79 HB2 LEU 79 56.793 19.044 26.017 620 HB3 LEU 79 HB3 LEU 79 57.471 20.635 25.671 621 HG LEU 79 HG LEU 79 55.137 21.333 24.924 622 HD11 LEU 79 HD11 LEU 79 54.541 18.643 26.175 623 HD12 LEU 79 HD12 LEU 79 54.085 19.214 24.570 624 HD13 LEU 79 HD13 LEU 79 53.317 19.901 26.001 625 HD21 LEU 79 HD21 LEU 79 54.556 21.973 27.105 626 HD22 LEU 79 HD22 LEU 79 56.285 21.663 27.253 627 HD23 LEU 79 HD23 LEU 79 55.123 20.456 27.804 628 H PHE 80 H PHE 80 55.022 20.345 22.325 629 HA PHE 80 HA PHE 80 56.522 22.623 21.246 630 HB2 PHE 80 HB2 PHE 80 53.804 21.477 20.576 631 HB3 PHE 80 HB3 PHE 80 54.531 22.842 19.763 632 HD1 PHE 80 HD1 PHE 80 54.026 19.356 19.695 633 HD2 PHE 80 HD2 PHE 80 56.932 22.364 18.713 634 HE1 PHE 80 HE1 PHE 80 55.092 17.798 18.089 635 HE2 PHE 80 HE2 PHE 80 57.995 20.807 17.101 636 HZ PHE 80 HZ PHE 80 57.064 18.531 16.780 637 H VAL 81 H VAL 81 56.213 24.650 22.046 638 HA VAL 81 HA VAL 81 53.672 25.235 23.457 639 HB VAL 81 HB VAL 81 54.934 26.764 24.898 640 HG11 VAL 81 HG11 VAL 81 54.615 24.526 25.728 641 HG12 VAL 81 HG12 VAL 81 56.277 24.987 26.097 642 HG13 VAL 81 HG13 VAL 81 55.941 23.913 24.739 643 HG21 VAL 81 HG21 VAL 81 57.475 25.591 23.771 644 HG22 VAL 81 HG22 VAL 81 57.276 27.008 24.796 645 HG23 VAL 81 HG23 VAL 81 56.797 27.077 23.107 646 HA PRO 82 HA PRO 82 53.237 28.402 20.478 647 HB2 PRO 82 HB2 PRO 82 51.504 30.111 21.651 648 HB3 PRO 82 HB3 PRO 82 51.036 28.472 21.158 649 HG2 PRO 82 HG2 PRO 82 51.644 29.530 23.856 650 HG3 PRO 82 HG3 PRO 82 50.470 28.302 23.358 651 HD2 PRO 82 HD2 PRO 82 52.973 27.770 24.476 652 HD3 PRO 82 HD3 PRO 82 51.981 26.606 23.577 653 H SER 83 H SER 83 54.643 29.288 23.532 654 HA SER 83 HA SER 83 55.716 31.746 22.375 655 HB2 SER 83 HB2 SER 83 54.810 33.232 23.971 656 HB3 SER 83 HB3 SER 83 53.450 32.238 23.464 657 HG SER 83 HG SER 83 53.474 32.207 25.647 658 HA PRO 84 HA PRO 84 59.254 30.904 24.913 659 HB2 PRO 84 HB2 PRO 84 59.195 33.683 25.973 660 HB3 PRO 84 HB3 PRO 84 60.496 32.822 25.129 661 HG2 PRO 84 HG2 PRO 84 59.082 34.729 23.931 662 HG3 PRO 84 HG3 PRO 84 59.651 33.297 23.054 663 HD2 PRO 84 HD2 PRO 84 56.893 33.926 24.029 664 HD3 PRO 84 HD3 PRO 84 57.403 33.067 22.558 665 H ARG 85 H ARG 85 56.797 32.924 26.544 666 HA ARG 85 HA ARG 85 57.530 32.344 29.188 667 HB2 ARG 85 HB2 ARG 85 54.807 32.978 28.030 668 HB3 ARG 85 HB3 ARG 85 55.185 32.973 29.754 669 HG2 ARG 85 HG2 ARG 85 56.973 34.667 29.320 670 HG3 ARG 85 HG3 ARG 85 56.449 34.738 27.637 671 HD2 ARG 85 HD2 ARG 85 54.758 35.404 30.062 672 HD3 ARG 85 HD3 ARG 85 55.417 36.557 28.907 673 HE ARG 85 HE ARG 85 53.857 34.620 27.545 674 HH11 ARG 85 HH11 ARG 85 53.456 37.391 29.664 675 HH12 ARG 85 HH12 ARG 85 51.878 37.757 29.052 676 HH21 ARG 85 HH21 ARG 85 51.821 35.141 26.796 677 HH22 ARG 85 HH22 ARG 85 50.965 36.498 27.448 678 H VAL 86 H VAL 86 55.147 30.716 27.082 679 HA VAL 86 HA VAL 86 54.382 28.738 28.932 680 HB VAL 86 HB VAL 86 54.487 28.542 25.911 681 HG11 VAL 86 HG11 VAL 86 52.570 26.919 26.351 682 HG12 VAL 86 HG12 VAL 86 53.042 26.954 28.049 683 HG13 VAL 86 HG13 VAL 86 54.165 26.345 26.836 684 HG21 VAL 86 HG21 VAL 86 52.167 29.307 27.704 685 HG22 VAL 86 HG22 VAL 86 52.225 29.368 25.942 686 HG23 VAL 86 HG23 VAL 86 53.194 30.490 26.896 687 H ALA 87 H ALA 87 57.065 28.855 26.611 688 HA ALA 87 HA ALA 87 58.019 26.242 26.879 689 HB1 ALA 87 HB1 ALA 87 58.808 28.308 25.410 690 HB2 ALA 87 HB2 ALA 87 59.919 26.997 25.808 691 HB3 ALA 87 HB3 ALA 87 59.968 28.504 26.723 692 H GLU 88 H GLU 88 58.634 29.116 28.853 693 HA GLU 88 HA GLU 88 60.538 27.998 30.593 694 HB2 GLU 88 HB2 GLU 88 58.484 30.162 31.106 695 HB3 GLU 88 HB3 GLU 88 59.849 29.798 32.163 696 HG2 GLU 88 HG2 GLU 88 61.397 30.227 30.264 697 HG3 GLU 88 HG3 GLU 88 60.020 30.670 29.266 698 H MET 89 H MET 89 56.993 28.035 30.733 699 HA MET 89 HA MET 89 56.651 26.893 33.273 700 HB2 MET 89 HB2 MET 89 54.975 26.528 30.772 701 HB3 MET 89 HB3 MET 89 54.455 26.122 32.403 702 HG2 MET 89 HG2 MET 89 55.283 28.889 31.479 703 HG3 MET 89 HG3 MET 89 53.620 28.349 31.688 704 HE1 MET 89 HE1 MET 89 53.013 27.888 35.289 705 HE2 MET 89 HE2 MET 89 53.863 26.542 34.537 706 HE3 MET 89 HE3 MET 89 52.661 27.443 33.614 707 H ALA 90 H ALA 90 57.025 25.363 30.098 708 HA ALA 90 HA ALA 90 56.678 22.695 30.938 709 HB1 ALA 90 HB1 ALA 90 58.279 23.792 28.617 710 HB2 ALA 90 HB2 ALA 90 56.578 23.331 28.585 711 HB3 ALA 90 HB3 ALA 90 57.820 22.101 28.823 712 H ARG 91 H ARG 91 59.601 24.679 30.634 713 HA ARG 91 HA ARG 91 61.463 22.657 31.245 714 HB2 ARG 91 HB2 ARG 91 62.041 24.887 30.288 715 HB3 ARG 91 HB3 ARG 91 61.697 25.613 31.858 716 HG2 ARG 91 HG2 ARG 91 63.439 24.249 32.905 717 HG3 ARG 91 HG3 ARG 91 63.755 23.439 31.370 718 HD2 ARG 91 HD2 ARG 91 65.422 25.160 31.631 719 HD3 ARG 91 HD3 ARG 91 64.297 25.694 30.384 720 HE ARG 91 HE ARG 91 63.540 27.369 31.822 721 HH11 ARG 91 HH11 ARG 91 65.676 25.210 33.583 722 HH12 ARG 91 HH12 ARG 91 65.787 26.271 34.947 723 HH21 ARG 91 HH21 ARG 91 63.721 28.694 33.606 724 HH22 ARG 91 HH22 ARG 91 64.694 28.219 34.959 725 H GLU 92 H GLU 92 59.725 24.941 33.342 726 HA GLU 92 HA GLU 92 61.069 24.346 35.731 727 HB2 GLU 92 HB2 GLU 92 59.508 26.267 35.379 728 HB3 GLU 92 HB3 GLU 92 58.161 25.130 35.450 729 HG2 GLU 92 HG2 GLU 92 58.929 24.411 37.707 730 HG3 GLU 92 HG3 GLU 92 60.197 25.626 37.639 731 H LEU 93 H LEU 93 58.289 22.774 34.197 732 HA LEU 93 HA LEU 93 57.713 20.990 36.318 733 HB2 LEU 93 HB2 LEU 93 57.274 20.564 33.357 734 HB3 LEU 93 HB3 LEU 93 56.523 19.644 34.656 735 HG LEU 93 HG LEU 93 56.171 22.618 34.165 736 HD11 LEU 93 HD11 LEU 93 53.794 21.853 33.711 737 HD12 LEU 93 HD12 LEU 93 54.406 20.198 33.718 738 HD13 LEU 93 HD13 LEU 93 54.976 21.345 32.504 739 HD21 LEU 93 HD21 LEU 93 55.006 20.735 36.242 740 HD22 LEU 93 HD22 LEU 93 54.352 22.337 35.903 741 HD23 LEU 93 HD23 LEU 93 55.988 22.169 36.541 742 H GLY 94 H GLY 94 60.277 20.943 33.956 743 HA2 GLY 94 HA2 GLY 94 62.184 19.528 34.413 744 HA3 GLY 94 HA3 GLY 94 61.079 18.279 34.957 745 H ALA 95 H ALA 95 60.027 19.872 32.052 746 HA ALA 95 HA ALA 95 60.136 17.505 30.517 747 HB1 ALA 95 HB1 ALA 95 58.694 19.539 30.073 748 HB2 ALA 95 HB2 ALA 95 59.503 18.875 28.653 749 HB3 ALA 95 HB3 ALA 95 60.135 20.328 29.430 750 H GLN 96 H GLN 96 61.724 16.608 29.298 751 HA GLN 96 HA GLN 96 64.423 17.388 29.710 752 HB2 GLN 96 HB2 GLN 96 63.521 15.764 27.337 753 HB3 GLN 96 HB3 GLN 96 65.048 15.682 28.196 754 HG2 GLN 96 HG2 GLN 96 62.356 14.775 29.229 755 HG3 GLN 96 HG3 GLN 96 63.677 13.743 28.705 756 HE21 GLN 96 HE21 GLN 96 62.301 13.920 31.347 757 HE22 GLN 96 HE22 GLN 96 63.534 14.184 32.478 758 H ARG 97 H ARG 97 62.147 17.831 27.045 759 HA ARG 97 HA ARG 97 63.997 19.748 25.773 760 HB2 ARG 97 HB2 ARG 97 64.181 17.583 24.629 761 HB3 ARG 97 HB3 ARG 97 62.436 17.549 24.393 762 HG2 ARG 97 HG2 ARG 97 62.562 19.576 23.022 763 HG3 ARG 97 HG3 ARG 97 64.312 19.651 23.265 764 HD2 ARG 97 HD2 ARG 97 64.490 17.384 22.214 765 HD3 ARG 97 HD3 ARG 97 62.763 17.447 21.875 766 HE ARG 97 HE ARG 97 63.254 18.786 20.072 767 HH11 ARG 97 HH11 ARG 97 65.921 19.063 22.338 768 HH12 ARG 97 HH12 ARG 97 66.835 20.094 21.290 769 HH21 ARG 97 HH21 ARG 97 64.479 20.115 18.765 770 HH22 ARG 97 HH22 ARG 97 66.028 20.682 19.292 771 H VAL 98 H VAL 98 63.039 21.652 25.651 772 HA VAL 98 HA VAL 98 60.113 21.773 25.185 773 HB VAL 98 HB VAL 98 61.903 23.844 26.485 774 HG11 VAL 98 HG11 VAL 98 59.841 25.019 26.973 775 HG12 VAL 98 HG12 VAL 98 58.880 23.703 26.296 776 HG13 VAL 98 HG13 VAL 98 59.887 24.695 25.240 777 HG21 VAL 98 HG21 VAL 98 59.834 21.980 27.701 778 HG22 VAL 98 HG22 VAL 98 60.747 23.212 28.569 779 HG23 VAL 98 HG23 VAL 98 61.579 21.816 27.888 780 H ILE 99 H ILE 99 59.443 22.675 23.354 781 HA ILE 99 HA ILE 99 61.434 24.009 21.620 782 HB ILE 99 HB ILE 99 59.125 22.180 20.907 783 HG12 ILE 99 HG12 ILE 99 62.099 21.803 20.482 784 HG13 ILE 99 HG13 ILE 99 61.233 21.166 21.880 785 HG21 ILE 99 HG21 ILE 99 59.141 23.489 19.030 786 HG22 ILE 99 HG22 ILE 99 60.468 22.416 18.587 787 HG23 ILE 99 HG23 ILE 99 60.809 24.008 19.264 788 HD11 ILE 99 HD11 ILE 99 59.738 19.898 20.375 789 HD12 ILE 99 HD12 ILE 99 61.424 19.449 20.122 790 HD13 ILE 99 HD13 ILE 99 60.617 20.523 18.980 791 H ASP 100 H ASP 100 60.986 26.076 21.196 792 HA ASP 100 HA ASP 100 58.261 27.085 21.589 793 HB2 ASP 100 HB2 ASP 100 60.193 28.318 22.565 794 HB3 ASP 100 HB3 ASP 100 60.802 28.598 20.936 795 H CYS 101 H CYS 101 56.911 27.154 19.906 796 HA CYS 101 HA CYS 101 57.981 26.964 17.197 797 HB2 CYS 101 HB2 CYS 101 55.689 26.492 16.528 798 HB3 CYS 101 HB3 CYS 101 56.153 25.468 17.884 799 HG CYS 101 HG CYS 101 53.745 26.939 18.056 800 H ARG 102 H ARG 102 57.080 29.520 19.219 801 HA ARG 102 HA ARG 102 55.583 31.206 17.581 802 HB2 ARG 102 HB2 ARG 102 56.115 31.642 19.968 803 HB3 ARG 102 HB3 ARG 102 57.776 32.009 19.509 804 HG2 ARG 102 HG2 ARG 102 56.708 34.120 19.647 805 HG3 ARG 102 HG3 ARG 102 56.773 33.772 17.922 806 HD2 ARG 102 HD2 ARG 102 54.444 32.898 18.038 807 HD3 ARG 102 HD3 ARG 102 54.390 33.331 19.745 808 HE ARG 102 HE ARG 102 54.218 35.578 19.138 809 HH11 ARG 102 HH11 ARG 102 54.896 33.655 16.281 810 HH12 ARG 102 HH12 ARG 102 54.557 34.964 15.198 811 HH21 ARG 102 HH21 ARG 102 53.794 37.225 17.694 812 HH22 ARG 102 HH22 ARG 102 53.941 36.958 15.990 813 H GLY 103 H GLY 103 59.086 30.666 17.681 814 HA2 GLY 103 HA2 GLY 103 59.453 32.510 15.424 815 HA3 GLY 103 HA3 GLY 103 60.735 31.802 16.399 816 H ALA 104 H ALA 104 59.736 29.083 16.263 817 HA ALA 104 HA ALA 104 60.875 28.313 13.739 818 HB1 ALA 104 HB1 ALA 104 61.372 26.751 15.367 819 HB2 ALA 104 HB2 ALA 104 59.967 25.992 14.620 820 HB3 ALA 104 HB3 ALA 104 59.788 26.884 16.129 821 H SER 105 H SER 105 59.867 27.395 11.975 822 HA SER 105 HA SER 105 57.032 28.034 11.686 823 HB2 SER 105 HB2 SER 105 59.073 27.032 9.686 824 HB3 SER 105 HB3 SER 105 57.411 27.468 9.302 825 HG SER 105 HG SER 105 58.058 29.517 10.341 826 H ALA 106 H ALA 106 55.572 26.454 10.665 827 HA ALA 106 HA ALA 106 55.254 24.130 12.080 828 HB1 ALA 106 HB1 ALA 106 53.812 23.357 10.179 829 HB2 ALA 106 HB2 ALA 106 54.359 24.768 9.271 830 HB3 ALA 106 HB3 ALA 106 53.451 24.979 10.767 831 HA PRO 107 HA PRO 107 57.342 21.429 8.668 832 HB2 PRO 107 HB2 PRO 107 59.374 22.734 7.255 833 HB3 PRO 107 HB3 PRO 107 57.772 22.313 6.623 834 HG2 PRO 107 HG2 PRO 107 58.784 24.902 7.626 835 HG3 PRO 107 HG3 PRO 107 57.606 24.559 6.348 836 HD2 PRO 107 HD2 PRO 107 56.870 25.466 8.775 837 HD3 PRO 107 HD3 PRO 107 55.835 24.380 7.827 838 H ALA 108 H ALA 108 59.167 24.080 10.149 839 HA ALA 108 HA ALA 108 61.531 22.673 10.746 840 HB1 ALA 108 HB1 ALA 108 62.031 24.424 12.244 841 HB2 ALA 108 HB2 ALA 108 60.328 24.741 12.578 842 HB3 ALA 108 HB3 ALA 108 61.019 25.188 11.018 843 H LEU 109 H LEU 109 58.489 23.010 12.541 844 HA LEU 109 HA LEU 109 59.208 21.585 14.846 845 HB2 LEU 109 HB2 LEU 109 56.495 21.682 13.503 846 HB3 LEU 109 HB3 LEU 109 56.807 21.257 15.183 847 HG LEU 109 HG LEU 109 57.451 23.937 13.917 848 HD11 LEU 109 HD11 LEU 109 55.362 23.348 16.016 849 HD12 LEU 109 HD12 LEU 109 54.986 23.303 14.294 850 HD13 LEU 109 HD13 LEU 109 55.545 24.802 15.036 851 HD21 LEU 109 HD21 LEU 109 57.767 24.594 16.340 852 HD22 LEU 109 HD22 LEU 109 58.988 23.479 15.728 853 HD23 LEU 109 HD23 LEU 109 57.681 22.882 16.751 854 H LEU 110 H LEU 110 57.917 20.461 11.744 855 HA LEU 110 HA LEU 110 57.548 17.754 12.369 856 HB2 LEU 110 HB2 LEU 110 56.805 18.820 10.258 857 HB3 LEU 110 HB3 LEU 110 58.487 18.936 9.741 858 HG LEU 110 HG LEU 110 58.649 16.428 9.997 859 HD11 LEU 110 HD11 LEU 110 55.674 16.789 10.427 860 HD12 LEU 110 HD12 LEU 110 56.826 15.983 11.493 861 HD13 LEU 110 HD13 LEU 110 56.394 15.252 9.945 862 HD21 LEU 110 HD21 LEU 110 57.355 15.966 7.908 863 HD22 LEU 110 HD22 LEU 110 58.333 17.428 7.792 864 HD23 LEU 110 HD23 LEU 110 56.595 17.549 8.065 865 H ALA 111 H ALA 111 60.415 19.463 11.186 866 HA ALA 111 HA ALA 111 62.133 17.246 10.984 867 HB1 ALA 111 HB1 ALA 111 63.965 18.960 11.273 868 HB2 ALA 111 HB2 ALA 111 62.705 20.160 11.558 869 HB3 ALA 111 HB3 ALA 111 62.799 19.333 10.004 870 H ALA 112 H ALA 112 61.362 19.346 13.728 871 HA ALA 112 HA ALA 112 63.315 18.392 15.509 872 HB1 ALA 112 HB1 ALA 112 62.003 20.421 15.941 873 HB2 ALA 112 HB2 ALA 112 61.859 19.288 17.285 874 HB3 ALA 112 HB3 ALA 112 60.543 19.448 16.122 875 H LEU 113 H LEU 113 60.017 17.242 14.856 876 HA LEU 113 HA LEU 113 59.857 15.330 16.909 877 HB2 LEU 113 HB2 LEU 113 58.532 15.721 14.263 878 HB3 LEU 113 HB3 LEU 113 58.363 14.139 15.016 879 HG LEU 113 HG LEU 113 57.873 16.600 16.664 880 HD11 LEU 113 HD11 LEU 113 55.494 16.552 15.978 881 HD12 LEU 113 HD12 LEU 113 55.871 15.316 14.777 882 HD13 LEU 113 HD13 LEU 113 56.542 16.939 14.613 883 HD21 LEU 113 HD21 LEU 113 56.071 14.869 17.500 884 HD22 LEU 113 HD22 LEU 113 57.758 14.662 17.968 885 HD23 LEU 113 HD23 LEU 113 57.084 13.699 16.653 886 H THR 114 H THR 114 60.979 14.994 13.557 887 HA THR 114 HA THR 114 61.477 12.210 13.753 888 HB THR 114 HB THR 114 62.699 12.475 11.639 889 HG1 THR 114 HG1 THR 114 63.683 14.426 12.066 890 HG21 THR 114 HG21 THR 114 60.818 13.029 10.384 891 HG22 THR 114 HG22 THR 114 60.371 14.358 11.452 892 HG23 THR 114 HG23 THR 114 60.086 12.692 11.954 893 H SER 115 H SER 115 63.604 15.018 14.224 894 HA SER 115 HA SER 115 66.001 13.533 14.508 895 HB2 SER 115 HB2 SER 115 66.942 15.566 15.419 896 HB3 SER 115 HB3 SER 115 65.876 15.989 14.084 897 HG SER 115 HG SER 115 65.698 17.037 16.300 898 H ALA 116 H ALA 116 63.548 14.575 16.836 899 HA ALA 116 HA ALA 116 64.951 13.878 19.179 900 HB1 ALA 116 HB1 ALA 116 62.959 15.330 19.174 901 HB2 ALA 116 HB2 ALA 116 62.759 13.969 20.277 902 HB3 ALA 116 HB3 ALA 116 61.961 13.953 18.705 903 H ALA 117 H ALA 117 62.668 12.031 17.164 904 HA ALA 117 HA ALA 117 62.526 9.744 18.793 905 HB1 ALA 117 HB1 ALA 117 61.552 8.653 16.934 906 HB2 ALA 117 HB2 ALA 117 62.416 9.669 15.780 907 HB3 ALA 117 HB3 ALA 117 61.103 10.348 16.743 908 H LEU 118 H LEU 118 64.763 10.614 16.181 909 HA LEU 118 HA LEU 118 66.200 8.175 16.143 910 HB2 LEU 118 HB2 LEU 118 67.092 10.974 15.410 911 HB3 LEU 118 HB3 LEU 118 67.979 9.500 15.025 912 HG LEU 118 HG LEU 118 65.122 10.020 14.159 913 HD11 LEU 118 HD11 LEU 118 65.995 10.588 11.986 914 HD12 LEU 118 HD12 LEU 118 67.638 10.176 12.477 915 HD13 LEU 118 HD13 LEU 118 66.843 11.595 13.160 916 HD21 LEU 118 HD21 LEU 118 67.186 7.891 13.562 917 HD22 LEU 118 HD22 LEU 118 65.790 8.159 12.520 918 HD23 LEU 118 HD23 LEU 118 65.556 7.674 14.199 919 H GLU 119 H GLU 119 66.552 11.109 18.083 920 HA GLU 119 HA GLU 119 69.074 10.602 19.191 921 HB2 GLU 119 HB2 GLU 119 67.793 12.735 19.397 922 HB3 GLU 119 HB3 GLU 119 66.739 11.942 20.567 923 HG2 GLU 119 HG2 GLU 119 68.732 11.429 21.967 924 HG3 GLU 119 HG3 GLU 119 69.734 12.315 20.827 925 H HIS 120 H HIS 120 65.897 9.346 20.068 926 HA HIS 120 HA HIS 120 66.460 8.400 22.635 927 HB2 HIS 120 HB2 HIS 120 64.211 8.484 21.574 928 HB3 HIS 120 HB3 HIS 120 64.663 7.113 20.579 929 HD1 HIS 120 HD1 HIS 120 64.644 7.903 24.322 930 HD2 HIS 120 HD2 HIS 120 63.761 4.777 21.710 931 HE1 HIS 120 HE1 HIS 120 63.794 5.995 25.752 932 H HIS 121 H HIS 121 66.987 6.860 19.479 933 HA HIS 121 HA HIS 121 68.441 4.670 20.851 934 HB2 HIS 121 HB2 HIS 121 67.137 4.743 18.128 935 HB3 HIS 121 HB3 HIS 121 68.083 3.404 18.748 936 HD1 HIS 121 HD1 HIS 121 67.052 2.543 21.249 937 HD2 HIS 121 HD2 HIS 121 64.461 4.357 18.533 938 HE1 HIS 121 HE1 HIS 121 64.712 1.851 21.922 939 H HIS 122 H HIS 122 70.557 4.390 20.447 940 HA HIS 122 HA HIS 122 71.799 6.024 18.304 941 HB2 HIS 122 HB2 HIS 122 72.948 5.182 20.967 942 HB3 HIS 122 HB3 HIS 122 73.825 6.041 19.715 943 HD1 HIS 122 HD1 HIS 122 72.641 8.465 19.055 944 HD2 HIS 122 HD2 HIS 122 71.748 6.848 22.793 945 HE1 HIS 122 HE1 HIS 122 71.739 10.367 20.460 946 H HIS 123 H HIS 123 72.900 4.955 16.788 947 HA HIS 123 HA HIS 123 72.907 2.147 16.612 948 HB2 HIS 123 HB2 HIS 123 73.115 3.710 14.689 949 HB3 HIS 123 HB3 HIS 123 74.744 4.093 15.214 950 HD1 HIS 123 HD1 HIS 123 72.788 0.914 14.385 951 HD2 HIS 123 HD2 HIS 123 76.582 2.560 13.864 952 HE1 HIS 123 HE1 HIS 123 74.118 -0.768 13.040 953 H HIS 124 H HIS 124 75.393 4.434 17.677 954 HA HIS 124 HA HIS 124 77.051 2.152 18.582 955 HB2 HIS 124 HB2 HIS 124 77.829 5.003 17.956 956 HB3 HIS 124 HB3 HIS 124 78.914 3.785 18.601 957 HD1 HIS 124 HD1 HIS 124 78.973 1.504 16.946 958 HD2 HIS 124 HD2 HIS 124 77.966 5.166 15.227 959 HE1 HIS 124 HE1 HIS 124 79.358 1.256 14.456 960 H HIS 125 H HIS 125 77.619 1.998 20.697 961 HA HIS 125 HA HIS 125 76.976 4.218 22.510 962 HB2 HIS 125 HB2 HIS 125 75.016 2.692 22.443 963 HB3 HIS 125 HB3 HIS 125 76.055 1.377 22.958 964 HD1 HIS 125 HD1 HIS 125 76.696 1.276 25.442 965 HD2 HIS 125 HD2 HIS 125 74.435 4.640 24.470 966 HE1 HIS 125 HE1 HIS 125 76.006 2.331 27.636 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 57.397 8.047 6.976 2 H2 MET 1 HT2 MET 1 58.241 6.586 7.173 3 H3 MET 1 HT3 MET 1 58.839 8.016 7.869 4 HA MET 1 HA MET 1 56.764 6.219 8.801 5 HB2 MET 1 HB2 MET 1 58.646 8.211 10.097 6 HB3 MET 1 HB3 MET 1 57.575 7.125 10.984 7 HG2 MET 1 HG2 MET 1 58.672 5.190 9.807 8 HG3 MET 1 HG3 MET 1 59.836 6.330 9.130 9 HE1 MET 1 HE1 MET 1 61.793 7.727 11.947 10 HE2 MET 1 HE2 MET 1 60.167 8.402 11.907 11 HE3 MET 1 HE3 MET 1 60.987 8.005 10.399 12 H ASP 2 H ASP 2 55.215 7.131 10.435 13 HA ASP 2 HA ASP 2 54.194 9.787 9.608 14 HB2 ASP 2 HB2 ASP 2 52.661 7.234 10.124 15 HB3 ASP 2 HB3 ASP 2 51.901 8.823 10.033 16 HA PRO 3 HA PRO 3 55.240 9.613 14.166 17 HB2 PRO 3 HB2 PRO 3 55.344 12.423 14.336 18 HB3 PRO 3 HB3 PRO 3 56.728 11.333 14.149 19 HG2 PRO 3 HG2 PRO 3 55.282 12.914 12.105 20 HG3 PRO 3 HG3 PRO 3 57.005 12.508 12.222 21 HD2 PRO 3 HD2 PRO 3 55.405 11.253 10.467 22 HD3 PRO 3 HD3 PRO 3 56.712 10.382 11.302 23 H LYS 4 H LYS 4 53.971 10.223 15.992 24 HA LYS 4 HA LYS 4 51.232 11.148 15.320 25 HB2 LYS 4 HB2 LYS 4 52.156 9.263 17.505 26 HB3 LYS 4 HB3 LYS 4 50.494 9.796 17.254 27 HG2 LYS 4 HG2 LYS 4 50.574 8.820 14.956 28 HG3 LYS 4 HG3 LYS 4 52.184 8.195 15.313 29 HD2 LYS 4 HD2 LYS 4 51.224 6.957 17.258 30 HD3 LYS 4 HD3 LYS 4 49.618 7.497 16.767 31 HE2 LYS 4 HE2 LYS 4 49.773 6.321 14.675 32 HE3 LYS 4 HE3 LYS 4 51.479 5.962 14.938 33 HZ1 LYS 4 HZ1 LYS 4 50.709 4.763 17.009 34 HZ2 LYS 4 HZ2 LYS 4 50.337 4.025 15.524 35 HZ3 LYS 4 HZ3 LYS 4 49.137 4.871 16.378 36 H VAL 5 H VAL 5 50.353 12.808 16.518 37 HA VAL 5 HA VAL 5 51.760 13.614 18.987 38 HB VAL 5 HB VAL 5 51.324 16.018 18.376 39 HG11 VAL 5 HG11 VAL 5 53.565 15.410 18.291 40 HG12 VAL 5 HG12 VAL 5 53.287 15.951 16.635 41 HG13 VAL 5 HG13 VAL 5 53.304 14.228 17.009 42 HG21 VAL 5 HG21 VAL 5 51.232 16.453 15.887 43 HG22 VAL 5 HG22 VAL 5 49.745 15.793 16.568 44 HG23 VAL 5 HG23 VAL 5 50.842 14.748 15.666 45 H LEU 6 H LEU 6 50.569 14.409 20.596 46 HA LEU 6 HA LEU 6 47.641 14.143 20.322 47 HB2 LEU 6 HB2 LEU 6 48.827 12.725 22.022 48 HB3 LEU 6 HB3 LEU 6 49.291 14.207 22.858 49 HG LEU 6 HG LEU 6 46.750 14.766 22.802 50 HD11 LEU 6 HD11 LEU 6 45.807 13.143 21.407 51 HD12 LEU 6 HD12 LEU 6 45.500 12.465 23.006 52 HD13 LEU 6 HD13 LEU 6 46.843 11.862 22.033 53 HD21 LEU 6 HD21 LEU 6 46.419 13.239 24.846 54 HD22 LEU 6 HD22 LEU 6 47.790 14.347 24.902 55 HD23 LEU 6 HD23 LEU 6 48.047 12.644 24.522 56 H ILE 7 H ILE 7 46.329 15.848 20.670 57 HA ILE 7 HA ILE 7 47.621 18.451 21.168 58 HB ILE 7 HB ILE 7 44.865 17.903 20.041 59 HG12 ILE 7 HG12 ILE 7 47.303 18.779 18.481 60 HG13 ILE 7 HG13 ILE 7 46.851 17.079 18.622 61 HG21 ILE 7 HG21 ILE 7 46.597 20.394 20.041 62 HG22 ILE 7 HG22 ILE 7 45.200 20.131 21.083 63 HG23 ILE 7 HG23 ILE 7 44.987 20.253 19.336 64 HD11 ILE 7 HD11 ILE 7 45.936 18.437 16.597 65 HD12 ILE 7 HD12 ILE 7 44.809 19.118 17.769 66 HD13 ILE 7 HD13 ILE 7 44.832 17.380 17.479 67 H MET 8 H MET 8 47.182 19.593 22.942 68 HA MET 8 HA MET 8 45.001 18.731 24.715 69 HB2 MET 8 HB2 MET 8 47.307 20.650 25.148 70 HB3 MET 8 HB3 MET 8 46.116 20.198 26.370 71 HG2 MET 8 HG2 MET 8 46.773 17.798 26.039 72 HG3 MET 8 HG3 MET 8 48.065 18.347 24.972 73 HE1 MET 8 HE1 MET 8 46.372 18.325 28.170 74 HE2 MET 8 HE2 MET 8 46.788 19.995 28.547 75 HE3 MET 8 HE3 MET 8 47.548 18.680 29.440 76 H ARG 9 H ARG 9 43.225 20.010 25.077 77 HA ARG 9 HA ARG 9 42.472 21.803 23.063 78 HB2 ARG 9 HB2 ARG 9 41.350 21.493 25.855 79 HB3 ARG 9 HB3 ARG 9 40.574 22.396 24.553 80 HG2 ARG 9 HG2 ARG 9 40.619 20.302 23.162 81 HG3 ARG 9 HG3 ARG 9 41.209 19.434 24.579 82 HD2 ARG 9 HD2 ARG 9 38.582 20.928 24.363 83 HD3 ARG 9 HD3 ARG 9 38.785 19.182 24.414 84 HE ARG 9 HE ARG 9 40.005 20.189 26.704 85 HH11 ARG 9 HH11 ARG 9 36.758 20.127 25.369 86 HH12 ARG 9 HH12 ARG 9 36.007 20.175 26.929 87 HH21 ARG 9 HH21 ARG 9 38.979 20.253 28.686 88 HH22 ARG 9 HH22 ARG 9 37.251 20.246 28.782 89 H GLY 10 H GLY 10 42.256 24.026 22.981 90 HA2 GLY 10 HA2 GLY 10 43.341 25.691 25.102 91 HA3 GLY 10 HA3 GLY 10 44.301 25.638 23.627 92 H GLU 11 H GLU 11 43.459 28.053 24.236 93 HA GLU 11 HA GLU 11 40.885 28.859 23.496 94 HB2 GLU 11 HB2 GLU 11 43.508 30.345 23.252 95 HB3 GLU 11 HB3 GLU 11 41.913 31.086 23.115 96 HG2 GLU 11 HG2 GLU 11 41.365 30.260 25.397 97 HG3 GLU 11 HG3 GLU 11 42.995 29.614 25.532 98 H GLY 12 H GLY 12 43.693 28.124 21.490 99 HA2 GLY 12 HA2 GLY 12 42.759 29.335 19.099 100 HA3 GLY 12 HA3 GLY 12 43.976 28.067 19.204 101 H GLY 13 H GLY 13 42.491 27.790 17.083 102 HA2 GLY 13 HA2 GLY 13 40.042 26.315 17.600 103 HA3 GLY 13 HA3 GLY 13 40.718 26.703 16.022 104 H ARG 14 H ARG 14 39.980 24.202 17.967 105 HA ARG 14 HA ARG 14 42.182 22.473 17.960 106 HB2 ARG 14 HB2 ARG 14 39.239 21.814 17.655 107 HB3 ARG 14 HB3 ARG 14 40.500 20.660 18.085 108 HG2 ARG 14 HG2 ARG 14 41.028 21.988 20.098 109 HG3 ARG 14 HG3 ARG 14 39.745 23.127 19.681 110 HD2 ARG 14 HD2 ARG 14 38.146 21.152 19.715 111 HD3 ARG 14 HD3 ARG 14 39.458 20.205 20.415 112 HE ARG 14 HE ARG 14 39.135 21.320 22.420 113 HH11 ARG 14 HH11 ARG 14 37.445 23.079 19.896 114 HH12 ARG 14 HH12 ARG 14 36.678 24.153 21.018 115 HH21 ARG 14 HH21 ARG 14 38.122 22.738 23.818 116 HH22 ARG 14 HH22 ARG 14 37.057 23.960 23.208 117 H GLU 15 H GLU 15 39.669 23.015 15.508 118 HA GLU 15 HA GLU 15 40.487 20.962 13.746 119 HB2 GLU 15 HB2 GLU 15 38.996 23.537 13.196 120 HB3 GLU 15 HB3 GLU 15 39.154 22.202 12.054 121 HG2 GLU 15 HG2 GLU 15 38.093 20.689 13.719 122 HG3 GLU 15 HG3 GLU 15 37.869 22.062 14.795 123 H PHE 16 H PHE 16 41.392 24.387 13.987 124 HA PHE 16 HA PHE 16 42.727 24.624 11.536 125 HB2 PHE 16 HB2 PHE 16 42.150 26.507 13.037 126 HB3 PHE 16 HB3 PHE 16 43.397 25.979 14.151 127 HD1 PHE 16 HD1 PHE 16 42.730 27.441 10.820 128 HD2 PHE 16 HD2 PHE 16 45.728 26.425 13.723 129 HE1 PHE 16 HE1 PHE 16 44.392 28.800 9.579 130 HE2 PHE 16 HE2 PHE 16 47.391 27.784 12.482 131 HZ PHE 16 HZ PHE 16 46.722 28.972 10.411 132 H LEU 17 H LEU 17 44.129 23.939 14.755 133 HA LEU 17 HA LEU 17 46.771 23.613 13.840 134 HB2 LEU 17 HB2 LEU 17 46.109 23.954 16.220 135 HB3 LEU 17 HB3 LEU 17 45.494 22.301 16.251 136 HG LEU 17 HG LEU 17 47.810 21.548 15.513 137 HD11 LEU 17 HD11 LEU 17 49.588 23.305 16.226 138 HD12 LEU 17 HD12 LEU 17 48.291 24.481 16.016 139 HD13 LEU 17 HD13 LEU 17 48.818 23.497 14.652 140 HD21 LEU 17 HD21 LEU 17 48.775 21.870 17.814 141 HD22 LEU 17 HD22 LEU 17 47.115 21.277 17.821 142 HD23 LEU 17 HD23 LEU 17 47.445 22.975 18.163 143 H ALA 18 H ALA 18 44.165 21.238 14.294 144 HA ALA 18 HA ALA 18 45.723 18.947 13.877 145 HB1 ALA 18 HB1 ALA 18 43.635 18.440 14.743 146 HB2 ALA 18 HB2 ALA 18 43.384 18.031 13.046 147 HB3 ALA 18 HB3 ALA 18 42.804 19.573 13.676 148 H GLU 19 H GLU 19 43.941 20.946 11.521 149 HA GLU 19 HA GLU 19 44.376 19.261 9.309 150 HB2 GLU 19 HB2 GLU 19 43.929 22.247 9.457 151 HB3 GLU 19 HB3 GLU 19 43.975 21.336 7.947 152 HG2 GLU 19 HG2 GLU 19 42.142 19.891 8.789 153 HG3 GLU 19 HG3 GLU 19 42.065 20.858 10.252 154 H ARG 20 H ARG 20 46.330 21.911 10.660 155 HA ARG 20 HA ARG 20 48.227 22.030 8.585 156 HB2 ARG 20 HB2 ARG 20 48.661 22.525 11.540 157 HB3 ARG 20 HB3 ARG 20 49.713 23.072 10.238 158 HG2 ARG 20 HG2 ARG 20 46.792 23.838 10.481 159 HG3 ARG 20 HG3 ARG 20 48.122 24.836 11.065 160 HD2 ARG 20 HD2 ARG 20 49.067 24.829 8.739 161 HD3 ARG 20 HD3 ARG 20 47.619 23.986 8.199 162 HE ARG 20 HE ARG 20 46.982 26.381 9.632 163 HH11 ARG 20 HH11 ARG 20 48.000 25.212 6.481 164 HH12 ARG 20 HH12 ARG 20 47.337 26.578 5.649 165 HH21 ARG 20 HH21 ARG 20 46.148 28.117 8.501 166 HH22 ARG 20 HH22 ARG 20 46.303 28.200 6.778 167 H LEU 21 H LEU 21 48.353 20.132 11.631 168 HA LEU 21 HA LEU 21 50.875 18.980 11.044 169 HB2 LEU 21 HB2 LEU 21 48.657 18.114 12.901 170 HB3 LEU 21 HB3 LEU 21 50.205 17.273 12.791 171 HG LEU 21 HG LEU 21 49.983 20.245 13.331 172 HD11 LEU 21 HD11 LEU 21 49.870 17.885 15.181 173 HD12 LEU 21 HD12 LEU 21 48.995 19.413 15.265 174 HD13 LEU 21 HD13 LEU 21 50.699 19.348 15.715 175 HD21 LEU 21 HD21 LEU 21 52.329 19.558 14.373 176 HD22 LEU 21 HD22 LEU 21 52.174 19.855 12.642 177 HD23 LEU 21 HD23 LEU 21 52.184 18.201 13.255 178 H ARG 22 H ARG 22 47.570 17.925 10.333 179 HA ARG 22 HA ARG 22 48.217 15.342 9.398 180 HB2 ARG 22 HB2 ARG 22 45.914 16.127 9.952 181 HB3 ARG 22 HB3 ARG 22 45.937 17.113 8.490 182 HG2 ARG 22 HG2 ARG 22 46.249 15.116 7.110 183 HG3 ARG 22 HG3 ARG 22 46.317 14.105 8.554 184 HD2 ARG 22 HD2 ARG 22 44.080 13.947 7.675 185 HD3 ARG 22 HD3 ARG 22 44.007 14.923 9.140 186 HE ARG 22 HE ARG 22 43.495 16.791 7.838 187 HH11 ARG 22 HH11 ARG 22 44.373 14.119 5.737 188 HH12 ARG 22 HH12 ARG 22 43.818 14.929 4.310 189 HH21 ARG 22 HH21 ARG 22 42.798 17.784 5.966 190 HH22 ARG 22 HH22 ARG 22 42.939 16.978 4.439 191 H GLY 23 H GLY 23 47.967 18.457 7.705 192 HA2 GLY 23 HA2 GLY 23 48.274 17.506 5.089 193 HA3 GLY 23 HA3 GLY 23 48.704 19.122 5.632 194 H GLN 24 H GLN 24 50.686 18.156 7.581 195 HA GLN 24 HA GLN 24 52.880 17.769 5.718 196 HB2 GLN 24 HB2 GLN 24 52.829 18.198 8.705 197 HB3 GLN 24 HB3 GLN 24 54.301 18.071 7.739 198 HG2 GLN 24 HG2 GLN 24 53.610 19.985 6.379 199 HG3 GLN 24 HG3 GLN 24 52.097 20.097 7.274 200 HE21 GLN 24 HE21 GLN 24 53.986 22.263 7.154 201 HE22 GLN 24 HE22 GLN 24 54.607 22.502 8.715 202 H GLY 25 H GLY 25 50.886 15.504 6.937 203 HA2 GLY 25 HA2 GLY 25 51.239 13.211 6.555 204 HA3 GLY 25 HA3 GLY 25 52.970 13.485 6.616 205 H VAL 26 H VAL 26 51.306 14.934 9.249 206 HA VAL 26 HA VAL 26 52.218 12.758 11.012 207 HB VAL 26 HB VAL 26 51.373 15.582 11.718 208 HG11 VAL 26 HG11 VAL 26 52.861 13.503 13.349 209 HG12 VAL 26 HG12 VAL 26 51.141 13.850 13.523 210 HG13 VAL 26 HG13 VAL 26 52.333 15.094 13.896 211 HG21 VAL 26 HG21 VAL 26 53.938 15.691 12.199 212 HG22 VAL 26 HG22 VAL 26 53.384 15.862 10.533 213 HG23 VAL 26 HG23 VAL 26 54.037 14.322 11.092 214 H GLN 27 H GLN 27 50.828 11.626 12.279 215 HA GLN 27 HA GLN 27 47.993 11.796 11.700 216 HB2 GLN 27 HB2 GLN 27 49.482 10.084 13.704 217 HB3 GLN 27 HB3 GLN 27 47.804 9.872 13.210 218 HG2 GLN 27 HG2 GLN 27 48.591 9.545 10.857 219 HG3 GLN 27 HG3 GLN 27 50.253 9.609 11.444 220 HE21 GLN 27 HE21 GLN 27 51.104 7.731 12.491 221 HE22 GLN 27 HE22 GLN 27 50.213 6.298 12.676 222 H VAL 28 H VAL 28 46.453 12.729 12.974 223 HA VAL 28 HA VAL 28 47.443 14.151 15.386 224 HB VAL 28 HB VAL 28 45.266 15.034 13.476 225 HG11 VAL 28 HG11 VAL 28 45.271 17.084 14.719 226 HG12 VAL 28 HG12 VAL 28 46.690 16.596 15.642 227 HG13 VAL 28 HG13 VAL 28 45.145 15.790 15.903 228 HG21 VAL 28 HG21 VAL 28 46.957 16.816 12.880 229 HG22 VAL 28 HG22 VAL 28 47.391 15.197 12.332 230 HG23 VAL 28 HG23 VAL 28 48.163 15.881 13.762 231 H ASP 29 H ASP 29 46.500 13.679 17.237 232 HA ASP 29 HA ASP 29 43.616 13.050 17.231 233 HB2 ASP 29 HB2 ASP 29 44.936 10.949 17.556 234 HB3 ASP 29 HB3 ASP 29 45.663 11.673 18.988 235 H TYR 30 H TYR 30 42.499 14.305 18.663 236 HA TYR 30 HA TYR 30 44.094 15.865 20.620 237 HB2 TYR 30 HB2 TYR 30 42.544 17.654 20.388 238 HB3 TYR 30 HB3 TYR 30 43.066 17.176 18.785 239 HD1 TYR 30 HD1 TYR 30 40.271 17.675 21.005 240 HD2 TYR 30 HD2 TYR 30 41.509 15.740 17.374 241 HE1 TYR 30 HE1 TYR 30 37.896 17.416 20.332 242 HE2 TYR 30 HE2 TYR 30 39.135 15.483 16.702 243 HH TYR 30 HH TYR 30 36.595 17.022 18.375 244 H LEU 31 H LEU 31 43.510 15.859 22.719 245 HA LEU 31 HA LEU 31 41.323 14.030 23.478 246 HB2 LEU 31 HB2 LEU 31 43.576 13.237 24.050 247 HB3 LEU 31 HB3 LEU 31 43.872 14.720 24.951 248 HG LEU 31 HG LEU 31 41.700 14.012 26.280 249 HD11 LEU 31 HD11 LEU 31 41.690 11.466 26.455 250 HD12 LEU 31 HD12 LEU 31 42.598 11.455 24.943 251 HD13 LEU 31 HD13 LEU 31 40.973 12.143 24.992 252 HD21 LEU 31 HD21 LEU 31 44.085 14.125 27.111 253 HD22 LEU 31 HD22 LEU 31 44.256 12.432 26.648 254 HD23 LEU 31 HD23 LEU 31 43.095 12.893 27.893 255 HA PRO 32 HA PRO 32 39.786 17.740 25.657 256 HB2 PRO 32 HB2 PRO 32 37.888 16.074 27.126 257 HB3 PRO 32 HB3 PRO 32 37.577 17.306 25.893 258 HG2 PRO 32 HG2 PRO 32 37.190 14.646 25.522 259 HG3 PRO 32 HG3 PRO 32 37.514 15.800 24.218 260 HD2 PRO 32 HD2 PRO 32 39.381 13.843 25.501 261 HD3 PRO 32 HD3 PRO 32 39.291 14.386 23.809 262 H LEU 33 H LEU 33 40.476 18.663 27.520 263 HA LEU 33 HA LEU 33 42.210 17.335 29.265 264 HB2 LEU 33 HB2 LEU 33 40.725 19.944 29.489 265 HB3 LEU 33 HB3 LEU 33 41.808 19.381 30.760 266 HG LEU 33 HG LEU 33 42.637 19.634 27.860 267 HD11 LEU 33 HD11 LEU 33 43.955 21.657 28.967 268 HD12 LEU 33 HD12 LEU 33 42.588 21.641 30.082 269 HD13 LEU 33 HD13 LEU 33 42.312 21.871 28.356 270 HD21 LEU 33 HD21 LEU 33 44.898 19.853 29.429 271 HD22 LEU 33 HD22 LEU 33 44.337 18.365 28.680 272 HD23 LEU 33 HD23 LEU 33 43.940 18.706 30.358 273 H ASP 34 H ASP 34 38.817 17.084 29.240 274 HA ASP 34 HA ASP 34 38.423 16.944 32.081 275 HB2 ASP 34 HB2 ASP 34 36.665 16.122 29.769 276 HB3 ASP 34 HB3 ASP 34 36.160 16.125 31.457 277 H TYR 35 H TYR 35 39.844 14.695 29.967 278 HA TYR 35 HA TYR 35 38.666 12.307 30.972 279 HB2 TYR 35 HB2 TYR 35 41.039 12.982 29.325 280 HB3 TYR 35 HB3 TYR 35 41.045 11.416 30.116 281 HD1 TYR 35 HD1 TYR 35 39.901 9.608 29.171 282 HD2 TYR 35 HD2 TYR 35 38.958 13.603 27.908 283 HE1 TYR 35 HE1 TYR 35 38.435 8.697 27.392 284 HE2 TYR 35 HE2 TYR 35 37.491 12.692 26.127 285 HH TYR 35 HH TYR 35 37.264 10.541 24.882 286 HA PRO 36 HA PRO 36 40.736 12.088 34.848 287 HB2 PRO 36 HB2 PRO 36 40.628 9.457 35.451 288 HB3 PRO 36 HB3 PRO 36 39.169 10.466 35.375 289 HG2 PRO 36 HG2 PRO 36 40.235 8.538 33.379 290 HG3 PRO 36 HG3 PRO 36 38.560 8.853 33.865 291 HD2 PRO 36 HD2 PRO 36 39.711 9.879 31.573 292 HD3 PRO 36 HD3 PRO 36 38.322 10.605 32.405 293 H ALA 37 H ALA 37 42.640 11.452 35.969 294 HA ALA 37 HA ALA 37 44.984 11.388 34.487 295 HB1 ALA 37 HB1 ALA 37 46.103 11.233 36.507 296 HB2 ALA 37 HB2 ALA 37 44.922 10.119 37.196 297 HB3 ALA 37 HB3 ALA 37 44.532 11.831 37.040 298 H GLY 38 H GLY 38 46.568 9.761 34.147 299 HA2 GLY 38 HA2 GLY 38 47.299 7.522 33.952 300 HA3 GLY 38 HA3 GLY 38 45.665 6.977 34.311 301 H GLU 39 H GLU 39 44.326 8.682 32.364 302 HA GLU 39 HA GLU 39 44.379 6.905 30.177 303 HB2 GLU 39 HB2 GLU 39 43.304 9.731 30.341 304 HB3 GLU 39 HB3 GLU 39 42.951 8.587 29.046 305 HG2 GLU 39 HG2 GLU 39 42.339 8.144 31.979 306 HG3 GLU 39 HG3 GLU 39 41.164 8.605 30.755 307 H LEU 40 H LEU 40 45.970 10.019 30.710 308 HA LEU 40 HA LEU 40 46.859 10.476 28.076 309 HB2 LEU 40 HB2 LEU 40 46.908 12.149 29.922 310 HB3 LEU 40 HB3 LEU 40 48.226 11.248 30.667 311 HG LEU 40 HG LEU 40 49.450 11.521 28.410 312 HD11 LEU 40 HD11 LEU 40 48.695 13.613 27.196 313 HD12 LEU 40 HD12 LEU 40 47.203 13.530 28.131 314 HD13 LEU 40 HD13 LEU 40 47.619 12.227 27.019 315 HD21 LEU 40 HD21 LEU 40 50.488 13.449 29.212 316 HD22 LEU 40 HD22 LEU 40 49.692 12.859 30.671 317 HD23 LEU 40 HD23 LEU 40 48.968 14.170 29.741 318 H LEU 41 H LEU 41 48.416 8.824 30.821 319 HA LEU 41 HA LEU 41 50.893 8.368 29.565 320 HB2 LEU 41 HB2 LEU 41 50.456 8.141 32.012 321 HB3 LEU 41 HB3 LEU 41 49.573 6.651 31.680 322 HG LEU 41 HG LEU 41 51.698 5.836 30.494 323 HD11 LEU 41 HD11 LEU 41 53.787 6.955 31.336 324 HD12 LEU 41 HD12 LEU 41 52.776 8.252 31.971 325 HD13 LEU 41 HD13 LEU 41 52.841 7.956 30.235 326 HD21 LEU 41 HD21 LEU 41 52.859 5.526 32.833 327 HD22 LEU 41 HD22 LEU 41 51.284 4.790 32.541 328 HD23 LEU 41 HD23 LEU 41 51.398 6.298 33.449 329 H ALA 42 H ALA 42 47.934 6.412 29.674 330 HA ALA 42 HA ALA 42 49.048 4.082 28.543 331 HB1 ALA 42 HB1 ALA 42 46.789 3.343 28.211 332 HB2 ALA 42 HB2 ALA 42 46.182 4.998 28.251 333 HB3 ALA 42 HB3 ALA 42 46.820 4.258 29.718 334 H ARG 43 H ARG 43 47.342 6.817 27.019 335 HA ARG 43 HA ARG 43 47.401 5.784 24.394 336 HB2 ARG 43 HB2 ARG 43 47.429 8.672 25.301 337 HB3 ARG 43 HB3 ARG 43 47.096 8.127 23.657 338 HG2 ARG 43 HG2 ARG 43 45.201 6.752 24.561 339 HG3 ARG 43 HG3 ARG 43 45.481 7.490 26.140 340 HD2 ARG 43 HD2 ARG 43 45.210 9.748 25.012 341 HD3 ARG 43 HD3 ARG 43 44.674 8.880 23.579 342 HE ARG 43 HE ARG 43 42.695 8.300 24.689 343 HH11 ARG 43 HH11 ARG 43 44.846 9.995 26.895 344 HH12 ARG 43 HH12 ARG 43 43.612 10.196 28.091 345 HH21 ARG 43 HH21 ARG 43 41.158 8.587 26.274 346 HH22 ARG 43 HH22 ARG 43 41.556 9.408 27.746 347 H VAL 44 H VAL 44 49.756 7.740 26.186 348 HA VAL 44 HA VAL 44 51.431 8.350 24.013 349 HB VAL 44 HB VAL 44 52.129 8.009 26.942 350 HG11 VAL 44 HG11 VAL 44 54.144 7.968 25.525 351 HG12 VAL 44 HG12 VAL 44 54.049 9.484 26.421 352 HG13 VAL 44 HG13 VAL 44 53.612 9.440 24.713 353 HG21 VAL 44 HG21 VAL 44 50.332 9.739 26.104 354 HG22 VAL 44 HG22 VAL 44 51.733 10.622 25.506 355 HG23 VAL 44 HG23 VAL 44 51.585 10.265 27.226 356 H ARG 45 H ARG 45 51.478 5.619 26.289 357 HA ARG 45 HA ARG 45 53.887 4.493 25.284 358 HB2 ARG 45 HB2 ARG 45 52.946 4.046 27.543 359 HB3 ARG 45 HB3 ARG 45 51.662 3.104 26.787 360 HG2 ARG 45 HG2 ARG 45 53.373 1.618 25.772 361 HG3 ARG 45 HG3 ARG 45 54.635 2.534 26.600 362 HD2 ARG 45 HD2 ARG 45 53.545 1.983 28.779 363 HD3 ARG 45 HD3 ARG 45 52.390 0.976 27.911 364 HE ARG 45 HE ARG 45 55.190 0.348 27.431 365 HH11 ARG 45 HH11 ARG 45 52.345 -0.389 29.352 366 HH12 ARG 45 HH12 ARG 45 52.933 -1.954 29.804 367 HH21 ARG 45 HH21 ARG 45 55.894 -1.676 28.047 368 HH22 ARG 45 HH22 ARG 45 54.918 -2.672 29.073 369 H ALA 46 H ALA 46 50.465 3.602 24.737 370 HA ALA 46 HA ALA 46 51.088 1.337 23.146 371 HB1 ALA 46 HB1 ALA 46 48.603 2.927 23.677 372 HB2 ALA 46 HB2 ALA 46 48.965 1.250 24.086 373 HB3 ALA 46 HB3 ALA 46 48.607 1.694 22.417 374 H GLU 47 H GLU 47 50.134 4.664 22.282 375 HA GLU 47 HA GLU 47 50.206 4.087 19.459 376 HB2 GLU 47 HB2 GLU 47 49.993 6.701 20.960 377 HB3 GLU 47 HB3 GLU 47 49.813 6.521 19.214 378 HG2 GLU 47 HG2 GLU 47 48.114 5.119 21.296 379 HG3 GLU 47 HG3 GLU 47 47.620 6.532 20.372 380 H ARG 48 H ARG 48 52.684 4.740 21.704 381 HA ARG 48 HA ARG 48 54.870 5.413 21.501 382 HB2 ARG 48 HB2 ARG 48 54.367 4.502 18.656 383 HB3 ARG 48 HB3 ARG 48 55.961 4.859 19.326 384 HG2 ARG 48 HG2 ARG 48 55.548 3.147 21.101 385 HG3 ARG 48 HG3 ARG 48 54.031 2.733 20.302 386 HD2 ARG 48 HD2 ARG 48 56.802 2.531 19.089 387 HD3 ARG 48 HD3 ARG 48 55.791 1.183 19.601 388 HE ARG 48 HE ARG 48 55.482 2.782 17.190 389 HH11 ARG 48 HH11 ARG 48 53.957 0.477 19.356 390 HH12 ARG 48 HH12 ARG 48 52.811 -0.036 18.163 391 HH21 ARG 48 HH21 ARG 48 53.982 2.080 15.697 392 HH22 ARG 48 HH22 ARG 48 52.826 0.861 16.117 393 H LEU 49 H LEU 49 53.447 7.553 21.718 394 HA LEU 49 HA LEU 49 53.245 9.229 19.420 395 HB2 LEU 49 HB2 LEU 49 53.146 9.928 22.363 396 HB3 LEU 49 HB3 LEU 49 52.744 11.037 21.055 397 HG LEU 49 HG LEU 49 51.358 8.380 21.526 398 HD11 LEU 49 HD11 LEU 49 51.067 10.290 23.271 399 HD12 LEU 49 HD12 LEU 49 49.613 9.558 22.591 400 HD13 LEU 49 HD13 LEU 49 50.179 11.117 21.991 401 HD21 LEU 49 HD21 LEU 49 49.650 9.699 20.008 402 HD22 LEU 49 HD22 LEU 49 51.029 8.893 19.264 403 HD23 LEU 49 HD23 LEU 49 51.076 10.632 19.550 404 H ASN 50 H ASN 50 54.435 10.938 18.756 405 HA ASN 50 HA ASN 50 57.261 10.873 19.488 406 HB2 ASN 50 HB2 ASN 50 55.744 12.251 17.268 407 HB3 ASN 50 HB3 ASN 50 57.480 12.420 17.523 408 HD21 ASN 50 HD21 ASN 50 58.809 10.816 16.638 409 HD22 ASN 50 HD22 ASN 50 58.229 9.382 15.944 410 H GLY 51 H GLY 51 54.488 13.101 19.459 411 HA2 GLY 51 HA2 GLY 51 55.995 14.907 21.223 412 HA3 GLY 51 HA3 GLY 51 55.481 15.560 19.678 413 H LEU 52 H LEU 52 54.797 16.609 22.134 414 HA LEU 52 HA LEU 52 51.855 16.259 22.129 415 HB2 LEU 52 HB2 LEU 52 53.576 17.032 24.502 416 HB3 LEU 52 HB3 LEU 52 51.827 16.813 24.502 417 HG LEU 52 HG LEU 52 53.837 14.637 23.848 418 HD11 LEU 52 HD11 LEU 52 54.057 15.056 26.174 419 HD12 LEU 52 HD12 LEU 52 52.911 13.719 26.074 420 HD13 LEU 52 HD13 LEU 52 52.330 15.359 26.366 421 HD21 LEU 52 HD21 LEU 52 51.709 14.256 22.743 422 HD22 LEU 52 HD22 LEU 52 50.826 14.653 24.216 423 HD23 LEU 52 HD23 LEU 52 51.797 13.183 24.139 424 H VAL 53 H VAL 53 50.640 18.177 22.122 425 HA VAL 53 HA VAL 53 52.207 20.688 21.859 426 HB VAL 53 HB VAL 53 49.657 19.956 20.395 427 HG11 VAL 53 HG11 VAL 53 50.482 22.021 19.027 428 HG12 VAL 53 HG12 VAL 53 51.421 22.394 20.472 429 HG13 VAL 53 HG13 VAL 53 49.663 22.297 20.564 430 HG21 VAL 53 HG21 VAL 53 51.927 18.792 19.731 431 HG22 VAL 53 HG22 VAL 53 52.331 20.380 19.085 432 HG23 VAL 53 HG23 VAL 53 50.922 19.516 18.479 433 H VAL 54 H VAL 54 51.658 22.291 23.216 434 HA VAL 54 HA VAL 54 48.899 22.330 24.302 435 HB VAL 54 HB VAL 54 49.860 23.593 26.261 436 HG11 VAL 54 HG11 VAL 54 49.191 21.462 26.807 437 HG12 VAL 54 HG12 VAL 54 50.904 21.372 27.214 438 HG13 VAL 54 HG13 VAL 54 50.321 20.693 25.693 439 HG21 VAL 54 HG21 VAL 54 52.489 22.313 25.538 440 HG22 VAL 54 HG22 VAL 54 52.160 23.579 26.722 441 HG23 VAL 54 HG23 VAL 54 52.103 23.947 24.996 442 H SER 55 H SER 55 47.866 24.272 24.407 443 HA SER 55 HA SER 55 49.030 26.405 22.758 444 HB2 SER 55 HB2 SER 55 46.639 25.332 22.494 445 HB3 SER 55 HB3 SER 55 46.222 26.468 23.772 446 HG SER 55 HG SER 55 46.110 27.756 22.111 447 H SER 56 H SER 56 48.328 25.727 26.100 448 HA SER 56 HA SER 56 49.029 28.459 26.821 449 HB2 SER 56 HB2 SER 56 47.012 28.938 28.047 450 HB3 SER 56 HB3 SER 56 46.564 28.514 26.399 451 HG SER 56 HG SER 56 45.965 27.282 28.685 452 H GLY 57 H GLY 57 49.275 28.756 29.144 453 HA2 GLY 57 HA2 GLY 57 50.741 26.741 30.396 454 HA3 GLY 57 HA3 GLY 57 50.021 28.117 31.226 455 H GLN 58 H GLN 58 47.274 27.470 30.572 456 HA GLN 58 HA GLN 58 46.632 25.897 32.805 457 HB2 GLN 58 HB2 GLN 58 44.940 26.464 30.359 458 HB3 GLN 58 HB3 GLN 58 44.341 25.891 31.914 459 HG2 GLN 58 HG2 GLN 58 45.766 28.522 31.423 460 HG3 GLN 58 HG3 GLN 58 44.040 28.323 31.711 461 HE21 GLN 58 HE21 GLN 58 46.618 29.441 33.301 462 HE22 GLN 58 HE22 GLN 58 46.293 28.897 34.875 463 H GLY 59 H GLY 59 46.670 25.033 29.339 464 HA2 GLY 59 HA2 GLY 59 45.860 22.363 29.620 465 HA3 GLY 59 HA3 GLY 59 46.832 22.995 28.293 466 H LEU 60 H LEU 60 49.100 23.829 29.681 467 HA LEU 60 HA LEU 60 50.616 21.481 29.764 468 HB2 LEU 60 HB2 LEU 60 51.528 23.773 29.444 469 HB3 LEU 60 HB3 LEU 60 51.226 24.103 31.151 470 HG LEU 60 HG LEU 60 52.665 22.087 31.695 471 HD11 LEU 60 HD11 LEU 60 54.316 21.638 29.707 472 HD12 LEU 60 HD12 LEU 60 52.986 22.225 28.710 473 HD13 LEU 60 HD13 LEU 60 52.759 20.811 29.738 474 HD21 LEU 60 HD21 LEU 60 54.274 24.061 30.098 475 HD22 LEU 60 HD22 LEU 60 54.614 23.374 31.686 476 HD23 LEU 60 HD23 LEU 60 53.375 24.616 31.510 477 H GLN 61 H GLN 61 49.210 23.373 32.419 478 HA GLN 61 HA GLN 61 50.291 21.851 34.535 479 HB2 GLN 61 HB2 GLN 61 47.728 23.457 34.415 480 HB3 GLN 61 HB3 GLN 61 48.446 22.825 35.894 481 HG2 GLN 61 HG2 GLN 61 49.780 24.762 33.981 482 HG3 GLN 61 HG3 GLN 61 49.077 25.184 35.540 483 HE21 GLN 61 HE21 GLN 61 52.023 24.822 34.238 484 HE22 GLN 61 HE22 GLN 61 52.866 24.133 35.540 485 H ASN 62 H ASN 62 47.208 21.577 32.793 486 HA ASN 62 HA ASN 62 46.141 19.426 34.245 487 HB2 ASN 62 HB2 ASN 62 45.794 20.074 31.311 488 HB3 ASN 62 HB3 ASN 62 44.756 19.011 32.262 489 HD21 ASN 62 HD21 ASN 62 44.457 21.885 30.953 490 HD22 ASN 62 HD22 ASN 62 43.694 22.762 32.190 491 H LEU 63 H LEU 63 48.387 19.481 31.508 492 HA LEU 63 HA LEU 63 48.479 16.755 30.897 493 HB2 LEU 63 HB2 LEU 63 49.633 18.617 29.640 494 HB3 LEU 63 HB3 LEU 63 50.843 18.644 30.919 495 HG LEU 63 HG LEU 63 50.996 16.060 30.440 496 HD11 LEU 63 HD11 LEU 63 49.005 16.401 28.767 497 HD12 LEU 63 HD12 LEU 63 50.338 15.339 28.312 498 HD13 LEU 63 HD13 LEU 63 50.262 16.978 27.674 499 HD21 LEU 63 HD21 LEU 63 52.116 18.027 28.422 500 HD22 LEU 63 HD22 LEU 63 52.820 16.485 28.910 501 HD23 LEU 63 HD23 LEU 63 52.761 17.828 30.052 502 H TYR 64 H TYR 64 50.297 18.639 33.275 503 HA TYR 64 HA TYR 64 51.985 16.600 34.211 504 HB2 TYR 64 HB2 TYR 64 52.133 19.074 34.678 505 HB3 TYR 64 HB3 TYR 64 50.834 18.866 35.836 506 HD1 TYR 64 HD1 TYR 64 51.224 17.758 37.976 507 HD2 TYR 64 HD2 TYR 64 54.368 18.171 35.075 508 HE1 TYR 64 HE1 TYR 64 52.900 17.161 39.704 509 HE2 TYR 64 HE2 TYR 64 56.032 17.580 36.793 510 HH TYR 64 HH TYR 64 55.613 17.705 39.869 511 H GLN 65 H GLN 65 48.795 17.665 35.356 512 HA GLN 65 HA GLN 65 48.651 15.960 37.594 513 HB2 GLN 65 HB2 GLN 65 46.443 17.148 35.900 514 HB3 GLN 65 HB3 GLN 65 46.191 16.351 37.455 515 HG2 GLN 65 HG2 GLN 65 47.630 17.985 38.565 516 HG3 GLN 65 HG3 GLN 65 47.985 18.755 37.020 517 HE21 GLN 65 HE21 GLN 65 46.788 20.205 39.184 518 HE22 GLN 65 HE22 GLN 65 45.207 20.624 38.731 519 H LEU 66 H LEU 66 47.531 15.500 34.256 520 HA LEU 66 HA LEU 66 46.360 12.957 34.713 521 HB2 LEU 66 HB2 LEU 66 47.393 14.209 32.159 522 HB3 LEU 66 HB3 LEU 66 46.459 12.716 32.230 523 HG LEU 66 HG LEU 66 45.494 15.376 33.323 524 HD11 LEU 66 HD11 LEU 66 45.174 14.029 30.651 525 HD12 LEU 66 HD12 LEU 66 45.473 15.731 31.007 526 HD13 LEU 66 HD13 LEU 66 43.873 15.041 31.280 527 HD21 LEU 66 HD21 LEU 66 43.272 14.097 33.165 528 HD22 LEU 66 HD22 LEU 66 44.374 13.593 34.447 529 HD23 LEU 66 HD23 LEU 66 44.249 12.640 32.968 530 H ALA 67 H ALA 67 49.628 13.938 33.813 531 HA ALA 67 HA ALA 67 50.671 11.423 33.154 532 HB1 ALA 67 HB1 ALA 67 52.862 12.411 33.855 533 HB2 ALA 67 HB2 ALA 67 51.985 13.811 34.471 534 HB3 ALA 67 HB3 ALA 67 51.949 13.435 32.747 535 H ALA 68 H ALA 68 50.303 13.022 36.304 536 HA ALA 68 HA ALA 68 50.203 12.143 38.421 537 HB1 ALA 68 HB1 ALA 68 48.666 10.549 36.857 538 HB2 ALA 68 HB2 ALA 68 48.879 10.283 38.588 539 HB3 ALA 68 HB3 ALA 68 49.840 9.364 37.431 540 H ALA 69 H ALA 69 51.176 9.153 38.833 541 HA ALA 69 HA ALA 69 53.708 9.892 39.799 542 HB1 ALA 69 HB1 ALA 69 53.097 7.042 39.150 543 HB2 ALA 69 HB2 ALA 69 52.113 7.869 40.357 544 HB3 ALA 69 HB3 ALA 69 53.857 7.732 40.584 545 H ASP 70 H ASP 70 52.777 9.037 36.573 546 HA ASP 70 HA ASP 70 55.424 7.963 35.917 547 HB2 ASP 70 HB2 ASP 70 52.927 8.264 34.245 548 HB3 ASP 70 HB3 ASP 70 54.420 7.489 33.716 549 H TRP 71 H TRP 71 54.501 11.038 36.308 550 HA TRP 71 HA TRP 71 54.956 12.428 33.996 551 HB2 TRP 71 HB2 TRP 71 54.319 13.585 35.953 552 HB3 TRP 71 HB3 TRP 71 55.740 13.065 36.825 553 HD1 TRP 71 HD1 TRP 71 57.509 14.836 37.058 554 HE1 TRP 71 HE1 TRP 71 58.165 16.980 35.791 555 HE3 TRP 71 HE3 TRP 71 54.218 14.620 33.151 556 HZ2 TRP 71 HZ2 TRP 71 57.430 18.402 33.432 557 HZ3 TRP 71 HZ3 TRP 71 54.229 16.377 31.408 558 HH2 TRP 71 HH2 TRP 71 55.831 18.268 31.541 559 HA PRO 72 HA PRO 72 59.867 12.168 34.833 560 HB2 PRO 72 HB2 PRO 72 59.676 9.240 35.453 561 HB3 PRO 72 HB3 PRO 72 60.901 10.423 35.959 562 HG2 PRO 72 HG2 PRO 72 58.985 9.616 37.616 563 HG3 PRO 72 HG3 PRO 72 59.587 11.283 37.624 564 HD2 PRO 72 HD2 PRO 72 56.980 10.248 36.680 565 HD3 PRO 72 HD3 PRO 72 57.418 11.880 37.225 566 H GLU 73 H GLU 73 57.825 9.475 33.628 567 HA GLU 73 HA GLU 73 59.641 8.909 31.449 568 HB2 GLU 73 HB2 GLU 73 56.826 7.954 32.017 569 HB3 GLU 73 HB3 GLU 73 57.849 7.351 30.713 570 HG2 GLU 73 HG2 GLU 73 59.558 6.693 32.397 571 HG3 GLU 73 HG3 GLU 73 58.472 7.220 33.676 572 H ILE 74 H ILE 74 56.416 10.369 31.770 573 HA ILE 74 HA ILE 74 55.960 10.818 29.035 574 HB ILE 74 HB ILE 74 54.911 12.312 31.453 575 HG12 ILE 74 HG12 ILE 74 53.642 10.105 29.811 576 HG13 ILE 74 HG13 ILE 74 54.541 9.805 31.294 577 HG21 ILE 74 HG21 ILE 74 54.628 13.540 29.262 578 HG22 ILE 74 HG22 ILE 74 53.111 13.080 30.030 579 HG23 ILE 74 HG23 ILE 74 53.724 12.146 28.665 580 HD11 ILE 74 HD11 ILE 74 52.908 10.702 32.634 581 HD12 ILE 74 HD12 ILE 74 51.888 10.179 31.295 582 HD13 ILE 74 HD13 ILE 74 52.383 11.865 31.418 583 H GLY 75 H GLY 75 57.590 12.793 31.454 584 HA2 GLY 75 HA2 GLY 75 57.729 15.212 30.037 585 HA3 GLY 75 HA3 GLY 75 58.812 14.725 31.330 586 H ARG 76 H ARG 76 59.401 12.270 29.448 587 HA ARG 76 HA ARG 76 61.840 13.247 28.401 588 HB2 ARG 76 HB2 ARG 76 60.289 10.717 27.811 589 HB3 ARG 76 HB3 ARG 76 61.961 11.014 27.322 590 HG2 ARG 76 HG2 ARG 76 62.627 11.296 29.655 591 HG3 ARG 76 HG3 ARG 76 60.960 11.084 30.184 592 HD2 ARG 76 HD2 ARG 76 62.096 8.993 30.497 593 HD3 ARG 76 HD3 ARG 76 61.005 8.800 29.127 594 HE ARG 76 HE ARG 76 63.737 9.578 28.473 595 HH11 ARG 76 HH11 ARG 76 61.467 6.920 28.796 596 HH12 ARG 76 HH12 ARG 76 62.412 5.861 27.804 597 HH21 ARG 76 HH21 ARG 76 64.911 8.169 27.204 598 HH22 ARG 76 HH22 ARG 76 64.337 6.560 26.915 599 H LEU 77 H LEU 77 58.616 13.057 27.035 600 HA LEU 77 HA LEU 77 59.496 12.984 24.311 601 HB2 LEU 77 HB2 LEU 77 56.798 13.459 25.578 602 HB3 LEU 77 HB3 LEU 77 57.052 13.419 23.833 603 HG LEU 77 HG LEU 77 58.066 11.167 25.547 604 HD11 LEU 77 HD11 LEU 77 55.266 11.404 24.402 605 HD12 LEU 77 HD12 LEU 77 55.669 11.496 26.117 606 HD13 LEU 77 HD13 LEU 77 55.935 9.996 25.228 607 HD21 LEU 77 HD21 LEU 77 58.724 11.371 23.151 608 HD22 LEU 77 HD22 LEU 77 57.018 11.318 22.702 609 HD23 LEU 77 HD23 LEU 77 57.774 9.916 23.460 610 HA PRO 78 HA PRO 78 59.993 17.382 23.603 611 HB2 PRO 78 HB2 PRO 78 58.972 17.610 21.031 612 HB3 PRO 78 HB3 PRO 78 60.613 17.060 21.421 613 HG2 PRO 78 HG2 PRO 78 58.191 15.467 20.761 614 HG3 PRO 78 HG3 PRO 78 59.877 15.224 20.263 615 HD2 PRO 78 HD2 PRO 78 58.784 13.736 22.229 616 HD3 PRO 78 HD3 PRO 78 60.486 14.242 22.284 617 H LEU 79 H LEU 79 58.748 18.968 24.420 618 HA LEU 79 HA LEU 79 55.837 18.927 23.903 619 HB2 LEU 79 HB2 LEU 79 56.613 18.984 26.277 620 HB3 LEU 79 HB3 LEU 79 57.380 20.538 25.948 621 HG LEU 79 HG LEU 79 55.095 21.349 25.146 622 HD11 LEU 79 HD11 LEU 79 53.904 19.325 24.793 623 HD12 LEU 79 HD12 LEU 79 53.205 20.002 26.264 624 HD13 LEU 79 HD13 LEU 79 54.370 18.683 26.368 625 HD21 LEU 79 HD21 LEU 79 54.966 20.513 28.032 626 HD22 LEU 79 HD22 LEU 79 54.536 22.061 27.302 627 HD23 LEU 79 HD23 LEU 79 56.233 21.622 27.501 628 H PHE 80 H PHE 80 55.042 20.319 22.457 629 HA PHE 80 HA PHE 80 56.653 22.557 21.478 630 HB2 PHE 80 HB2 PHE 80 53.895 21.574 20.721 631 HB3 PHE 80 HB3 PHE 80 54.720 22.906 19.952 632 HD1 PHE 80 HD1 PHE 80 53.963 19.489 19.758 633 HD2 PHE 80 HD2 PHE 80 57.137 22.274 18.963 634 HE1 PHE 80 HE1 PHE 80 54.929 17.913 18.109 635 HE2 PHE 80 HE2 PHE 80 58.107 20.692 17.314 636 HZ PHE 80 HZ PHE 80 56.990 18.518 16.877 637 H VAL 81 H VAL 81 56.433 24.573 22.331 638 HA VAL 81 HA VAL 81 53.867 25.268 23.642 639 HB VAL 81 HB VAL 81 55.110 26.804 25.070 640 HG11 VAL 81 HG11 VAL 81 56.255 23.997 25.009 641 HG12 VAL 81 HG12 VAL 81 54.785 24.506 25.842 642 HG13 VAL 81 HG13 VAL 81 56.354 25.101 26.381 643 HG21 VAL 81 HG21 VAL 81 57.740 26.319 24.973 644 HG22 VAL 81 HG22 VAL 81 56.998 27.567 23.973 645 HG23 VAL 81 HG23 VAL 81 57.367 25.989 23.282 646 HA PRO 82 HA PRO 82 53.584 28.300 20.477 647 HB2 PRO 82 HB2 PRO 82 51.742 30.012 21.462 648 HB3 PRO 82 HB3 PRO 82 51.336 28.349 20.995 649 HG2 PRO 82 HG2 PRO 82 51.735 29.510 23.691 650 HG3 PRO 82 HG3 PRO 82 50.617 28.246 23.154 651 HD2 PRO 82 HD2 PRO 82 53.039 27.792 24.466 652 HD3 PRO 82 HD3 PRO 82 52.131 26.582 23.535 653 H SER 83 H SER 83 54.598 29.368 23.648 654 HA SER 83 HA SER 83 55.765 31.797 22.476 655 HB2 SER 83 HB2 SER 83 54.741 33.281 24.010 656 HB3 SER 83 HB3 SER 83 53.432 32.263 23.422 657 HG SER 83 HG SER 83 54.082 30.967 25.355 658 HA PRO 84 HA PRO 84 59.171 31.069 25.229 659 HB2 PRO 84 HB2 PRO 84 58.945 33.851 26.268 660 HB3 PRO 84 HB3 PRO 84 60.335 33.027 25.534 661 HG2 PRO 84 HG2 PRO 84 58.955 34.877 24.213 662 HG3 PRO 84 HG3 PRO 84 59.637 33.459 23.395 663 HD2 PRO 84 HD2 PRO 84 56.793 34.012 24.134 664 HD3 PRO 84 HD3 PRO 84 57.449 33.139 22.730 665 H ARG 85 H ARG 85 56.550 33.017 26.686 666 HA ARG 85 HA ARG 85 57.120 32.482 29.374 667 HB2 ARG 85 HB2 ARG 85 55.491 34.184 28.557 668 HB3 ARG 85 HB3 ARG 85 54.379 32.875 28.154 669 HG2 ARG 85 HG2 ARG 85 54.322 32.156 30.491 670 HG3 ARG 85 HG3 ARG 85 55.506 33.393 30.921 671 HD2 ARG 85 HD2 ARG 85 53.329 34.256 31.491 672 HD3 ARG 85 HD3 ARG 85 53.888 35.125 30.065 673 HE ARG 85 HE ARG 85 52.229 34.069 28.805 674 HH11 ARG 85 HH11 ARG 85 52.339 32.645 32.012 675 HH12 ARG 85 HH12 ARG 85 50.847 31.791 31.793 676 HH21 ARG 85 HH21 ARG 85 50.316 32.946 28.581 677 HH22 ARG 85 HH22 ARG 85 49.718 31.961 29.873 678 H VAL 86 H VAL 86 54.914 30.753 27.153 679 HA VAL 86 HA VAL 86 54.103 28.770 28.973 680 HB VAL 86 HB VAL 86 54.407 28.563 25.966 681 HG11 VAL 86 HG11 VAL 86 52.530 26.869 26.282 682 HG12 VAL 86 HG12 VAL 86 52.894 26.913 28.006 683 HG13 VAL 86 HG13 VAL 86 54.114 26.353 26.863 684 HG21 VAL 86 HG21 VAL 86 51.945 29.226 27.598 685 HG22 VAL 86 HG22 VAL 86 52.127 29.310 25.846 686 HG23 VAL 86 HG23 VAL 86 52.979 30.458 26.878 687 H ALA 87 H ALA 87 56.901 28.934 26.799 688 HA ALA 87 HA ALA 87 57.878 26.336 27.134 689 HB1 ALA 87 HB1 ALA 87 59.816 27.101 26.128 690 HB2 ALA 87 HB2 ALA 87 59.783 28.638 26.993 691 HB3 ALA 87 HB3 ALA 87 58.685 28.363 25.639 692 H GLU 88 H GLU 88 58.401 29.254 29.077 693 HA GLU 88 HA GLU 88 60.291 28.192 30.867 694 HB2 GLU 88 HB2 GLU 88 58.201 30.337 31.302 695 HB3 GLU 88 HB3 GLU 88 59.533 29.999 32.407 696 HG2 GLU 88 HG2 GLU 88 61.139 30.421 30.557 697 HG3 GLU 88 HG3 GLU 88 59.793 30.839 29.507 698 H MET 89 H MET 89 56.743 28.185 30.954 699 HA MET 89 HA MET 89 56.383 27.040 33.489 700 HB2 MET 89 HB2 MET 89 54.750 26.650 30.964 701 HB3 MET 89 HB3 MET 89 54.210 26.234 32.587 702 HG2 MET 89 HG2 MET 89 54.990 29.014 31.656 703 HG3 MET 89 HG3 MET 89 53.339 28.440 31.875 704 HE1 MET 89 HE1 MET 89 52.777 27.975 35.496 705 HE2 MET 89 HE2 MET 89 53.671 26.654 34.747 706 HE3 MET 89 HE3 MET 89 52.427 27.500 33.829 707 H ALA 90 H ALA 90 56.887 25.524 30.329 708 HA ALA 90 HA ALA 90 56.571 22.847 31.137 709 HB1 ALA 90 HB1 ALA 90 58.478 23.733 28.977 710 HB2 ALA 90 HB2 ALA 90 56.729 23.793 28.758 711 HB3 ALA 90 HB3 ALA 90 57.528 22.250 29.059 712 H ARG 91 H ARG 91 59.458 24.906 31.002 713 HA ARG 91 HA ARG 91 61.322 22.931 31.762 714 HB2 ARG 91 HB2 ARG 91 61.429 25.908 32.306 715 HB3 ARG 91 HB3 ARG 91 62.796 24.797 32.348 716 HG2 ARG 91 HG2 ARG 91 61.085 25.205 29.887 717 HG3 ARG 91 HG3 ARG 91 62.549 26.134 30.200 718 HD2 ARG 91 HD2 ARG 91 62.406 23.110 29.990 719 HD3 ARG 91 HD3 ARG 91 63.000 24.194 28.740 720 HE ARG 91 HE ARG 91 64.548 24.876 30.834 721 HH11 ARG 91 HH11 ARG 91 63.760 21.722 29.510 722 HH12 ARG 91 HH12 ARG 91 65.264 21.025 30.010 723 HH21 ARG 91 HH21 ARG 91 66.467 23.924 31.453 724 HH22 ARG 91 HH22 ARG 91 66.777 22.258 31.096 725 H GLU 92 H GLU 92 59.354 25.157 33.706 726 HA GLU 92 HA GLU 92 60.574 24.668 36.185 727 HB2 GLU 92 HB2 GLU 92 58.951 26.500 35.717 728 HB3 GLU 92 HB3 GLU 92 57.658 25.302 35.685 729 HG2 GLU 92 HG2 GLU 92 57.691 26.239 37.898 730 HG3 GLU 92 HG3 GLU 92 58.356 24.613 38.013 731 H LEU 93 H LEU 93 57.984 22.925 34.507 732 HA LEU 93 HA LEU 93 57.410 21.142 36.646 733 HB2 LEU 93 HB2 LEU 93 57.027 20.693 33.682 734 HB3 LEU 93 HB3 LEU 93 56.296 19.747 34.971 735 HG LEU 93 HG LEU 93 55.822 22.698 34.442 736 HD11 LEU 93 HD11 LEU 93 53.473 21.791 34.025 737 HD12 LEU 93 HD12 LEU 93 54.197 20.181 34.022 738 HD13 LEU 93 HD13 LEU 93 54.678 21.367 32.807 739 HD21 LEU 93 HD21 LEU 93 55.598 22.385 36.803 740 HD22 LEU 93 HD22 LEU 93 54.835 20.809 36.595 741 HD23 LEU 93 HD23 LEU 93 53.957 22.278 36.165 742 H GLY 94 H GLY 94 60.087 21.216 34.449 743 HA2 GLY 94 HA2 GLY 94 61.970 19.776 34.824 744 HA3 GLY 94 HA3 GLY 94 60.866 18.516 35.348 745 H ALA 95 H ALA 95 59.831 20.174 32.473 746 HA ALA 95 HA ALA 95 59.799 17.818 30.946 747 HB1 ALA 95 HB1 ALA 95 59.585 20.740 30.283 748 HB2 ALA 95 HB2 ALA 95 58.356 19.480 30.165 749 HB3 ALA 95 HB3 ALA 95 59.668 19.546 28.988 750 H GLN 96 H GLN 96 61.341 16.756 29.900 751 HA GLN 96 HA GLN 96 64.055 17.523 30.324 752 HB2 GLN 96 HB2 GLN 96 62.865 15.271 28.689 753 HB3 GLN 96 HB3 GLN 96 64.571 15.428 29.118 754 HG2 GLN 96 HG2 GLN 96 63.958 15.418 31.518 755 HG3 GLN 96 HG3 GLN 96 62.266 15.212 31.077 756 HE21 GLN 96 HE21 GLN 96 62.349 13.125 32.305 757 HE22 GLN 96 HE22 GLN 96 63.026 11.756 31.575 758 H ARG 97 H ARG 97 61.891 17.572 27.531 759 HA ARG 97 HA ARG 97 63.916 19.182 26.098 760 HB2 ARG 97 HB2 ARG 97 63.839 16.874 25.175 761 HB3 ARG 97 HB3 ARG 97 62.124 17.096 24.834 762 HG2 ARG 97 HG2 ARG 97 62.690 19.058 23.411 763 HG3 ARG 97 HG3 ARG 97 64.403 18.736 23.690 764 HD2 ARG 97 HD2 ARG 97 62.441 16.805 22.420 765 HD3 ARG 97 HD3 ARG 97 63.638 17.761 21.549 766 HE ARG 97 HE ARG 97 64.130 15.392 23.160 767 HH11 ARG 97 HH11 ARG 97 65.580 18.199 21.631 768 HH12 ARG 97 HH12 ARG 97 67.164 17.500 21.622 769 HH21 ARG 97 HH21 ARG 97 66.191 14.544 23.121 770 HH22 ARG 97 HH22 ARG 97 67.504 15.456 22.456 771 H VAL 98 H VAL 98 63.111 21.162 25.919 772 HA VAL 98 HA VAL 98 60.203 21.493 25.449 773 HB VAL 98 HB VAL 98 62.167 23.473 26.637 774 HG11 VAL 98 HG11 VAL 98 60.201 24.817 27.106 775 HG12 VAL 98 HG12 VAL 98 59.139 23.556 26.481 776 HG13 VAL 98 HG13 VAL 98 60.208 24.432 25.385 777 HG21 VAL 98 HG21 VAL 98 61.833 21.737 28.256 778 HG22 VAL 98 HG22 VAL 98 60.117 21.616 27.874 779 HG23 VAL 98 HG23 VAL 98 60.734 23.036 28.717 780 H ILE 99 H ILE 99 59.559 22.419 23.613 781 HA ILE 99 HA ILE 99 61.615 23.532 21.799 782 HB ILE 99 HB ILE 99 59.159 21.878 21.151 783 HG12 ILE 99 HG12 ILE 99 62.083 21.211 20.730 784 HG13 ILE 99 HG13 ILE 99 61.181 20.705 22.157 785 HG21 ILE 99 HG21 ILE 99 60.484 21.912 18.832 786 HG22 ILE 99 HG22 ILE 99 61.052 23.458 19.460 787 HG23 ILE 99 HG23 ILE 99 59.325 23.171 19.254 788 HD11 ILE 99 HD11 ILE 99 61.129 18.895 20.542 789 HD12 ILE 99 HD12 ILE 99 60.565 19.989 19.278 790 HD13 ILE 99 HD13 ILE 99 59.515 19.600 20.641 791 H ASP 100 H ASP 100 61.299 25.617 21.326 792 HA ASP 100 HA ASP 100 58.654 26.816 21.729 793 HB2 ASP 100 HB2 ASP 100 60.680 27.942 22.642 794 HB3 ASP 100 HB3 ASP 100 61.276 28.139 20.996 795 H CYS 101 H CYS 101 57.281 26.945 20.063 796 HA CYS 101 HA CYS 101 58.336 26.657 17.341 797 HB2 CYS 101 HB2 CYS 101 56.041 26.167 16.696 798 HB3 CYS 101 HB3 CYS 101 56.524 25.158 18.059 799 HG CYS 101 HG CYS 101 54.889 27.765 18.589 800 H ARG 102 H ARG 102 57.529 29.251 19.318 801 HA ARG 102 HA ARG 102 55.963 30.909 17.707 802 HB2 ARG 102 HB2 ARG 102 56.619 31.400 20.060 803 HB3 ARG 102 HB3 ARG 102 58.248 31.774 19.496 804 HG2 ARG 102 HG2 ARG 102 57.311 33.530 18.012 805 HG3 ARG 102 HG3 ARG 102 55.702 33.185 18.644 806 HD2 ARG 102 HD2 ARG 102 56.529 33.721 20.935 807 HD3 ARG 102 HD3 ARG 102 58.081 34.174 20.238 808 HE ARG 102 HE ARG 102 55.591 35.676 20.087 809 HH11 ARG 102 HH11 ARG 102 58.837 35.297 18.802 810 HH12 ARG 102 HH12 ARG 102 58.880 36.909 18.168 811 HH21 ARG 102 HH21 ARG 102 55.706 37.739 19.249 812 HH22 ARG 102 HH22 ARG 102 57.129 38.273 18.419 813 H GLY 103 H GLY 103 59.465 30.351 17.670 814 HA2 GLY 103 HA2 GLY 103 59.794 32.187 15.417 815 HA3 GLY 103 HA3 GLY 103 61.083 31.359 16.281 816 H ALA 104 H ALA 104 59.880 28.722 16.117 817 HA ALA 104 HA ALA 104 60.827 27.982 13.503 818 HB1 ALA 104 HB1 ALA 104 61.066 26.631 15.666 819 HB2 ALA 104 HB2 ALA 104 60.578 25.740 14.224 820 HB3 ALA 104 HB3 ALA 104 59.376 26.181 15.438 821 H SER 105 H SER 105 59.673 27.260 11.760 822 HA SER 105 HA SER 105 56.830 27.928 11.715 823 HB2 SER 105 HB2 SER 105 58.717 27.037 9.520 824 HB3 SER 105 HB3 SER 105 57.033 27.489 9.281 825 HG SER 105 HG SER 105 57.683 29.467 9.376 826 H ALA 106 H ALA 106 55.313 26.385 10.641 827 HA ALA 106 HA ALA 106 55.066 24.015 11.994 828 HB1 ALA 106 HB1 ALA 106 53.348 25.184 10.531 829 HB2 ALA 106 HB2 ALA 106 53.338 23.422 10.516 830 HB3 ALA 106 HB3 ALA 106 54.055 24.311 9.175 831 HA PRO 107 HA PRO 107 57.028 21.426 8.406 832 HB2 PRO 107 HB2 PRO 107 59.051 22.784 7.026 833 HB3 PRO 107 HB3 PRO 107 57.440 22.403 6.394 834 HG2 PRO 107 HG2 PRO 107 58.473 24.933 7.524 835 HG3 PRO 107 HG3 PRO 107 57.302 24.665 6.222 836 HD2 PRO 107 HD2 PRO 107 56.534 25.455 8.669 837 HD3 PRO 107 HD3 PRO 107 55.524 24.383 7.682 838 H ALA 108 H ALA 108 58.886 24.022 9.939 839 HA ALA 108 HA ALA 108 61.261 22.590 10.437 840 HB1 ALA 108 HB1 ALA 108 61.810 24.306 11.962 841 HB2 ALA 108 HB2 ALA 108 60.118 24.634 12.336 842 HB3 ALA 108 HB3 ALA 108 60.781 25.100 10.770 843 H LEU 109 H LEU 109 58.271 22.904 12.323 844 HA LEU 109 HA LEU 109 59.054 21.441 14.582 845 HB2 LEU 109 HB2 LEU 109 56.300 21.566 13.327 846 HB3 LEU 109 HB3 LEU 109 56.667 21.109 14.990 847 HG LEU 109 HG LEU 109 57.297 23.808 13.757 848 HD11 LEU 109 HD11 LEU 109 55.174 23.046 15.784 849 HD12 LEU 109 HD12 LEU 109 54.856 23.356 14.078 850 HD13 LEU 109 HD13 LEU 109 55.456 24.652 15.112 851 HD21 LEU 109 HD21 LEU 109 57.572 22.684 16.559 852 HD22 LEU 109 HD22 LEU 109 57.655 24.407 16.195 853 HD23 LEU 109 HD23 LEU 109 58.859 23.305 15.527 854 H LEU 110 H LEU 110 57.681 20.370 11.493 855 HA LEU 110 HA LEU 110 57.311 17.657 12.094 856 HB2 LEU 110 HB2 LEU 110 56.534 18.768 10.008 857 HB3 LEU 110 HB3 LEU 110 58.205 18.840 9.453 858 HG LEU 110 HG LEU 110 58.287 16.311 9.746 859 HD11 LEU 110 HD11 LEU 110 55.985 15.237 9.653 860 HD12 LEU 110 HD12 LEU 110 55.324 16.805 10.114 861 HD13 LEU 110 HD13 LEU 110 56.415 15.953 11.206 862 HD21 LEU 110 HD21 LEU 110 57.759 17.713 7.585 863 HD22 LEU 110 HD22 LEU 110 56.137 17.052 7.781 864 HD23 LEU 110 HD23 LEU 110 57.511 15.968 7.569 865 H ALA 111 H ALA 111 60.159 19.366 10.867 866 HA ALA 111 HA ALA 111 61.854 17.136 10.595 867 HB1 ALA 111 HB1 ALA 111 62.336 20.070 11.032 868 HB2 ALA 111 HB2 ALA 111 62.667 19.091 9.603 869 HB3 ALA 111 HB3 ALA 111 63.686 18.935 11.034 870 H ALA 112 H ALA 112 61.210 19.245 13.367 871 HA ALA 112 HA ALA 112 63.157 18.217 15.107 872 HB1 ALA 112 HB1 ALA 112 60.423 19.210 15.934 873 HB2 ALA 112 HB2 ALA 112 61.740 20.284 15.462 874 HB3 ALA 112 HB3 ALA 112 61.912 19.245 16.877 875 H LEU 113 H LEU 113 59.842 17.151 14.457 876 HA LEU 113 HA LEU 113 59.596 15.250 16.504 877 HB2 LEU 113 HB2 LEU 113 58.353 15.644 13.811 878 HB3 LEU 113 HB3 LEU 113 58.082 14.110 14.632 879 HG LEU 113 HG LEU 113 57.691 16.679 16.146 880 HD11 LEU 113 HD11 LEU 113 55.306 16.659 15.423 881 HD12 LEU 113 HD12 LEU 113 55.693 15.394 14.257 882 HD13 LEU 113 HD13 LEU 113 56.404 16.998 14.084 883 HD21 LEU 113 HD21 LEU 113 57.617 14.515 17.329 884 HD22 LEU 113 HD22 LEU 113 56.388 13.939 16.206 885 HD23 LEU 113 HD23 LEU 113 56.018 15.262 17.313 886 H THR 114 H THR 114 60.704 14.862 13.154 887 HA THR 114 HA THR 114 61.151 12.074 13.357 888 HB THR 114 HB THR 114 62.384 12.314 11.246 889 HG1 THR 114 HG1 THR 114 63.148 14.181 10.722 890 HG21 THR 114 HG21 THR 114 60.090 14.238 11.057 891 HG22 THR 114 HG22 THR 114 59.777 12.575 11.553 892 HG23 THR 114 HG23 THR 114 60.517 12.903 9.986 893 H SER 115 H SER 115 63.330 14.843 13.818 894 HA SER 115 HA SER 115 65.710 13.347 14.075 895 HB2 SER 115 HB2 SER 115 66.661 15.354 15.038 896 HB3 SER 115 HB3 SER 115 65.599 15.808 13.709 897 HG SER 115 HG SER 115 64.741 16.980 15.226 898 H ALA 116 H ALA 116 63.293 14.358 16.464 899 HA ALA 116 HA ALA 116 64.702 13.585 18.771 900 HB1 ALA 116 HB1 ALA 116 61.733 13.754 18.225 901 HB2 ALA 116 HB2 ALA 116 62.752 14.988 18.965 902 HB3 ALA 116 HB3 ALA 116 62.424 13.482 19.824 903 H ALA 117 H ALA 117 62.424 11.785 16.716 904 HA ALA 117 HA ALA 117 62.359 9.414 18.219 905 HB1 ALA 117 HB1 ALA 117 60.949 10.116 16.164 906 HB2 ALA 117 HB2 ALA 117 61.370 8.412 16.342 907 HB3 ALA 117 HB3 ALA 117 62.265 9.429 15.212 908 H LEU 118 H LEU 118 64.610 10.510 15.714 909 HA LEU 118 HA LEU 118 66.092 8.105 15.509 910 HB2 LEU 118 HB2 LEU 118 66.925 10.967 14.988 911 HB3 LEU 118 HB3 LEU 118 67.860 9.546 14.521 912 HG LEU 118 HG LEU 118 65.004 10.038 13.642 913 HD11 LEU 118 HD11 LEU 118 66.483 11.769 12.714 914 HD12 LEU 118 HD12 LEU 118 66.010 10.633 11.451 915 HD13 LEU 118 HD13 LEU 118 67.614 10.528 12.175 916 HD21 LEU 118 HD21 LEU 118 67.138 8.007 12.992 917 HD22 LEU 118 HD22 LEU 118 65.821 8.335 11.867 918 HD23 LEU 118 HD23 LEU 118 65.469 7.724 13.483 919 H GLU 119 H GLU 119 66.305 10.841 17.727 920 HA GLU 119 HA GLU 119 68.801 9.805 18.859 921 HB2 GLU 119 HB2 GLU 119 68.520 12.247 18.407 922 HB3 GLU 119 HB3 GLU 119 67.248 12.284 19.629 923 HG2 GLU 119 HG2 GLU 119 68.871 11.398 21.298 924 HG3 GLU 119 HG3 GLU 119 70.134 11.473 20.076 925 H HIS 120 H HIS 120 68.977 8.862 20.808 926 HA HIS 120 HA HIS 120 66.912 9.057 22.815 927 HB2 HIS 120 HB2 HIS 120 67.289 6.566 21.195 928 HB3 HIS 120 HB3 HIS 120 66.817 6.449 22.879 929 HD1 HIS 120 HD1 HIS 120 65.549 7.361 19.500 930 HD2 HIS 120 HD2 HIS 120 64.176 7.460 23.435 931 HE1 HIS 120 HE1 HIS 120 63.053 7.763 19.378 932 H HIS 121 H HIS 121 69.515 6.805 21.859 933 HA HIS 121 HA HIS 121 70.494 6.277 24.413 934 HB2 HIS 121 HB2 HIS 121 72.014 6.401 21.807 935 HB3 HIS 121 HB3 HIS 121 72.595 5.650 23.280 936 HD1 HIS 121 HD1 HIS 121 70.961 3.612 24.176 937 HD2 HIS 121 HD2 HIS 121 70.638 4.680 20.159 938 HE1 HIS 121 HE1 HIS 121 69.825 1.673 23.009 939 H HIS 122 H HIS 122 71.274 8.921 22.196 940 HA HIS 122 HA HIS 122 73.510 9.964 23.507 941 HB2 HIS 122 HB2 HIS 122 72.724 10.683 21.280 942 HB3 HIS 122 HB3 HIS 122 71.349 11.471 22.031 943 HD1 HIS 122 HD1 HIS 122 71.749 13.748 23.143 944 HD2 HIS 122 HD2 HIS 122 75.242 12.005 21.681 945 HE1 HIS 122 HE1 HIS 122 73.536 15.537 23.244 946 H HIS 123 H HIS 123 70.056 10.510 24.084 947 HA HIS 123 HA HIS 123 70.252 12.651 25.871 948 HB2 HIS 123 HB2 HIS 123 68.141 11.811 24.891 949 HB3 HIS 123 HB3 HIS 123 68.250 10.391 25.913 950 HD1 HIS 123 HD1 HIS 123 68.196 14.183 26.376 951 HD2 HIS 123 HD2 HIS 123 66.846 10.717 28.258 952 HE1 HIS 123 HE1 HIS 123 66.862 14.936 28.391 953 H HIS 124 H HIS 124 70.295 9.149 26.512 954 HA HIS 124 HA HIS 124 70.424 9.248 29.302 955 HB2 HIS 124 HB2 HIS 124 71.643 7.273 27.374 956 HB3 HIS 124 HB3 HIS 124 71.577 7.035 29.109 957 HD1 HIS 124 HD1 HIS 124 69.009 7.093 30.115 958 HD2 HIS 124 HD2 HIS 124 69.427 6.330 26.039 959 HE1 HIS 124 HE1 HIS 124 66.831 6.050 29.356 960 H HIS 125 H HIS 125 73.004 9.511 26.890 961 HA HIS 125 HA HIS 125 75.018 9.802 28.992 962 HB2 HIS 125 HB2 HIS 125 75.312 9.891 25.988 963 HB3 HIS 125 HB3 HIS 125 76.622 9.851 27.153 964 HD1 HIS 125 HD1 HIS 125 76.571 7.581 28.744 965 HD2 HIS 125 HD2 HIS 125 74.569 7.402 25.092 966 HE1 HIS 125 HE1 HIS 125 76.261 5.124 28.219 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 57.225 6.885 6.544 2 H2 MET 1 HT2 MET 1 58.173 8.289 6.404 3 H3 MET 1 HT3 MET 1 56.478 8.392 6.328 4 HA MET 1 HA MET 1 56.938 7.154 8.713 5 HB2 MET 1 HB2 MET 1 58.936 9.381 8.220 6 HB3 MET 1 HB3 MET 1 58.549 8.723 9.812 7 HG2 MET 1 HG2 MET 1 59.236 6.466 9.011 8 HG3 MET 1 HG3 MET 1 59.712 7.184 7.473 9 HE1 MET 1 HE1 MET 1 62.781 6.023 9.469 10 HE2 MET 1 HE2 MET 1 62.694 6.596 7.806 11 HE3 MET 1 HE3 MET 1 61.417 5.563 8.443 12 H ASP 2 H ASP 2 55.262 7.911 9.839 13 HA ASP 2 HA ASP 2 54.418 10.723 9.445 14 HB2 ASP 2 HB2 ASP 2 52.687 8.248 9.634 15 HB3 ASP 2 HB3 ASP 2 52.068 9.896 9.730 16 HA PRO 3 HA PRO 3 55.444 9.976 13.934 17 HB2 PRO 3 HB2 PRO 3 55.325 12.961 13.801 18 HB3 PRO 3 HB3 PRO 3 56.509 11.914 14.609 19 HG2 PRO 3 HG2 PRO 3 57.088 13.159 12.340 20 HG3 PRO 3 HG3 PRO 3 57.687 11.526 12.685 21 HD2 PRO 3 HD2 PRO 3 55.533 12.375 10.809 22 HD3 PRO 3 HD3 PRO 3 56.641 10.991 10.706 23 H LYS 4 H LYS 4 54.130 10.307 15.800 24 HA LYS 4 HA LYS 4 51.363 11.167 15.200 25 HB2 LYS 4 HB2 LYS 4 52.425 9.276 17.314 26 HB3 LYS 4 HB3 LYS 4 50.730 9.716 17.106 27 HG2 LYS 4 HG2 LYS 4 50.823 8.821 14.779 28 HG3 LYS 4 HG3 LYS 4 52.477 8.291 15.079 29 HD2 LYS 4 HD2 LYS 4 51.643 6.929 17.001 30 HD3 LYS 4 HD3 LYS 4 49.995 7.381 16.562 31 HE2 LYS 4 HE2 LYS 4 50.152 6.265 14.451 32 HE3 LYS 4 HE3 LYS 4 51.895 6.055 14.616 33 HZ1 LYS 4 HZ1 LYS 4 50.977 4.004 15.194 34 HZ2 LYS 4 HZ2 LYS 4 49.734 4.705 16.115 35 HZ3 LYS 4 HZ3 LYS 4 51.333 4.730 16.684 36 H VAL 5 H VAL 5 50.409 12.760 16.427 37 HA VAL 5 HA VAL 5 51.777 13.600 18.903 38 HB VAL 5 HB VAL 5 51.259 15.991 18.311 39 HG11 VAL 5 HG11 VAL 5 53.305 14.287 16.932 40 HG12 VAL 5 HG12 VAL 5 53.521 15.473 18.222 41 HG13 VAL 5 HG13 VAL 5 53.223 16.011 16.567 42 HG21 VAL 5 HG21 VAL 5 49.685 15.710 16.499 43 HG22 VAL 5 HG22 VAL 5 50.833 14.730 15.586 44 HG23 VAL 5 HG23 VAL 5 51.140 16.449 15.830 45 H LEU 6 H LEU 6 50.547 14.326 20.516 46 HA LEU 6 HA LEU 6 47.625 14.037 20.202 47 HB2 LEU 6 HB2 LEU 6 48.788 12.632 21.920 48 HB3 LEU 6 HB3 LEU 6 49.240 14.114 22.759 49 HG LEU 6 HG LEU 6 46.683 14.654 22.656 50 HD11 LEU 6 HD11 LEU 6 45.390 12.441 22.838 51 HD12 LEU 6 HD12 LEU 6 46.801 11.685 22.097 52 HD13 LEU 6 HD13 LEU 6 45.901 12.922 21.220 53 HD21 LEU 6 HD21 LEU 6 46.348 13.287 24.755 54 HD22 LEU 6 HD22 LEU 6 47.822 14.256 24.753 55 HD23 LEU 6 HD23 LEU 6 47.905 12.522 24.434 56 H ILE 7 H ILE 7 46.284 15.721 20.563 57 HA ILE 7 HA ILE 7 47.533 18.341 21.077 58 HB ILE 7 HB ILE 7 44.770 17.746 19.990 59 HG12 ILE 7 HG12 ILE 7 47.163 18.698 18.406 60 HG13 ILE 7 HG13 ILE 7 46.754 16.987 18.532 61 HG21 ILE 7 HG21 ILE 7 46.443 20.277 20.003 62 HG22 ILE 7 HG22 ILE 7 45.059 19.968 21.051 63 HG23 ILE 7 HG23 ILE 7 44.831 20.107 19.308 64 HD11 ILE 7 HD11 ILE 7 45.779 18.359 16.538 65 HD12 ILE 7 HD12 ILE 7 44.646 18.980 17.738 66 HD13 ILE 7 HD13 ILE 7 44.720 17.249 17.411 67 H MET 8 H MET 8 47.093 19.463 22.874 68 HA MET 8 HA MET 8 45.009 18.488 24.698 69 HB2 MET 8 HB2 MET 8 47.247 20.492 25.062 70 HB3 MET 8 HB3 MET 8 46.077 20.066 26.311 71 HG2 MET 8 HG2 MET 8 46.769 17.660 26.035 72 HG3 MET 8 HG3 MET 8 48.057 18.213 24.963 73 HE1 MET 8 HE1 MET 8 46.385 18.159 28.195 74 HE2 MET 8 HE2 MET 8 46.676 19.876 28.477 75 HE3 MET 8 HE3 MET 8 47.536 18.673 29.433 76 H ARG 9 H ARG 9 43.178 19.613 25.118 77 HA ARG 9 HA ARG 9 42.233 21.485 23.264 78 HB2 ARG 9 HB2 ARG 9 40.810 20.065 24.755 79 HB3 ARG 9 HB3 ARG 9 41.241 21.122 26.099 80 HG2 ARG 9 HG2 ARG 9 40.325 23.060 24.849 81 HG3 ARG 9 HG3 ARG 9 39.840 21.972 23.548 82 HD2 ARG 9 HD2 ARG 9 38.454 20.697 25.188 83 HD3 ARG 9 HD3 ARG 9 38.865 21.892 26.416 84 HE ARG 9 HE ARG 9 37.858 23.470 24.515 85 HH11 ARG 9 HH11 ARG 9 36.609 20.425 25.741 86 HH12 ARG 9 HH12 ARG 9 34.965 20.849 25.399 87 HH21 ARG 9 HH21 ARG 9 35.723 23.957 24.101 88 HH22 ARG 9 HH22 ARG 9 34.472 22.824 24.483 89 H GLY 10 H GLY 10 42.080 23.683 23.236 90 HA2 GLY 10 HA2 GLY 10 43.075 25.267 25.474 91 HA3 GLY 10 HA3 GLY 10 44.027 25.340 23.994 92 H GLU 11 H GLU 11 43.087 27.683 24.749 93 HA GLU 11 HA GLU 11 40.483 28.423 24.071 94 HB2 GLU 11 HB2 GLU 11 43.043 30.021 23.862 95 HB3 GLU 11 HB3 GLU 11 41.419 30.705 23.773 96 HG2 GLU 11 HG2 GLU 11 40.928 29.758 26.021 97 HG3 GLU 11 HG3 GLU 11 42.584 29.172 26.113 98 H GLY 12 H GLY 12 43.294 27.907 21.996 99 HA2 GLY 12 HA2 GLY 12 42.191 29.111 19.657 100 HA3 GLY 12 HA3 GLY 12 43.540 27.978 19.703 101 H GLY 13 H GLY 13 42.018 27.597 17.611 102 HA2 GLY 13 HA2 GLY 13 39.779 25.826 18.187 103 HA3 GLY 13 HA3 GLY 13 40.305 26.366 16.596 104 H ARG 14 H ARG 14 40.028 23.717 18.495 105 HA ARG 14 HA ARG 14 42.407 22.277 18.198 106 HB2 ARG 14 HB2 ARG 14 39.538 21.307 18.191 107 HB3 ARG 14 HB3 ARG 14 40.943 20.250 18.319 108 HG2 ARG 14 HG2 ARG 14 41.654 21.495 20.356 109 HG3 ARG 14 HG3 ARG 14 40.175 22.453 20.256 110 HD2 ARG 14 HD2 ARG 14 40.340 19.445 20.594 111 HD3 ARG 14 HD3 ARG 14 39.872 20.604 21.834 112 HE ARG 14 HE ARG 14 38.202 20.928 19.573 113 HH11 ARG 14 HH11 ARG 14 38.752 18.642 22.181 114 HH12 ARG 14 HH12 ARG 14 37.119 18.065 22.152 115 HH21 ARG 14 HH21 ARG 14 36.114 20.146 19.584 116 HH22 ARG 14 HH22 ARG 14 35.645 18.908 20.700 117 H GLU 15 H GLU 15 39.687 22.707 15.966 118 HA GLU 15 HA GLU 15 40.453 20.746 14.091 119 HB2 GLU 15 HB2 GLU 15 38.865 23.293 13.704 120 HB3 GLU 15 HB3 GLU 15 38.977 21.985 12.526 121 HG2 GLU 15 HG2 GLU 15 37.929 21.700 15.356 122 HG3 GLU 15 HG3 GLU 15 36.930 21.802 13.913 123 H PHE 16 H PHE 16 41.263 24.199 14.340 124 HA PHE 16 HA PHE 16 42.489 24.422 11.805 125 HB2 PHE 16 HB2 PHE 16 42.835 25.987 14.354 126 HB3 PHE 16 HB3 PHE 16 43.648 26.410 12.858 127 HD1 PHE 16 HD1 PHE 16 40.453 26.321 14.655 128 HD2 PHE 16 HD2 PHE 16 42.375 27.255 10.930 129 HE1 PHE 16 HE1 PHE 16 38.443 27.581 13.935 130 HE2 PHE 16 HE2 PHE 16 40.365 28.515 10.208 131 HZ PHE 16 HZ PHE 16 38.398 28.679 11.712 132 H LEU 17 H LEU 17 43.995 24.028 15.031 133 HA LEU 17 HA LEU 17 46.642 23.915 14.084 134 HB2 LEU 17 HB2 LEU 17 45.490 22.608 16.561 135 HB3 LEU 17 HB3 LEU 17 47.195 22.947 16.266 136 HG LEU 17 HG LEU 17 45.016 25.053 16.378 137 HD11 LEU 17 HD11 LEU 17 47.138 24.273 18.402 138 HD12 LEU 17 HD12 LEU 17 45.400 24.041 18.582 139 HD13 LEU 17 HD13 LEU 17 46.071 25.671 18.537 140 HD21 LEU 17 HD21 LEU 17 48.003 25.103 15.960 141 HD22 LEU 17 HD22 LEU 17 47.171 26.495 16.655 142 HD23 LEU 17 HD23 LEU 17 46.747 25.930 15.039 143 H ALA 18 H ALA 18 44.300 21.313 14.709 144 HA ALA 18 HA ALA 18 46.064 19.175 14.235 145 HB1 ALA 18 HB1 ALA 18 43.935 18.797 15.340 146 HB2 ALA 18 HB2 ALA 18 43.979 17.844 13.857 147 HB3 ALA 18 HB3 ALA 18 43.057 19.347 13.913 148 H GLU 19 H GLU 19 43.986 21.032 12.042 149 HA GLU 19 HA GLU 19 44.263 19.404 9.777 150 HB2 GLU 19 HB2 GLU 19 42.640 21.296 10.025 151 HB3 GLU 19 HB3 GLU 19 43.985 22.417 9.814 152 HG2 GLU 19 HG2 GLU 19 44.489 21.350 7.620 153 HG3 GLU 19 HG3 GLU 19 43.080 20.318 7.824 154 H ARG 20 H ARG 20 46.250 22.097 10.969 155 HA ARG 20 HA ARG 20 47.966 22.292 8.758 156 HB2 ARG 20 HB2 ARG 20 47.851 23.935 10.620 157 HB3 ARG 20 HB3 ARG 20 48.662 22.772 11.665 158 HG2 ARG 20 HG2 ARG 20 50.395 24.187 10.883 159 HG3 ARG 20 HG3 ARG 20 50.532 22.738 9.892 160 HD2 ARG 20 HD2 ARG 20 49.198 23.856 8.115 161 HD3 ARG 20 HD3 ARG 20 49.140 25.312 9.102 162 HE ARG 20 HE ARG 20 51.803 24.286 8.530 163 HH11 ARG 20 HH11 ARG 20 49.285 26.535 7.566 164 HH12 ARG 20 HH12 ARG 20 50.383 27.539 6.680 165 HH21 ARG 20 HH21 ARG 20 53.168 25.617 7.373 166 HH22 ARG 20 HH22 ARG 20 52.554 27.025 6.572 167 H LEU 21 H LEU 21 48.417 20.419 11.781 168 HA LEU 21 HA LEU 21 50.901 19.311 11.019 169 HB2 LEU 21 HB2 LEU 21 48.816 18.368 12.987 170 HB3 LEU 21 HB3 LEU 21 50.373 17.567 12.775 171 HG LEU 21 HG LEU 21 50.117 20.525 13.366 172 HD11 LEU 21 HD11 LEU 21 49.213 18.792 15.140 173 HD12 LEU 21 HD12 LEU 21 50.259 20.115 15.655 174 HD13 LEU 21 HD13 LEU 21 50.927 18.499 15.429 175 HD21 LEU 21 HD21 LEU 21 52.352 18.528 13.149 176 HD22 LEU 21 HD22 LEU 21 52.531 19.877 14.270 177 HD23 LEU 21 HD23 LEU 21 52.275 20.186 12.552 178 H ARG 22 H ARG 22 47.585 18.195 10.486 179 HA ARG 22 HA ARG 22 48.219 15.628 9.501 180 HB2 ARG 22 HB2 ARG 22 45.937 16.368 10.179 181 HB3 ARG 22 HB3 ARG 22 45.868 17.372 8.731 182 HG2 ARG 22 HG2 ARG 22 46.221 15.347 7.336 183 HG3 ARG 22 HG3 ARG 22 46.207 14.359 8.796 184 HD2 ARG 22 HD2 ARG 22 43.918 15.216 9.305 185 HD3 ARG 22 HD3 ARG 22 43.935 16.082 7.772 186 HE ARG 22 HE ARG 22 43.670 13.202 8.153 187 HH11 ARG 22 HH11 ARG 22 44.227 15.805 5.864 188 HH12 ARG 22 HH12 ARG 22 43.787 14.833 4.500 189 HH21 ARG 22 HH21 ARG 22 43.114 12.000 6.358 190 HH22 ARG 22 HH22 ARG 22 43.166 12.706 4.777 191 H GLY 23 H GLY 23 47.813 18.742 7.838 192 HA2 GLY 23 HA2 GLY 23 48.027 17.804 5.206 193 HA3 GLY 23 HA3 GLY 23 48.436 19.431 5.734 194 H GLN 24 H GLN 24 50.527 18.516 7.590 195 HA GLN 24 HA GLN 24 52.646 18.191 5.629 196 HB2 GLN 24 HB2 GLN 24 52.720 18.635 8.612 197 HB3 GLN 24 HB3 GLN 24 54.151 18.539 7.582 198 HG2 GLN 24 HG2 GLN 24 53.348 20.423 6.242 199 HG3 GLN 24 HG3 GLN 24 51.873 20.502 7.202 200 HE21 GLN 24 HE21 GLN 24 53.657 22.731 6.994 201 HE22 GLN 24 HE22 GLN 24 54.352 22.998 8.518 202 H GLY 25 H GLY 25 50.771 15.872 6.919 203 HA2 GLY 25 HA2 GLY 25 51.181 13.595 6.477 204 HA3 GLY 25 HA3 GLY 25 52.906 13.920 6.501 205 H VAL 26 H VAL 26 51.120 15.220 9.168 206 HA VAL 26 HA VAL 26 52.225 13.120 10.909 207 HB VAL 26 HB VAL 26 51.061 15.818 11.652 208 HG11 VAL 26 HG11 VAL 26 51.010 14.034 13.419 209 HG12 VAL 26 HG12 VAL 26 52.045 15.402 13.832 210 HG13 VAL 26 HG13 VAL 26 52.761 13.894 13.264 211 HG21 VAL 26 HG21 VAL 26 53.386 16.525 11.955 212 HG22 VAL 26 HG22 VAL 26 53.145 15.983 10.294 213 HG23 VAL 26 HG23 VAL 26 53.957 14.933 11.455 214 H GLN 27 H GLN 27 50.952 11.847 12.172 215 HA GLN 27 HA GLN 27 48.101 11.764 11.604 216 HB2 GLN 27 HB2 GLN 27 49.786 10.125 13.513 217 HB3 GLN 27 HB3 GLN 27 48.109 9.793 13.084 218 HG2 GLN 27 HG2 GLN 27 48.816 9.594 10.691 219 HG3 GLN 27 HG3 GLN 27 50.492 9.771 11.212 220 HE21 GLN 27 HE21 GLN 27 51.526 7.941 12.165 221 HE22 GLN 27 HE22 GLN 27 50.760 6.436 12.342 222 H VAL 28 H VAL 28 46.561 12.706 12.847 223 HA VAL 28 HA VAL 28 47.496 14.041 15.331 224 HB VAL 28 HB VAL 28 45.386 14.997 13.382 225 HG11 VAL 28 HG11 VAL 28 45.890 17.158 14.756 226 HG12 VAL 28 HG12 VAL 28 46.523 16.044 15.965 227 HG13 VAL 28 HG13 VAL 28 44.836 15.935 15.462 228 HG21 VAL 28 HG21 VAL 28 48.172 16.093 13.872 229 HG22 VAL 28 HG22 VAL 28 47.011 16.646 12.666 230 HG23 VAL 28 HG23 VAL 28 47.756 15.055 12.509 231 H ASP 29 H ASP 29 46.520 13.521 17.136 232 HA ASP 29 HA ASP 29 43.633 12.908 17.067 233 HB2 ASP 29 HB2 ASP 29 44.936 10.794 17.364 234 HB3 ASP 29 HB3 ASP 29 45.644 11.480 18.826 235 H TYR 30 H TYR 30 42.481 14.059 18.578 236 HA TYR 30 HA TYR 30 44.062 15.648 20.522 237 HB2 TYR 30 HB2 TYR 30 42.434 17.381 20.348 238 HB3 TYR 30 HB3 TYR 30 42.957 16.952 18.734 239 HD1 TYR 30 HD1 TYR 30 40.169 17.230 21.020 240 HD2 TYR 30 HD2 TYR 30 41.450 15.541 17.284 241 HE1 TYR 30 HE1 TYR 30 37.801 16.881 20.366 242 HE2 TYR 30 HE2 TYR 30 39.082 15.192 16.630 243 HH TYR 30 HH TYR 30 36.904 15.007 17.712 244 H LEU 31 H LEU 31 43.520 15.621 22.625 245 HA LEU 31 HA LEU 31 41.364 13.768 23.440 246 HB2 LEU 31 HB2 LEU 31 43.658 12.974 23.898 247 HB3 LEU 31 HB3 LEU 31 43.951 14.420 24.860 248 HG LEU 31 HG LEU 31 41.795 13.644 26.169 249 HD11 LEU 31 HD11 LEU 31 41.894 11.051 26.226 250 HD12 LEU 31 HD12 LEU 31 42.658 11.196 24.641 251 HD13 LEU 31 HD13 LEU 31 41.027 11.820 24.895 252 HD21 LEU 31 HD21 LEU 31 44.326 12.021 26.491 253 HD22 LEU 31 HD22 LEU 31 43.201 12.533 27.749 254 HD23 LEU 31 HD23 LEU 31 44.226 13.722 26.945 255 HA PRO 32 HA PRO 32 39.803 17.709 25.315 256 HB2 PRO 32 HB2 PRO 32 37.992 15.717 26.616 257 HB3 PRO 32 HB3 PRO 32 37.599 17.274 25.860 258 HG2 PRO 32 HG2 PRO 32 37.087 14.977 24.633 259 HG3 PRO 32 HG3 PRO 32 37.628 16.408 23.736 260 HD2 PRO 32 HD2 PRO 32 39.148 13.936 24.413 261 HD3 PRO 32 HD3 PRO 32 39.316 15.020 23.016 262 H LEU 33 H LEU 33 40.468 18.619 27.189 263 HA LEU 33 HA LEU 33 42.205 17.259 28.927 264 HB2 LEU 33 HB2 LEU 33 40.746 19.877 29.339 265 HB3 LEU 33 HB3 LEU 33 42.111 19.313 30.301 266 HG LEU 33 HG LEU 33 42.210 19.696 27.297 267 HD11 LEU 33 HD11 LEU 33 43.864 21.630 28.275 268 HD12 LEU 33 HD12 LEU 33 42.641 21.605 29.543 269 HD13 LEU 33 HD13 LEU 33 42.170 21.912 27.877 270 HD21 LEU 33 HD21 LEU 33 44.254 19.053 29.428 271 HD22 LEU 33 HD22 LEU 33 44.702 19.658 27.835 272 HD23 LEU 33 HD23 LEU 33 43.862 18.118 27.982 273 H ASP 34 H ASP 34 38.827 17.047 28.911 274 HA ASP 34 HA ASP 34 38.429 16.913 31.754 275 HB2 ASP 34 HB2 ASP 34 36.685 16.045 29.447 276 HB3 ASP 34 HB3 ASP 34 36.178 16.072 31.133 277 H TYR 35 H TYR 35 39.892 14.692 29.648 278 HA TYR 35 HA TYR 35 38.787 12.258 30.563 279 HB2 TYR 35 HB2 TYR 35 41.276 13.078 29.158 280 HB3 TYR 35 HB3 TYR 35 41.252 11.483 29.887 281 HD1 TYR 35 HD1 TYR 35 40.262 9.682 28.758 282 HD2 TYR 35 HD2 TYR 35 39.331 13.703 27.572 283 HE1 TYR 35 HE1 TYR 35 39.012 8.815 26.800 284 HE2 TYR 35 HE2 TYR 35 38.080 12.836 25.615 285 HH TYR 35 HH TYR 35 37.538 10.983 24.472 286 HA PRO 36 HA PRO 36 40.594 12.100 34.591 287 HB2 PRO 36 HB2 PRO 36 40.468 9.473 35.198 288 HB3 PRO 36 HB3 PRO 36 39.008 10.467 35.015 289 HG2 PRO 36 HG2 PRO 36 40.227 8.534 33.114 290 HG3 PRO 36 HG3 PRO 36 38.520 8.842 33.474 291 HD2 PRO 36 HD2 PRO 36 39.843 9.862 31.265 292 HD3 PRO 36 HD3 PRO 36 38.377 10.568 31.974 293 H ALA 37 H ALA 37 42.436 11.515 35.824 294 HA ALA 37 HA ALA 37 44.868 11.459 34.493 295 HB1 ALA 37 HB1 ALA 37 45.812 10.723 36.720 296 HB2 ALA 37 HB2 ALA 37 44.152 10.610 37.301 297 HB3 ALA 37 HB3 ALA 37 44.798 12.164 36.776 298 H GLY 38 H GLY 38 46.493 9.849 34.274 299 HA2 GLY 38 HA2 GLY 38 47.271 7.626 34.144 300 HA3 GLY 38 HA3 GLY 38 45.633 7.055 34.441 301 H GLU 39 H GLU 39 44.349 8.693 32.412 302 HA GLU 39 HA GLU 39 44.542 6.885 30.257 303 HB2 GLU 39 HB2 GLU 39 43.353 9.663 30.378 304 HB3 GLU 39 HB3 GLU 39 43.135 8.543 29.033 305 HG2 GLU 39 HG2 GLU 39 42.359 7.993 31.912 306 HG3 GLU 39 HG3 GLU 39 41.243 8.438 30.627 307 H LEU 40 H LEU 40 46.093 10.005 30.841 308 HA LEU 40 HA LEU 40 46.982 10.526 28.222 309 HB2 LEU 40 HB2 LEU 40 47.054 12.158 30.099 310 HB3 LEU 40 HB3 LEU 40 48.357 11.224 30.830 311 HG LEU 40 HG LEU 40 49.628 11.534 28.631 312 HD11 LEU 40 HD11 LEU 40 47.372 13.518 28.244 313 HD12 LEU 40 HD12 LEU 40 47.800 12.173 27.186 314 HD13 LEU 40 HD13 LEU 40 48.881 13.559 27.331 315 HD21 LEU 40 HD21 LEU 40 49.063 14.206 29.879 316 HD22 LEU 40 HD22 LEU 40 50.610 13.485 29.434 317 HD23 LEU 40 HD23 LEU 40 49.762 12.928 30.874 318 H LEU 41 H LEU 41 48.547 8.798 30.915 319 HA LEU 41 HA LEU 41 50.997 8.341 29.583 320 HB2 LEU 41 HB2 LEU 41 50.647 8.141 32.047 321 HB3 LEU 41 HB3 LEU 41 49.752 6.649 31.761 322 HG LEU 41 HG LEU 41 51.819 5.805 30.516 323 HD11 LEU 41 HD11 LEU 41 53.947 6.961 31.282 324 HD12 LEU 41 HD12 LEU 41 52.933 8.295 31.831 325 HD13 LEU 41 HD13 LEU 41 52.982 7.870 30.120 326 HD21 LEU 41 HD21 LEU 41 51.508 4.820 32.613 327 HD22 LEU 41 HD22 LEU 41 51.671 6.353 33.468 328 HD23 LEU 41 HD23 LEU 41 53.097 5.559 32.801 329 H ALA 42 H ALA 42 48.064 6.350 29.866 330 HA ALA 42 HA ALA 42 49.136 4.041 28.655 331 HB1 ALA 42 HB1 ALA 42 46.881 3.264 28.478 332 HB2 ALA 42 HB2 ALA 42 46.244 4.908 28.518 333 HB3 ALA 42 HB3 ALA 42 46.971 4.209 29.965 334 H ARG 43 H ARG 43 47.354 6.782 27.260 335 HA ARG 43 HA ARG 43 47.204 5.786 24.628 336 HB2 ARG 43 HB2 ARG 43 45.916 7.739 25.486 337 HB3 ARG 43 HB3 ARG 43 47.407 8.681 25.492 338 HG2 ARG 43 HG2 ARG 43 47.660 8.233 23.052 339 HG3 ARG 43 HG3 ARG 43 46.104 7.402 23.072 340 HD2 ARG 43 HD2 ARG 43 46.555 10.295 23.856 341 HD3 ARG 43 HD3 ARG 43 45.859 9.748 22.333 342 HE ARG 43 HE ARG 43 44.524 9.911 24.873 343 HH11 ARG 43 HH11 ARG 43 44.548 8.166 21.826 344 HH12 ARG 43 HH12 ARG 43 42.890 7.688 21.972 345 HH21 ARG 43 HH21 ARG 43 42.394 9.263 25.006 346 HH22 ARG 43 HH22 ARG 43 41.687 8.301 23.751 347 H VAL 44 H VAL 44 49.712 7.702 26.260 348 HA VAL 44 HA VAL 44 51.233 8.284 23.967 349 HB VAL 44 HB VAL 44 52.126 7.957 26.844 350 HG11 VAL 44 HG11 VAL 44 53.489 9.313 24.495 351 HG12 VAL 44 HG12 VAL 44 54.053 7.864 25.328 352 HG13 VAL 44 HG13 VAL 44 54.026 9.412 26.172 353 HG21 VAL 44 HG21 VAL 44 51.611 10.206 27.152 354 HG22 VAL 44 HG22 VAL 44 50.308 9.713 26.073 355 HG23 VAL 44 HG23 VAL 44 51.702 10.574 25.431 356 H ARG 45 H ARG 45 51.414 5.554 26.245 357 HA ARG 45 HA ARG 45 53.708 4.391 25.007 358 HB2 ARG 45 HB2 ARG 45 51.637 3.107 26.799 359 HB3 ARG 45 HB3 ARG 45 53.224 2.446 26.416 360 HG2 ARG 45 HG2 ARG 45 52.792 5.132 27.751 361 HG3 ARG 45 HG3 ARG 45 53.128 3.641 28.628 362 HD2 ARG 45 HD2 ARG 45 55.240 3.404 27.290 363 HD3 ARG 45 HD3 ARG 45 54.922 4.988 26.591 364 HE ARG 45 HE ARG 45 54.822 5.516 29.230 365 HH11 ARG 45 HH11 ARG 45 57.204 3.761 27.340 366 HH12 ARG 45 HH12 ARG 45 58.509 4.201 28.390 367 HH21 ARG 45 HH21 ARG 45 56.543 6.054 30.542 368 HH22 ARG 45 HH22 ARG 45 58.137 5.484 30.180 369 H ALA 46 H ALA 46 50.227 3.648 24.762 370 HA ALA 46 HA ALA 46 50.584 1.324 23.182 371 HB1 ALA 46 HB1 ALA 46 48.523 1.997 24.522 372 HB2 ALA 46 HB2 ALA 46 48.226 1.330 22.915 373 HB3 ALA 46 HB3 ALA 46 48.126 3.071 23.180 374 H GLU 47 H GLU 47 49.808 4.694 22.306 375 HA GLU 47 HA GLU 47 49.819 4.079 19.485 376 HB2 GLU 47 HB2 GLU 47 49.725 6.714 20.959 377 HB3 GLU 47 HB3 GLU 47 49.539 6.528 19.214 378 HG2 GLU 47 HG2 GLU 47 47.613 5.003 19.611 379 HG3 GLU 47 HG3 GLU 47 47.769 5.289 21.339 380 H ARG 48 H ARG 48 52.340 4.652 21.704 381 HA ARG 48 HA ARG 48 54.550 5.222 21.479 382 HB2 ARG 48 HB2 ARG 48 54.001 4.224 18.677 383 HB3 ARG 48 HB3 ARG 48 55.612 4.537 19.325 384 HG2 ARG 48 HG2 ARG 48 55.115 2.934 21.187 385 HG3 ARG 48 HG3 ARG 48 53.593 2.541 20.389 386 HD2 ARG 48 HD2 ARG 48 56.366 2.170 19.223 387 HD3 ARG 48 HD3 ARG 48 55.309 0.890 19.807 388 HE ARG 48 HE ARG 48 54.172 2.552 17.712 389 HH11 ARG 48 HH11 ARG 48 55.990 -0.369 18.412 390 HH12 ARG 48 HH12 ARG 48 55.597 -1.096 16.890 391 HH21 ARG 48 HH21 ARG 48 53.702 1.565 15.770 392 HH22 ARG 48 HH22 ARG 48 54.319 -0.013 15.414 393 H LEU 49 H LEU 49 53.241 7.428 21.617 394 HA LEU 49 HA LEU 49 53.181 9.065 19.277 395 HB2 LEU 49 HB2 LEU 49 53.055 9.830 22.203 396 HB3 LEU 49 HB3 LEU 49 52.722 10.920 20.859 397 HG LEU 49 HG LEU 49 51.215 8.339 21.381 398 HD11 LEU 49 HD11 LEU 49 50.308 11.197 21.813 399 HD12 LEU 49 HD12 LEU 49 50.906 10.169 23.112 400 HD13 LEU 49 HD13 LEU 49 49.435 9.727 22.245 401 HD21 LEU 49 HD21 LEU 49 50.955 8.800 19.095 402 HD22 LEU 49 HD22 LEU 49 51.063 10.543 19.335 403 HD23 LEU 49 HD23 LEU 49 49.594 9.678 19.791 404 H ASN 50 H ASN 50 54.417 10.856 18.756 405 HA ASN 50 HA ASN 50 57.229 10.652 19.553 406 HB2 ASN 50 HB2 ASN 50 55.836 12.134 17.317 407 HB3 ASN 50 HB3 ASN 50 57.567 12.236 17.639 408 HD21 ASN 50 HD21 ASN 50 58.878 10.587 16.800 409 HD22 ASN 50 HD22 ASN 50 58.277 9.203 16.027 410 H GLY 51 H GLY 51 54.519 12.959 19.471 411 HA2 GLY 51 HA2 GLY 51 55.978 14.661 21.363 412 HA3 GLY 51 HA3 GLY 51 55.594 15.376 19.809 413 H LEU 52 H LEU 52 54.768 16.503 22.114 414 HA LEU 52 HA LEU 52 51.830 16.140 22.033 415 HB2 LEU 52 HB2 LEU 52 53.477 16.989 24.433 416 HB3 LEU 52 HB3 LEU 52 51.729 16.767 24.387 417 HG LEU 52 HG LEU 52 53.757 14.574 23.859 418 HD11 LEU 52 HD11 LEU 52 52.075 15.217 26.300 419 HD12 LEU 52 HD12 LEU 52 53.836 15.233 26.201 420 HD13 LEU 52 HD13 LEU 52 52.959 13.707 26.072 421 HD21 LEU 52 HD21 LEU 52 50.737 14.602 24.144 422 HD22 LEU 52 HD22 LEU 52 51.709 13.129 24.139 423 HD23 LEU 52 HD23 LEU 52 51.661 14.159 22.708 424 H VAL 53 H VAL 53 50.617 18.048 21.911 425 HA VAL 53 HA VAL 53 52.187 20.549 21.595 426 HB VAL 53 HB VAL 53 49.682 19.739 20.093 427 HG11 VAL 53 HG11 VAL 53 49.910 22.174 20.420 428 HG12 VAL 53 HG12 VAL 53 50.172 21.739 18.730 429 HG13 VAL 53 HG13 VAL 53 51.548 22.111 19.770 430 HG21 VAL 53 HG21 VAL 53 51.018 19.259 18.222 431 HG22 VAL 53 HG22 VAL 53 51.953 18.554 19.536 432 HG23 VAL 53 HG23 VAL 53 52.407 20.122 18.873 433 H VAL 54 H VAL 54 51.633 22.160 22.935 434 HA VAL 54 HA VAL 54 48.806 22.345 23.802 435 HB VAL 54 HB VAL 54 49.627 23.471 25.874 436 HG11 VAL 54 HG11 VAL 54 50.596 21.234 26.836 437 HG12 VAL 54 HG12 VAL 54 50.187 20.595 25.242 438 HG13 VAL 54 HG13 VAL 54 48.930 21.298 26.262 439 HG21 VAL 54 HG21 VAL 54 51.888 23.453 26.496 440 HG22 VAL 54 HG22 VAL 54 51.956 23.867 24.782 441 HG23 VAL 54 HG23 VAL 54 52.307 22.219 25.306 442 H SER 55 H SER 55 48.000 24.456 24.108 443 HA SER 55 HA SER 55 49.636 26.637 22.960 444 HB2 SER 55 HB2 SER 55 47.862 25.679 21.383 445 HB3 SER 55 HB3 SER 55 46.676 26.382 22.477 446 HG SER 55 HG SER 55 47.102 28.072 21.299 447 H SER 56 H SER 56 48.522 25.724 25.814 448 HA SER 56 HA SER 56 48.068 28.468 26.670 449 HB2 SER 56 HB2 SER 56 45.925 28.080 27.698 450 HB3 SER 56 HB3 SER 56 45.808 27.611 26.005 451 HG SER 56 HG SER 56 45.021 26.086 27.618 452 H GLY 57 H GLY 57 48.428 28.806 28.860 453 HA2 GLY 57 HA2 GLY 57 50.160 27.087 30.233 454 HA3 GLY 57 HA3 GLY 57 49.234 28.387 30.979 455 H GLN 58 H GLN 58 46.631 27.431 30.400 456 HA GLN 58 HA GLN 58 46.152 25.762 32.601 457 HB2 GLN 58 HB2 GLN 58 44.455 26.268 30.146 458 HB3 GLN 58 HB3 GLN 58 43.883 25.467 31.609 459 HG2 GLN 58 HG2 GLN 58 44.379 27.458 32.936 460 HG3 GLN 58 HG3 GLN 58 45.049 28.262 31.519 461 HE21 GLN 58 HE21 GLN 58 42.847 29.380 32.969 462 HE22 GLN 58 HE22 GLN 58 41.475 29.334 31.971 463 H GLY 59 H GLY 59 46.516 24.996 29.150 464 HA2 GLY 59 HA2 GLY 59 45.817 22.276 29.285 465 HA3 GLY 59 HA3 GLY 59 46.858 22.999 28.063 466 H LEU 60 H LEU 60 48.988 23.878 29.561 467 HA LEU 60 HA LEU 60 50.571 21.580 29.760 468 HB2 LEU 60 HB2 LEU 60 51.426 23.904 29.476 469 HB3 LEU 60 HB3 LEU 60 51.031 24.220 31.166 470 HG LEU 60 HG LEU 60 52.493 22.223 31.761 471 HD11 LEU 60 HD11 LEU 60 52.766 20.993 29.798 472 HD12 LEU 60 HD12 LEU 60 54.278 21.898 29.850 473 HD13 LEU 60 HD13 LEU 60 52.964 22.434 28.802 474 HD21 LEU 60 HD21 LEU 60 53.139 24.735 31.767 475 HD22 LEU 60 HD22 LEU 60 54.044 24.361 30.300 476 HD23 LEU 60 HD23 LEU 60 54.447 23.554 31.815 477 H GLN 61 H GLN 61 48.942 23.446 32.301 478 HA GLN 61 HA GLN 61 49.938 21.979 34.499 479 HB2 GLN 61 HB2 GLN 61 47.353 23.521 34.178 480 HB3 GLN 61 HB3 GLN 61 47.950 22.892 35.714 481 HG2 GLN 61 HG2 GLN 61 49.438 24.841 33.929 482 HG3 GLN 61 HG3 GLN 61 48.571 25.270 35.401 483 HE21 GLN 61 HE21 GLN 61 51.648 24.897 34.413 484 HE22 GLN 61 HE22 GLN 61 52.347 24.233 35.810 485 H ASN 62 H ASN 62 46.989 21.567 32.562 486 HA ASN 62 HA ASN 62 45.889 19.413 33.984 487 HB2 ASN 62 HB2 ASN 62 45.737 20.023 31.024 488 HB3 ASN 62 HB3 ASN 62 44.692 18.892 31.884 489 HD21 ASN 62 HD21 ASN 62 44.408 21.805 30.597 490 HD22 ASN 62 HD22 ASN 62 43.463 22.600 31.760 491 H LEU 63 H LEU 63 48.306 19.484 31.400 492 HA LEU 63 HA LEU 63 48.502 16.747 30.864 493 HB2 LEU 63 HB2 LEU 63 49.642 18.601 29.602 494 HB3 LEU 63 HB3 LEU 63 50.793 18.724 30.929 495 HG LEU 63 HG LEU 63 51.134 16.167 30.570 496 HD11 LEU 63 HD11 LEU 63 50.610 15.313 28.405 497 HD12 LEU 63 HD12 LEU 63 50.186 16.911 27.797 498 HD13 LEU 63 HD13 LEU 63 49.138 16.107 28.964 499 HD21 LEU 63 HD21 LEU 63 52.089 18.067 28.408 500 HD22 LEU 63 HD22 LEU 63 52.909 16.617 28.990 501 HD23 LEU 63 HD23 LEU 63 52.759 18.027 30.040 502 H TYR 64 H TYR 64 50.150 18.743 33.278 503 HA TYR 64 HA TYR 64 51.850 16.767 34.325 504 HB2 TYR 64 HB2 TYR 64 51.899 19.269 34.730 505 HB3 TYR 64 HB3 TYR 64 50.596 19.028 35.877 506 HD1 TYR 64 HD1 TYR 64 51.007 18.018 38.049 507 HD2 TYR 64 HD2 TYR 64 54.158 18.401 35.150 508 HE1 TYR 64 HE1 TYR 64 52.687 17.504 39.800 509 HE2 TYR 64 HE2 TYR 64 55.824 17.894 36.891 510 HH TYR 64 HH TYR 64 55.715 18.146 39.659 511 H GLN 65 H GLN 65 48.593 17.781 35.322 512 HA GLN 65 HA GLN 65 48.413 16.121 37.594 513 HB2 GLN 65 HB2 GLN 65 46.238 17.233 35.809 514 HB3 GLN 65 HB3 GLN 65 45.953 16.468 37.373 515 HG2 GLN 65 HG2 GLN 65 47.328 18.154 38.486 516 HG3 GLN 65 HG3 GLN 65 47.718 18.893 36.936 517 HE21 GLN 65 HE21 GLN 65 46.433 20.381 39.017 518 HE22 GLN 65 HE22 GLN 65 44.858 20.759 38.508 519 H LEU 66 H LEU 66 47.382 15.581 34.238 520 HA LEU 66 HA LEU 66 46.249 13.025 34.704 521 HB2 LEU 66 HB2 LEU 66 47.346 14.242 32.158 522 HB3 LEU 66 HB3 LEU 66 46.418 12.745 32.234 523 HG LEU 66 HG LEU 66 45.408 15.422 33.243 524 HD11 LEU 66 HD11 LEU 66 43.849 15.037 31.163 525 HD12 LEU 66 HD12 LEU 66 45.170 14.019 30.592 526 HD13 LEU 66 HD13 LEU 66 45.454 15.728 30.921 527 HD21 LEU 66 HD21 LEU 66 44.265 13.659 34.371 528 HD22 LEU 66 HD22 LEU 66 44.195 12.669 32.914 529 HD23 LEU 66 HD23 LEU 66 43.199 14.120 33.044 530 H ALA 67 H ALA 67 49.521 14.057 33.879 531 HA ALA 67 HA ALA 67 50.639 11.561 33.277 532 HB1 ALA 67 HB1 ALA 67 52.786 12.620 34.023 533 HB2 ALA 67 HB2 ALA 67 51.852 14.004 34.588 534 HB3 ALA 67 HB3 ALA 67 51.875 13.598 32.873 535 H ALA 68 H ALA 68 50.171 13.201 36.396 536 HA ALA 68 HA ALA 68 50.063 12.358 38.527 537 HB1 ALA 68 HB1 ALA 68 49.764 9.555 37.578 538 HB2 ALA 68 HB2 ALA 68 48.575 10.710 36.974 539 HB3 ALA 68 HB3 ALA 68 48.774 10.473 38.711 540 H ALA 69 H ALA 69 51.087 9.391 38.999 541 HA ALA 69 HA ALA 69 53.596 10.185 39.982 542 HB1 ALA 69 HB1 ALA 69 53.957 7.725 40.297 543 HB2 ALA 69 HB2 ALA 69 52.440 7.448 39.443 544 HB3 ALA 69 HB3 ALA 69 52.443 8.329 40.971 545 H ASP 70 H ASP 70 52.715 9.294 36.755 546 HA ASP 70 HA ASP 70 55.375 8.230 36.135 547 HB2 ASP 70 HB2 ASP 70 52.919 8.539 34.404 548 HB3 ASP 70 HB3 ASP 70 54.408 7.716 33.942 549 H TRP 71 H TRP 71 54.412 11.312 36.484 550 HA TRP 71 HA TRP 71 54.878 12.670 34.156 551 HB2 TRP 71 HB2 TRP 71 54.182 13.852 36.073 552 HB3 TRP 71 HB3 TRP 71 55.590 13.373 36.989 553 HD1 TRP 71 HD1 TRP 71 57.325 15.175 37.228 554 HE1 TRP 71 HE1 TRP 71 57.976 17.306 35.937 555 HE3 TRP 71 HE3 TRP 71 54.123 14.836 33.261 556 HZ2 TRP 71 HZ2 TRP 71 57.267 18.675 33.536 557 HZ3 TRP 71 HZ3 TRP 71 54.140 16.562 31.486 558 HH2 TRP 71 HH2 TRP 71 55.708 18.479 31.616 559 HA PRO 72 HA PRO 72 59.780 12.542 35.078 560 HB2 PRO 72 HB2 PRO 72 59.660 9.628 35.769 561 HB3 PRO 72 HB3 PRO 72 60.832 10.861 36.276 562 HG2 PRO 72 HG2 PRO 72 58.898 10.022 37.900 563 HG3 PRO 72 HG3 PRO 72 59.458 11.703 37.898 564 HD2 PRO 72 HD2 PRO 72 56.900 10.592 36.915 565 HD3 PRO 72 HD3 PRO 72 57.290 12.244 37.437 566 H GLU 73 H GLU 73 57.808 9.792 33.914 567 HA GLU 73 HA GLU 73 59.668 9.170 31.791 568 HB2 GLU 73 HB2 GLU 73 56.846 8.223 32.344 569 HB3 GLU 73 HB3 GLU 73 57.898 7.573 31.085 570 HG2 GLU 73 HG2 GLU 73 59.575 6.988 32.823 571 HG3 GLU 73 HG3 GLU 73 58.474 7.573 34.062 572 H ILE 74 H ILE 74 56.433 10.620 32.008 573 HA ILE 74 HA ILE 74 56.009 10.964 29.254 574 HB ILE 74 HB ILE 74 54.913 12.524 31.609 575 HG12 ILE 74 HG12 ILE 74 53.696 10.252 30.016 576 HG13 ILE 74 HG13 ILE 74 54.574 10.009 31.522 577 HG21 ILE 74 HG21 ILE 74 53.764 12.266 28.812 578 HG22 ILE 74 HG22 ILE 74 54.643 13.685 29.384 579 HG23 ILE 74 HG23 ILE 74 53.121 13.227 30.145 580 HD11 ILE 74 HD11 ILE 74 52.391 12.045 31.557 581 HD12 ILE 74 HD12 ILE 74 52.901 10.912 32.806 582 HD13 ILE 74 HD13 ILE 74 51.915 10.351 31.459 583 H GLY 75 H GLY 75 57.611 13.035 31.609 584 HA2 GLY 75 HA2 GLY 75 57.718 15.417 30.125 585 HA3 GLY 75 HA3 GLY 75 58.811 14.974 31.426 586 H ARG 76 H ARG 76 59.418 12.477 29.604 587 HA ARG 76 HA ARG 76 61.850 13.468 28.541 588 HB2 ARG 76 HB2 ARG 76 60.364 10.887 28.006 589 HB3 ARG 76 HB3 ARG 76 62.040 11.209 27.550 590 HG2 ARG 76 HG2 ARG 76 62.625 11.585 29.905 591 HG3 ARG 76 HG3 ARG 76 60.954 11.294 30.380 592 HD2 ARG 76 HD2 ARG 76 62.181 9.261 30.752 593 HD3 ARG 76 HD3 ARG 76 61.146 9.005 29.349 594 HE ARG 76 HE ARG 76 63.791 9.940 28.669 595 HH11 ARG 76 HH11 ARG 76 61.896 7.067 29.363 596 HH12 ARG 76 HH12 ARG 76 62.975 6.024 28.498 597 HH21 ARG 76 HH21 ARG 76 65.144 8.549 27.570 598 HH22 ARG 76 HH22 ARG 76 64.791 6.854 27.496 599 H LEU 77 H LEU 77 58.638 13.166 27.173 600 HA LEU 77 HA LEU 77 59.512 12.987 24.453 601 HB2 LEU 77 HB2 LEU 77 56.803 13.570 25.661 602 HB3 LEU 77 HB3 LEU 77 57.091 13.338 23.935 603 HG LEU 77 HG LEU 77 58.052 11.280 25.905 604 HD11 LEU 77 HD11 LEU 77 55.533 11.887 26.180 605 HD12 LEU 77 HD12 LEU 77 55.967 10.191 25.968 606 HD13 LEU 77 HD13 LEU 77 55.337 11.116 24.605 607 HD21 LEU 77 HD21 LEU 77 58.821 11.047 23.623 608 HD22 LEU 77 HD22 LEU 77 57.190 11.284 22.997 609 HD23 LEU 77 HD23 LEU 77 57.586 9.819 23.896 610 HA PRO 78 HA PRO 78 60.027 17.335 23.526 611 HB2 PRO 78 HB2 PRO 78 58.912 17.453 20.976 612 HB3 PRO 78 HB3 PRO 78 60.567 16.945 21.338 613 HG2 PRO 78 HG2 PRO 78 58.163 15.296 20.793 614 HG3 PRO 78 HG3 PRO 78 59.848 15.041 20.300 615 HD2 PRO 78 HD2 PRO 78 58.750 13.647 22.341 616 HD3 PRO 78 HD3 PRO 78 60.460 14.128 22.350 617 H LEU 79 H LEU 79 58.785 18.872 24.452 618 HA LEU 79 HA LEU 79 55.870 18.861 23.951 619 HB2 LEU 79 HB2 LEU 79 56.689 18.951 26.312 620 HB3 LEU 79 HB3 LEU 79 57.451 20.499 25.946 621 HG LEU 79 HG LEU 79 55.159 21.304 25.173 622 HD11 LEU 79 HD11 LEU 79 54.445 18.647 26.420 623 HD12 LEU 79 HD12 LEU 79 53.959 19.283 24.848 624 HD13 LEU 79 HD13 LEU 79 53.279 19.967 26.325 625 HD21 LEU 79 HD21 LEU 79 56.200 21.850 27.394 626 HD22 LEU 79 HD22 LEU 79 55.369 20.453 28.078 627 HD23 LEU 79 HD23 LEU 79 54.437 21.809 27.442 628 H PHE 80 H PHE 80 55.094 20.207 22.433 629 HA PHE 80 HA PHE 80 56.700 22.458 21.472 630 HB2 PHE 80 HB2 PHE 80 53.950 21.486 20.672 631 HB3 PHE 80 HB3 PHE 80 54.807 22.804 19.911 632 HD1 PHE 80 HD1 PHE 80 54.067 19.352 19.812 633 HD2 PHE 80 HD2 PHE 80 57.160 22.180 18.867 634 HE1 PHE 80 HE1 PHE 80 55.017 17.761 18.168 635 HE2 PHE 80 HE2 PHE 80 58.117 20.579 17.224 636 HZ PHE 80 HZ PHE 80 57.027 18.380 16.864 637 H VAL 81 H VAL 81 56.485 24.439 22.384 638 HA VAL 81 HA VAL 81 53.951 25.077 23.786 639 HB VAL 81 HB VAL 81 55.218 26.665 25.125 640 HG11 VAL 81 HG11 VAL 81 56.321 25.076 26.496 641 HG12 VAL 81 HG12 VAL 81 56.758 24.067 25.116 642 HG13 VAL 81 HG13 VAL 81 55.079 24.151 25.652 643 HG21 VAL 81 HG21 VAL 81 56.999 27.514 23.928 644 HG22 VAL 81 HG22 VAL 81 57.379 25.966 23.180 645 HG23 VAL 81 HG23 VAL 81 57.864 26.281 24.843 646 HA PRO 82 HA PRO 82 53.267 28.110 20.717 647 HB2 PRO 82 HB2 PRO 82 51.597 29.851 21.918 648 HB3 PRO 82 HB3 PRO 82 51.115 28.177 21.573 649 HG2 PRO 82 HG2 PRO 82 51.999 29.397 24.136 650 HG3 PRO 82 HG3 PRO 82 50.723 28.204 23.834 651 HD2 PRO 82 HD2 PRO 82 53.249 27.562 24.754 652 HD3 PRO 82 HD3 PRO 82 52.183 26.433 23.894 653 H SER 83 H SER 83 54.568 29.280 23.775 654 HA SER 83 HA SER 83 55.791 31.553 22.382 655 HB2 SER 83 HB2 SER 83 54.920 33.202 23.843 656 HB3 SER 83 HB3 SER 83 53.532 32.216 23.394 657 HG SER 83 HG SER 83 54.936 32.296 25.774 658 HA PRO 84 HA PRO 84 59.236 30.889 25.084 659 HB2 PRO 84 HB2 PRO 84 59.234 33.703 26.025 660 HB3 PRO 84 HB3 PRO 84 60.497 32.797 25.172 661 HG2 PRO 84 HG2 PRO 84 59.074 34.700 23.965 662 HG3 PRO 84 HG3 PRO 84 59.617 33.247 23.107 663 HD2 PRO 84 HD2 PRO 84 56.884 33.897 24.152 664 HD3 PRO 84 HD3 PRO 84 57.348 33.048 22.660 665 H ARG 85 H ARG 85 56.772 33.015 26.555 666 HA ARG 85 HA ARG 85 57.428 32.589 29.241 667 HB2 ARG 85 HB2 ARG 85 55.825 34.304 28.407 668 HB3 ARG 85 HB3 ARG 85 54.657 33.018 28.101 669 HG2 ARG 85 HG2 ARG 85 54.788 32.378 30.510 670 HG3 ARG 85 HG3 ARG 85 55.853 33.756 30.787 671 HD2 ARG 85 HD2 ARG 85 53.028 33.914 29.700 672 HD3 ARG 85 HD3 ARG 85 53.511 34.309 31.347 673 HE ARG 85 HE ARG 85 55.116 35.911 29.875 674 HH11 ARG 85 HH11 ARG 85 51.647 35.388 29.764 675 HH12 ARG 85 HH12 ARG 85 51.323 36.991 29.194 676 HH21 ARG 85 HH21 ARG 85 54.637 37.961 29.140 677 HH22 ARG 85 HH22 ARG 85 52.996 38.429 28.845 678 H VAL 86 H VAL 86 55.086 30.824 27.190 679 HA VAL 86 HA VAL 86 54.294 28.964 29.149 680 HB VAL 86 HB VAL 86 54.450 28.572 26.150 681 HG11 VAL 86 HG11 VAL 86 52.433 27.038 26.767 682 HG12 VAL 86 HG12 VAL 86 53.114 27.066 28.393 683 HG13 VAL 86 HG13 VAL 86 54.065 26.430 27.052 684 HG21 VAL 86 HG21 VAL 86 53.134 30.549 26.751 685 HG22 VAL 86 HG22 VAL 86 52.238 29.614 27.947 686 HG23 VAL 86 HG23 VAL 86 52.055 29.255 26.230 687 H ALA 87 H ALA 87 56.991 28.922 26.844 688 HA ALA 87 HA ALA 87 57.893 26.311 27.255 689 HB1 ALA 87 HB1 ALA 87 59.865 28.539 26.939 690 HB2 ALA 87 HB2 ALA 87 58.705 28.240 25.643 691 HB3 ALA 87 HB3 ALA 87 59.816 26.964 26.145 692 H GLU 88 H GLU 88 58.587 29.280 29.057 693 HA GLU 88 HA GLU 88 60.520 28.218 30.807 694 HB2 GLU 88 HB2 GLU 88 58.531 30.457 31.248 695 HB3 GLU 88 HB3 GLU 88 59.910 30.118 32.294 696 HG2 GLU 88 HG2 GLU 88 61.425 30.405 30.344 697 HG3 GLU 88 HG3 GLU 88 60.037 30.826 29.350 698 H MET 89 H MET 89 56.981 28.389 31.060 699 HA MET 89 HA MET 89 56.715 27.357 33.657 700 HB2 MET 89 HB2 MET 89 54.893 27.043 31.258 701 HB3 MET 89 HB3 MET 89 54.439 26.664 32.920 702 HG2 MET 89 HG2 MET 89 55.003 29.032 33.546 703 HG3 MET 89 HG3 MET 89 55.250 29.374 31.834 704 HE1 MET 89 HE1 MET 89 52.991 28.536 34.683 705 HE2 MET 89 HE2 MET 89 52.561 27.104 33.751 706 HE3 MET 89 HE3 MET 89 51.360 28.363 34.021 707 H ALA 90 H ALA 90 56.888 25.706 30.527 708 HA ALA 90 HA ALA 90 56.476 23.085 31.460 709 HB1 ALA 90 HB1 ALA 90 58.204 23.881 29.110 710 HB2 ALA 90 HB2 ALA 90 56.442 23.836 29.057 711 HB3 ALA 90 HB3 ALA 90 57.353 22.355 29.346 712 H ARG 91 H ARG 91 59.444 24.985 31.083 713 HA ARG 91 HA ARG 91 61.282 22.959 31.720 714 HB2 ARG 91 HB2 ARG 91 61.881 25.183 30.768 715 HB3 ARG 91 HB3 ARG 91 61.529 25.914 32.334 716 HG2 ARG 91 HG2 ARG 91 63.231 24.442 33.383 717 HG3 ARG 91 HG3 ARG 91 63.617 23.783 31.793 718 HD2 ARG 91 HD2 ARG 91 64.176 26.090 31.019 719 HD3 ARG 91 HD3 ARG 91 63.907 26.671 32.660 720 HE ARG 91 HE ARG 91 65.753 24.531 32.720 721 HH11 ARG 91 HH11 ARG 91 65.590 27.885 31.692 722 HH12 ARG 91 HH12 ARG 91 67.289 28.139 31.915 723 HH21 ARG 91 HH21 ARG 91 67.933 24.920 32.989 724 HH22 ARG 91 HH22 ARG 91 68.597 26.481 32.641 725 H GLU 92 H GLU 92 59.569 25.283 33.795 726 HA GLU 92 HA GLU 92 60.879 24.662 36.198 727 HB2 GLU 92 HB2 GLU 92 59.382 26.627 35.826 728 HB3 GLU 92 HB3 GLU 92 57.999 25.533 35.892 729 HG2 GLU 92 HG2 GLU 92 58.727 24.803 38.158 730 HG3 GLU 92 HG3 GLU 92 60.034 25.976 38.093 731 H LEU 93 H LEU 93 58.066 23.162 34.654 732 HA LEU 93 HA LEU 93 57.406 21.419 36.781 733 HB2 LEU 93 HB2 LEU 93 57.014 20.971 33.817 734 HB3 LEU 93 HB3 LEU 93 56.227 20.069 35.104 735 HG LEU 93 HG LEU 93 55.915 23.041 34.573 736 HD11 LEU 93 HD11 LEU 93 53.521 22.253 34.137 737 HD12 LEU 93 HD12 LEU 93 54.169 20.612 34.122 738 HD13 LEU 93 HD13 LEU 93 54.713 21.786 32.922 739 HD21 LEU 93 HD21 LEU 93 54.854 21.201 36.727 740 HD22 LEU 93 HD22 LEU 93 53.992 22.672 36.271 741 HD23 LEU 93 HD23 LEU 93 55.629 22.774 36.918 742 H GLY 94 H GLY 94 59.998 21.264 34.451 743 HA2 GLY 94 HA2 GLY 94 61.838 19.756 34.954 744 HA3 GLY 94 HA3 GLY 94 60.659 18.548 35.430 745 H ALA 95 H ALA 95 59.757 20.260 32.548 746 HA ALA 95 HA ALA 95 59.805 17.955 30.934 747 HB1 ALA 95 HB1 ALA 95 58.457 19.973 30.425 748 HB2 ALA 95 HB2 ALA 95 59.447 19.473 29.054 749 HB3 ALA 95 HB3 ALA 95 59.941 20.847 30.043 750 H GLN 96 H GLN 96 61.401 16.921 29.957 751 HA GLN 96 HA GLN 96 64.086 17.723 30.564 752 HB2 GLN 96 HB2 GLN 96 63.021 15.411 28.922 753 HB3 GLN 96 HB3 GLN 96 64.698 15.603 29.445 754 HG2 GLN 96 HG2 GLN 96 63.954 15.642 31.804 755 HG3 GLN 96 HG3 GLN 96 62.289 15.418 31.278 756 HE21 GLN 96 HE21 GLN 96 62.305 13.374 32.559 757 HE22 GLN 96 HE22 GLN 96 63.020 11.984 31.911 758 H ARG 97 H ARG 97 62.107 17.556 27.633 759 HA ARG 97 HA ARG 97 64.094 19.292 26.303 760 HB2 ARG 97 HB2 ARG 97 64.391 16.998 25.475 761 HB3 ARG 97 HB3 ARG 97 62.690 16.944 25.017 762 HG2 ARG 97 HG2 ARG 97 62.966 18.558 23.324 763 HG3 ARG 97 HG3 ARG 97 64.508 19.115 23.981 764 HD2 ARG 97 HD2 ARG 97 64.992 17.754 22.042 765 HD3 ARG 97 HD3 ARG 97 65.467 16.853 23.473 766 HE ARG 97 HE ARG 97 63.666 15.382 23.124 767 HH11 ARG 97 HH11 ARG 97 63.589 17.959 20.730 768 HH12 ARG 97 HH12 ARG 97 62.527 17.077 19.687 769 HH21 ARG 97 HH21 ARG 97 62.300 14.315 21.741 770 HH22 ARG 97 HH22 ARG 97 61.796 15.052 20.258 771 H VAL 98 H VAL 98 63.185 21.159 25.926 772 HA VAL 98 HA VAL 98 60.280 21.270 25.355 773 HB VAL 98 HB VAL 98 62.024 23.387 26.642 774 HG11 VAL 98 HG11 VAL 98 60.072 24.228 25.326 775 HG12 VAL 98 HG12 VAL 98 59.918 24.545 27.055 776 HG13 VAL 98 HG13 VAL 98 59.013 23.224 26.317 777 HG21 VAL 98 HG21 VAL 98 61.614 21.351 28.064 778 HG22 VAL 98 HG22 VAL 98 59.882 21.627 27.882 779 HG23 VAL 98 HG23 VAL 98 60.881 22.815 28.717 780 H ILE 99 H ILE 99 59.611 22.249 23.554 781 HA ILE 99 HA ILE 99 61.654 23.425 21.767 782 HB ILE 99 HB ILE 99 59.204 21.770 21.102 783 HG12 ILE 99 HG12 ILE 99 62.132 21.132 20.660 784 HG13 ILE 99 HG13 ILE 99 61.236 20.592 22.078 785 HG21 ILE 99 HG21 ILE 99 59.346 23.087 19.221 786 HG22 ILE 99 HG22 ILE 99 60.522 21.851 18.776 787 HG23 ILE 99 HG23 ILE 99 61.069 23.396 19.427 788 HD11 ILE 99 HD11 ILE 99 59.645 19.394 20.651 789 HD12 ILE 99 HD12 ILE 99 61.288 18.857 20.300 790 HD13 ILE 99 HD13 ILE 99 60.474 19.976 19.208 791 H ASP 100 H ASP 100 61.316 25.496 21.233 792 HA ASP 100 HA ASP 100 58.680 26.705 21.713 793 HB2 ASP 100 HB2 ASP 100 60.731 27.805 22.613 794 HB3 ASP 100 HB3 ASP 100 61.295 28.028 20.959 795 H CYS 101 H CYS 101 57.281 26.813 20.078 796 HA CYS 101 HA CYS 101 58.044 26.242 17.393 797 HB2 CYS 101 HB2 CYS 101 55.716 26.627 16.839 798 HB3 CYS 101 HB3 CYS 101 55.827 25.683 18.322 799 HG CYS 101 HG CYS 101 54.569 28.423 18.095 800 H ARG 102 H ARG 102 57.961 29.217 19.175 801 HA ARG 102 HA ARG 102 57.281 31.076 17.220 802 HB2 ARG 102 HB2 ARG 102 59.365 31.308 19.399 803 HB3 ARG 102 HB3 ARG 102 58.745 32.662 18.462 804 HG2 ARG 102 HG2 ARG 102 56.986 30.818 20.099 805 HG3 ARG 102 HG3 ARG 102 57.630 32.343 20.705 806 HD2 ARG 102 HD2 ARG 102 56.541 33.493 18.743 807 HD3 ARG 102 HD3 ARG 102 55.768 31.962 18.344 808 HE ARG 102 HE ARG 102 55.359 32.921 21.063 809 HH11 ARG 102 HH11 ARG 102 54.058 32.724 17.808 810 HH12 ARG 102 HH12 ARG 102 52.437 33.035 18.330 811 HH21 ARG 102 HH21 ARG 102 53.250 33.316 21.674 812 HH22 ARG 102 HH22 ARG 102 51.986 33.366 20.492 813 H GLY 103 H GLY 103 60.363 29.412 17.712 814 HA2 GLY 103 HA2 GLY 103 61.620 30.943 15.568 815 HA3 GLY 103 HA3 GLY 103 62.392 29.715 16.565 816 H ALA 104 H ALA 104 60.351 27.691 16.140 817 HA ALA 104 HA ALA 104 61.222 26.810 13.490 818 HB1 ALA 104 HB1 ALA 104 59.890 24.690 14.371 819 HB2 ALA 104 HB2 ALA 104 60.123 25.483 15.928 820 HB3 ALA 104 HB3 ALA 104 61.519 25.047 14.944 821 H SER 105 H SER 105 59.974 27.154 11.764 822 HA SER 105 HA SER 105 57.211 27.874 11.920 823 HB2 SER 105 HB2 SER 105 58.840 26.902 9.556 824 HB3 SER 105 HB3 SER 105 57.246 27.643 9.466 825 HG SER 105 HG SER 105 58.633 29.283 9.259 826 H ALA 106 H ALA 106 55.490 26.546 10.751 827 HA ALA 106 HA ALA 106 55.015 24.174 12.048 828 HB1 ALA 106 HB1 ALA 106 54.015 25.156 9.382 829 HB2 ALA 106 HB2 ALA 106 53.197 25.183 10.944 830 HB3 ALA 106 HB3 ALA 106 53.446 23.651 10.110 831 HA PRO 107 HA PRO 107 56.777 21.512 8.399 832 HB2 PRO 107 HB2 PRO 107 58.789 22.825 6.961 833 HB3 PRO 107 HB3 PRO 107 57.150 22.486 6.378 834 HG2 PRO 107 HG2 PRO 107 58.278 24.986 7.495 835 HG3 PRO 107 HG3 PRO 107 57.070 24.756 6.218 836 HD2 PRO 107 HD2 PRO 107 56.365 25.548 8.681 837 HD3 PRO 107 HD3 PRO 107 55.319 24.485 7.722 838 H ALA 108 H ALA 108 58.734 24.044 9.912 839 HA ALA 108 HA ALA 108 61.086 22.548 10.320 840 HB1 ALA 108 HB1 ALA 108 60.084 24.597 12.283 841 HB2 ALA 108 HB2 ALA 108 60.660 25.072 10.687 842 HB3 ALA 108 HB3 ALA 108 61.744 24.246 11.805 843 H LEU 109 H LEU 109 58.141 22.871 12.274 844 HA LEU 109 HA LEU 109 58.962 21.395 14.512 845 HB2 LEU 109 HB2 LEU 109 56.190 21.516 13.296 846 HB3 LEU 109 HB3 LEU 109 56.581 21.047 14.949 847 HG LEU 109 HG LEU 109 57.180 23.760 13.735 848 HD11 LEU 109 HD11 LEU 109 55.025 22.857 15.667 849 HD12 LEU 109 HD12 LEU 109 54.773 23.443 14.023 850 HD13 LEU 109 HD13 LEU 109 55.375 24.538 15.268 851 HD21 LEU 109 HD21 LEU 109 57.518 24.318 16.206 852 HD22 LEU 109 HD22 LEU 109 58.763 23.303 15.476 853 HD23 LEU 109 HD23 LEU 109 57.523 22.580 16.502 854 H LEU 110 H LEU 110 57.499 20.354 11.453 855 HA LEU 110 HA LEU 110 57.187 17.627 12.014 856 HB2 LEU 110 HB2 LEU 110 56.335 18.770 9.974 857 HB3 LEU 110 HB3 LEU 110 57.988 18.876 9.371 858 HG LEU 110 HG LEU 110 58.104 16.336 9.616 859 HD11 LEU 110 HD11 LEU 110 55.128 16.779 9.972 860 HD12 LEU 110 HD12 LEU 110 56.224 15.995 11.109 861 HD13 LEU 110 HD13 LEU 110 55.848 15.220 9.569 862 HD21 LEU 110 HD21 LEU 110 56.097 17.564 7.698 863 HD22 LEU 110 HD22 LEU 110 56.821 15.967 7.510 864 HD23 LEU 110 HD23 LEU 110 57.834 17.408 7.432 865 H ALA 111 H ALA 111 59.963 19.386 10.698 866 HA ALA 111 HA ALA 111 61.673 17.176 10.353 867 HB1 ALA 111 HB1 ALA 111 62.557 19.971 11.090 868 HB2 ALA 111 HB2 ALA 111 62.022 19.525 9.469 869 HB3 ALA 111 HB3 ALA 111 63.452 18.764 10.165 870 H ALA 112 H ALA 112 61.092 19.257 13.158 871 HA ALA 112 HA ALA 112 63.187 18.316 14.775 872 HB1 ALA 112 HB1 ALA 112 61.723 20.336 15.210 873 HB2 ALA 112 HB2 ALA 112 62.018 19.313 16.615 874 HB3 ALA 112 HB3 ALA 112 60.474 19.220 15.768 875 H LEU 113 H LEU 113 59.864 17.143 14.372 876 HA LEU 113 HA LEU 113 59.860 15.219 16.416 877 HB2 LEU 113 HB2 LEU 113 58.381 15.587 13.840 878 HB3 LEU 113 HB3 LEU 113 58.233 14.040 14.670 879 HG LEU 113 HG LEU 113 57.895 16.574 16.244 880 HD11 LEU 113 HD11 LEU 113 55.882 15.337 14.355 881 HD12 LEU 113 HD12 LEU 113 56.395 17.022 14.438 882 HD13 LEU 113 HD13 LEU 113 55.399 16.339 15.723 883 HD21 LEU 113 HD21 LEU 113 57.975 14.284 17.290 884 HD22 LEU 113 HD22 LEU 113 56.525 13.874 16.379 885 HD23 LEU 113 HD23 LEU 113 56.467 15.148 17.599 886 H THR 114 H THR 114 60.680 14.894 12.977 887 HA THR 114 HA THR 114 61.225 12.114 13.145 888 HB THR 114 HB THR 114 62.172 12.358 10.896 889 HG1 THR 114 HG1 THR 114 62.384 14.414 10.090 890 HG21 THR 114 HG21 THR 114 59.834 14.233 10.942 891 HG22 THR 114 HG22 THR 114 59.606 12.589 11.534 892 HG23 THR 114 HG23 THR 114 60.147 12.863 9.877 893 H SER 115 H SER 115 63.342 14.955 13.393 894 HA SER 115 HA SER 115 65.781 13.500 13.365 895 HB2 SER 115 HB2 SER 115 66.798 15.549 14.150 896 HB3 SER 115 HB3 SER 115 65.574 15.953 12.952 897 HG SER 115 HG SER 115 65.434 17.185 14.876 898 H ALA 116 H ALA 116 63.613 14.522 15.970 899 HA ALA 116 HA ALA 116 65.275 13.864 18.139 900 HB1 ALA 116 HB1 ALA 116 62.312 14.171 17.775 901 HB2 ALA 116 HB2 ALA 116 63.426 15.157 18.722 902 HB3 ALA 116 HB3 ALA 116 62.951 13.560 19.300 903 H ALA 117 H ALA 117 62.910 11.929 16.328 904 HA ALA 117 HA ALA 117 63.000 9.609 17.895 905 HB1 ALA 117 HB1 ALA 117 62.780 9.543 14.893 906 HB2 ALA 117 HB2 ALA 117 61.475 10.177 15.894 907 HB3 ALA 117 HB3 ALA 117 61.993 8.502 16.079 908 H LEU 118 H LEU 118 65.123 10.707 15.283 909 HA LEU 118 HA LEU 118 66.668 8.354 15.043 910 HB2 LEU 118 HB2 LEU 118 67.487 11.232 14.575 911 HB3 LEU 118 HB3 LEU 118 68.365 9.813 14.007 912 HG LEU 118 HG LEU 118 65.495 10.452 13.271 913 HD11 LEU 118 HD11 LEU 118 66.565 10.890 10.996 914 HD12 LEU 118 HD12 LEU 118 68.117 10.924 11.833 915 HD13 LEU 118 HD13 LEU 118 66.874 12.112 12.229 916 HD21 LEU 118 HD21 LEU 118 65.781 8.123 13.035 917 HD22 LEU 118 HD22 LEU 118 67.462 8.291 12.528 918 HD23 LEU 118 HD23 LEU 118 66.160 8.737 11.426 919 H GLU 119 H GLU 119 66.939 11.144 17.204 920 HA GLU 119 HA GLU 119 69.465 10.529 18.300 921 HB2 GLU 119 HB2 GLU 119 67.108 11.964 19.545 922 HB3 GLU 119 HB3 GLU 119 68.748 11.960 20.193 923 HG2 GLU 119 HG2 GLU 119 69.565 12.935 18.054 924 HG3 GLU 119 HG3 GLU 119 67.905 13.011 17.479 925 H HIS 120 H HIS 120 70.089 9.327 20.066 926 HA HIS 120 HA HIS 120 68.035 7.847 21.551 927 HB2 HIS 120 HB2 HIS 120 70.340 6.584 20.071 928 HB3 HIS 120 HB3 HIS 120 69.418 5.763 21.314 929 HD1 HIS 120 HD1 HIS 120 69.429 6.574 17.736 930 HD2 HIS 120 HD2 HIS 120 66.601 5.345 20.541 931 HE1 HIS 120 HE1 HIS 120 67.432 5.741 16.422 932 H HIS 121 H HIS 121 71.577 8.130 21.177 933 HA HIS 121 HA HIS 121 72.272 7.461 23.791 934 HB2 HIS 121 HB2 HIS 121 73.658 9.367 21.903 935 HB3 HIS 121 HB3 HIS 121 74.375 8.680 23.350 936 HD1 HIS 121 HD1 HIS 121 74.427 5.910 23.310 937 HD2 HIS 121 HD2 HIS 121 74.107 7.868 19.643 938 HE1 HIS 121 HE1 HIS 121 75.109 4.233 21.541 939 H HIS 122 H HIS 122 71.431 10.622 22.418 940 HA HIS 122 HA HIS 122 72.144 12.248 24.567 941 HB2 HIS 122 HB2 HIS 122 69.826 12.550 22.656 942 HB3 HIS 122 HB3 HIS 122 70.432 13.815 23.708 943 HD1 HIS 122 HD1 HIS 122 73.109 14.388 23.258 944 HD2 HIS 122 HD2 HIS 122 71.001 12.541 20.173 945 HE1 HIS 122 HE1 HIS 122 74.445 14.781 21.143 946 H HIS 123 H HIS 123 69.205 10.356 24.042 947 HA HIS 123 HA HIS 123 67.584 11.425 26.034 948 HB2 HIS 123 HB2 HIS 123 67.787 8.604 24.994 949 HB3 HIS 123 HB3 HIS 123 66.523 9.148 26.078 950 HD1 HIS 123 HD1 HIS 123 67.761 9.500 22.545 951 HD2 HIS 123 HD2 HIS 123 64.509 10.721 24.851 952 HE1 HIS 123 HE1 HIS 123 66.055 10.447 20.933 953 H HIS 124 H HIS 124 70.173 9.033 26.293 954 HA HIS 124 HA HIS 124 69.723 8.914 29.220 955 HB2 HIS 124 HB2 HIS 124 71.111 6.954 27.390 956 HB3 HIS 124 HB3 HIS 124 70.979 6.793 29.132 957 HD1 HIS 124 HD1 HIS 124 68.332 6.768 29.994 958 HD2 HIS 124 HD2 HIS 124 69.079 5.701 26.034 959 HE1 HIS 124 HE1 HIS 124 66.292 5.500 29.198 960 H HIS 125 H HIS 125 71.330 9.466 30.592 961 HA HIS 125 HA HIS 125 73.641 10.831 29.473 962 HB2 HIS 125 HB2 HIS 125 72.407 11.808 31.360 963 HB3 HIS 125 HB3 HIS 125 72.784 10.402 32.338 964 HD1 HIS 125 HD1 HIS 125 75.114 10.282 33.392 965 HD2 HIS 125 HD2 HIS 125 74.628 13.572 30.879 966 HE1 HIS 125 HE1 HIS 125 77.122 11.776 33.773 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 58.517 6.749 9.614 2 H2 MET 1 HT2 MET 1 57.097 7.118 10.470 3 H3 MET 1 HT3 MET 1 58.266 8.321 10.200 4 HA MET 1 HA MET 1 57.845 8.308 7.855 5 HB2 MET 1 HB2 MET 1 55.896 6.096 8.563 6 HB3 MET 1 HB3 MET 1 56.007 6.863 6.979 7 HG2 MET 1 HG2 MET 1 58.432 6.190 6.900 8 HG3 MET 1 HG3 MET 1 58.171 5.272 8.382 9 HE1 MET 1 HE1 MET 1 55.059 4.251 7.833 10 HE2 MET 1 HE2 MET 1 56.420 3.559 8.714 11 HE3 MET 1 HE3 MET 1 55.611 2.611 7.468 12 H ASP 2 H ASP 2 55.201 7.580 10.142 13 HA ASP 2 HA ASP 2 54.093 10.275 9.612 14 HB2 ASP 2 HB2 ASP 2 52.679 7.623 9.833 15 HB3 ASP 2 HB3 ASP 2 51.840 9.150 10.101 16 HA PRO 3 HA PRO 3 55.223 9.703 14.103 17 HB2 PRO 3 HB2 PRO 3 55.426 12.447 14.570 18 HB3 PRO 3 HB3 PRO 3 56.773 11.380 14.131 19 HG2 PRO 3 HG2 PRO 3 55.172 13.200 12.418 20 HG3 PRO 3 HG3 PRO 3 56.907 12.829 12.372 21 HD2 PRO 3 HD2 PRO 3 55.211 11.753 10.584 22 HD3 PRO 3 HD3 PRO 3 56.595 10.829 11.212 23 H LYS 4 H LYS 4 54.000 10.201 16.007 24 HA LYS 4 HA LYS 4 51.250 11.151 15.437 25 HB2 LYS 4 HB2 LYS 4 52.258 9.247 17.566 26 HB3 LYS 4 HB3 LYS 4 50.584 9.764 17.374 27 HG2 LYS 4 HG2 LYS 4 50.597 8.824 15.063 28 HG3 LYS 4 HG3 LYS 4 52.228 8.219 15.350 29 HD2 LYS 4 HD2 LYS 4 51.359 6.935 17.309 30 HD3 LYS 4 HD3 LYS 4 49.729 7.456 16.884 31 HE2 LYS 4 HE2 LYS 4 49.904 6.362 14.708 32 HE3 LYS 4 HE3 LYS 4 51.576 5.911 15.042 33 HZ1 LYS 4 HZ1 LYS 4 50.544 4.022 15.704 34 HZ2 LYS 4 HZ2 LYS 4 49.097 4.808 16.121 35 HZ3 LYS 4 HZ3 LYS 4 50.435 4.876 17.165 36 H VAL 5 H VAL 5 50.384 12.789 16.675 37 HA VAL 5 HA VAL 5 51.835 13.581 19.118 38 HB VAL 5 HB VAL 5 51.403 15.984 18.541 39 HG11 VAL 5 HG11 VAL 5 53.275 15.920 16.692 40 HG12 VAL 5 HG12 VAL 5 53.304 14.196 17.064 41 HG13 VAL 5 HG13 VAL 5 53.634 15.377 18.332 42 HG21 VAL 5 HG21 VAL 5 51.183 16.447 16.065 43 HG22 VAL 5 HG22 VAL 5 49.731 15.780 16.812 44 HG23 VAL 5 HG23 VAL 5 50.781 14.744 15.844 45 H LEU 6 H LEU 6 50.669 14.350 20.762 46 HA LEU 6 HA LEU 6 47.731 14.128 20.525 47 HB2 LEU 6 HB2 LEU 6 48.886 12.667 22.193 48 HB3 LEU 6 HB3 LEU 6 49.426 14.120 23.033 49 HG LEU 6 HG LEU 6 46.928 14.782 23.094 50 HD11 LEU 6 HD11 LEU 6 45.554 12.544 23.201 51 HD12 LEU 6 HD12 LEU 6 46.834 11.930 22.156 52 HD13 LEU 6 HD13 LEU 6 45.857 13.302 21.638 53 HD21 LEU 6 HD21 LEU 6 46.580 13.482 25.140 54 HD22 LEU 6 HD22 LEU 6 48.260 14.012 25.054 55 HD23 LEU 6 HD23 LEU 6 47.839 12.346 24.657 56 H ILE 7 H ILE 7 46.431 15.837 20.986 57 HA ILE 7 HA ILE 7 47.780 18.422 21.443 58 HB ILE 7 HB ILE 7 44.985 17.925 20.396 59 HG12 ILE 7 HG12 ILE 7 47.405 18.754 18.781 60 HG13 ILE 7 HG13 ILE 7 46.903 17.068 18.915 61 HG21 ILE 7 HG21 ILE 7 45.333 20.307 19.570 62 HG22 ILE 7 HG22 ILE 7 46.765 20.365 20.597 63 HG23 ILE 7 HG23 ILE 7 45.172 20.131 21.317 64 HD11 ILE 7 HD11 ILE 7 45.997 18.555 16.936 65 HD12 ILE 7 HD12 ILE 7 44.857 19.127 18.150 66 HD13 ILE 7 HD13 ILE 7 44.928 17.412 17.749 67 H MET 8 H MET 8 47.425 19.569 23.203 68 HA MET 8 HA MET 8 45.376 18.778 25.139 69 HB2 MET 8 HB2 MET 8 47.606 20.831 25.222 70 HB3 MET 8 HB3 MET 8 46.513 20.504 26.559 71 HG2 MET 8 HG2 MET 8 48.356 18.477 25.256 72 HG3 MET 8 HG3 MET 8 48.657 19.273 26.796 73 HE1 MET 8 HE1 MET 8 45.895 17.920 29.118 74 HE2 MET 8 HE2 MET 8 46.064 19.458 28.285 75 HE3 MET 8 HE3 MET 8 47.467 18.713 29.034 76 H ARG 9 H ARG 9 43.535 19.953 25.478 77 HA ARG 9 HA ARG 9 42.709 21.812 23.495 78 HB2 ARG 9 HB2 ARG 9 41.162 20.343 24.820 79 HB3 ARG 9 HB3 ARG 9 41.458 21.387 26.212 80 HG2 ARG 9 HG2 ARG 9 40.657 23.336 24.911 81 HG3 ARG 9 HG3 ARG 9 40.307 22.267 23.552 82 HD2 ARG 9 HD2 ARG 9 38.770 20.964 25.027 83 HD3 ARG 9 HD3 ARG 9 39.055 22.137 26.308 84 HE ARG 9 HE ARG 9 38.209 23.432 23.912 85 HH11 ARG 9 HH11 ARG 9 36.955 21.556 26.601 86 HH12 ARG 9 HH12 ARG 9 35.369 22.239 26.468 87 HH21 ARG 9 HH21 ARG 9 36.147 24.276 23.790 88 HH22 ARG 9 HH22 ARG 9 34.919 23.759 24.896 89 H GLY 10 H GLY 10 42.419 24.021 23.584 90 HA2 GLY 10 HA2 GLY 10 43.151 25.557 25.919 91 HA3 GLY 10 HA3 GLY 10 44.333 25.640 24.617 92 H GLU 11 H GLU 11 43.287 27.980 25.235 93 HA GLU 11 HA GLU 11 40.858 28.811 24.208 94 HB2 GLU 11 HB2 GLU 11 42.460 30.217 25.505 95 HB3 GLU 11 HB3 GLU 11 43.443 30.371 24.048 96 HG2 GLU 11 HG2 GLU 11 41.472 31.321 22.858 97 HG3 GLU 11 HG3 GLU 11 40.558 31.245 24.358 98 H GLY 12 H GLY 12 43.811 28.047 22.449 99 HA2 GLY 12 HA2 GLY 12 43.184 29.267 19.988 100 HA3 GLY 12 HA3 GLY 12 44.254 27.884 20.197 101 H GLY 13 H GLY 13 43.138 27.481 18.015 102 HA2 GLY 13 HA2 GLY 13 40.513 26.162 18.370 103 HA3 GLY 13 HA3 GLY 13 41.113 26.819 16.852 104 H ARG 14 H ARG 14 40.762 24.048 18.715 105 HA ARG 14 HA ARG 14 42.972 22.465 18.106 106 HB2 ARG 14 HB2 ARG 14 40.063 21.668 18.369 107 HB3 ARG 14 HB3 ARG 14 41.414 20.537 18.359 108 HG2 ARG 14 HG2 ARG 14 42.370 21.717 20.337 109 HG3 ARG 14 HG3 ARG 14 40.937 22.744 20.381 110 HD2 ARG 14 HD2 ARG 14 40.996 19.729 20.683 111 HD3 ARG 14 HD3 ARG 14 40.678 20.897 21.961 112 HE ARG 14 HE ARG 14 38.799 19.918 20.053 113 HH11 ARG 14 HH11 ARG 14 39.630 22.836 21.819 114 HH12 ARG 14 HH12 ARG 14 38.013 23.453 21.754 115 HH21 ARG 14 HH21 ARG 14 36.738 20.765 20.002 116 HH22 ARG 14 HH22 ARG 14 36.398 22.295 20.739 117 H GLU 15 H GLU 15 40.134 23.242 16.141 118 HA GLU 15 HA GLU 15 40.345 21.126 14.310 119 HB2 GLU 15 HB2 GLU 15 39.204 23.901 13.937 120 HB3 GLU 15 HB3 GLU 15 38.956 22.551 12.827 121 HG2 GLU 15 HG2 GLU 15 37.976 21.233 14.696 122 HG3 GLU 15 HG3 GLU 15 38.155 22.628 15.750 123 H PHE 16 H PHE 16 41.531 24.505 13.946 124 HA PHE 16 HA PHE 16 42.582 23.945 11.354 125 HB2 PHE 16 HB2 PHE 16 43.440 26.155 11.343 126 HB3 PHE 16 HB3 PHE 16 41.863 26.199 12.098 127 HD1 PHE 16 HD1 PHE 16 45.496 26.499 12.632 128 HD2 PHE 16 HD2 PHE 16 41.611 26.797 14.437 129 HE1 PHE 16 HE1 PHE 16 46.489 27.686 14.571 130 HE2 PHE 16 HE2 PHE 16 42.604 27.979 16.377 131 HZ PHE 16 HZ PHE 16 45.042 28.424 16.445 132 H LEU 17 H LEU 17 44.112 24.243 14.570 133 HA LEU 17 HA LEU 17 46.775 24.056 13.693 134 HB2 LEU 17 HB2 LEU 17 46.071 24.659 16.007 135 HB3 LEU 17 HB3 LEU 17 45.630 22.974 16.279 136 HG LEU 17 HG LEU 17 48.011 22.361 15.639 137 HD11 LEU 17 HD11 LEU 17 48.208 25.372 15.717 138 HD12 LEU 17 HD12 LEU 17 48.786 24.268 14.470 139 HD13 LEU 17 HD13 LEU 17 49.613 24.353 16.025 140 HD21 LEU 17 HD21 LEU 17 47.366 22.365 17.971 141 HD22 LEU 17 HD22 LEU 17 47.483 24.124 18.050 142 HD23 LEU 17 HD23 LEU 17 48.941 23.150 17.851 143 H ALA 18 H ALA 18 44.473 21.500 14.610 144 HA ALA 18 HA ALA 18 46.259 19.345 14.317 145 HB1 ALA 18 HB1 ALA 18 43.965 18.109 13.819 146 HB2 ALA 18 HB2 ALA 18 43.284 19.640 14.370 147 HB3 ALA 18 HB3 ALA 18 44.336 18.709 15.435 148 H GLU 19 H GLU 19 44.063 20.919 12.008 149 HA GLU 19 HA GLU 19 44.340 19.108 9.894 150 HB2 GLU 19 HB2 GLU 19 42.691 20.991 10.004 151 HB3 GLU 19 HB3 GLU 19 44.012 22.106 9.654 152 HG2 GLU 19 HG2 GLU 19 44.481 20.841 7.561 153 HG3 GLU 19 HG3 GLU 19 43.095 19.815 7.896 154 H ARG 20 H ARG 20 46.322 21.898 10.816 155 HA ARG 20 HA ARG 20 47.990 21.969 8.562 156 HB2 ARG 20 HB2 ARG 20 47.907 23.703 10.355 157 HB3 ARG 20 HB3 ARG 20 48.789 22.600 11.412 158 HG2 ARG 20 HG2 ARG 20 50.665 22.546 9.842 159 HG3 ARG 20 HG3 ARG 20 49.781 23.580 8.719 160 HD2 ARG 20 HD2 ARG 20 51.290 24.995 9.951 161 HD3 ARG 20 HD3 ARG 20 49.663 25.319 10.542 162 HE ARG 20 HE ARG 20 50.601 23.363 12.213 163 HH11 ARG 20 HH11 ARG 20 51.802 26.533 11.300 164 HH12 ARG 20 HH12 ARG 20 52.606 26.773 12.815 165 HH21 ARG 20 HH21 ARG 20 51.657 23.730 14.142 166 HH22 ARG 20 HH22 ARG 20 52.524 25.206 14.404 167 H LEU 21 H LEU 21 48.520 20.286 11.677 168 HA LEU 21 HA LEU 21 50.972 19.107 10.961 169 HB2 LEU 21 HB2 LEU 21 48.859 18.263 12.943 170 HB3 LEU 21 HB3 LEU 21 50.395 17.414 12.762 171 HG LEU 21 HG LEU 21 50.219 20.393 13.266 172 HD11 LEU 21 HD11 LEU 21 51.040 19.539 15.626 173 HD12 LEU 21 HD12 LEU 21 50.196 18.063 15.159 174 HD13 LEU 21 HD13 LEU 21 49.316 19.587 15.256 175 HD21 LEU 21 HD21 LEU 21 52.607 19.709 14.199 176 HD22 LEU 21 HD22 LEU 21 52.370 19.962 12.470 177 HD23 LEU 21 HD23 LEU 21 52.396 18.326 13.127 178 H ARG 22 H ARG 22 47.645 18.004 10.456 179 HA ARG 22 HA ARG 22 48.260 15.425 9.491 180 HB2 ARG 22 HB2 ARG 22 45.924 17.250 8.901 181 HB3 ARG 22 HB3 ARG 22 46.019 15.568 8.374 182 HG2 ARG 22 HG2 ARG 22 46.262 14.844 10.720 183 HG3 ARG 22 HG3 ARG 22 46.155 16.521 11.250 184 HD2 ARG 22 HD2 ARG 22 43.961 15.557 11.492 185 HD3 ARG 22 HD3 ARG 22 43.906 16.651 10.112 186 HE ARG 22 HE ARG 22 44.556 13.974 9.324 187 HH11 ARG 22 HH11 ARG 22 41.845 16.024 10.204 188 HH12 ARG 22 HH12 ARG 22 40.706 15.070 9.313 189 HH21 ARG 22 HH21 ARG 22 43.045 12.786 8.194 190 HH22 ARG 22 HH22 ARG 22 41.378 13.261 8.189 191 H GLY 23 H GLY 23 47.962 18.536 7.815 192 HA2 GLY 23 HA2 GLY 23 48.178 17.598 5.183 193 HA3 GLY 23 HA3 GLY 23 48.650 19.204 5.723 194 H GLN 24 H GLN 24 50.668 18.194 7.605 195 HA GLN 24 HA GLN 24 52.806 17.770 5.682 196 HB2 GLN 24 HB2 GLN 24 52.846 18.206 8.667 197 HB3 GLN 24 HB3 GLN 24 54.290 18.031 7.668 198 HG2 GLN 24 HG2 GLN 24 53.622 19.963 6.318 199 HG3 GLN 24 HG3 GLN 24 52.138 20.125 7.255 200 HE21 GLN 24 HE21 GLN 24 54.114 22.223 7.075 201 HE22 GLN 24 HE22 GLN 24 54.777 22.443 8.621 202 H GLY 25 H GLY 25 50.801 15.546 6.924 203 HA2 GLY 25 HA2 GLY 25 51.084 13.240 6.605 204 HA3 GLY 25 HA3 GLY 25 52.823 13.476 6.587 205 H VAL 26 H VAL 26 51.253 14.993 9.254 206 HA VAL 26 HA VAL 26 52.233 12.859 11.029 207 HB VAL 26 HB VAL 26 51.396 15.693 11.704 208 HG11 VAL 26 HG11 VAL 26 52.961 13.670 13.332 209 HG12 VAL 26 HG12 VAL 26 51.238 13.983 13.545 210 HG13 VAL 26 HG13 VAL 26 52.412 15.261 13.860 211 HG21 VAL 26 HG21 VAL 26 53.952 15.881 12.072 212 HG22 VAL 26 HG22 VAL 26 53.368 15.905 10.408 213 HG23 VAL 26 HG23 VAL 26 54.067 14.430 11.076 214 H GLN 27 H GLN 27 50.894 11.744 12.366 215 HA GLN 27 HA GLN 27 48.037 11.893 11.872 216 HB2 GLN 27 HB2 GLN 27 49.615 10.169 13.798 217 HB3 GLN 27 HB3 GLN 27 47.916 9.957 13.381 218 HG2 GLN 27 HG2 GLN 27 48.593 9.655 10.990 219 HG3 GLN 27 HG3 GLN 27 50.280 9.718 11.499 220 HE21 GLN 27 HE21 GLN 27 51.186 7.833 12.480 221 HE22 GLN 27 HE22 GLN 27 50.309 6.396 12.697 222 H VAL 28 H VAL 28 46.560 12.884 13.171 223 HA VAL 28 HA VAL 28 47.608 14.171 15.636 224 HB VAL 28 HB VAL 28 45.579 15.300 13.693 225 HG11 VAL 28 HG11 VAL 28 46.254 17.405 15.098 226 HG12 VAL 28 HG12 VAL 28 46.777 16.222 16.294 227 HG13 VAL 28 HG13 VAL 28 45.093 16.265 15.771 228 HG21 VAL 28 HG21 VAL 28 48.439 16.178 14.196 229 HG22 VAL 28 HG22 VAL 28 47.323 16.830 12.996 230 HG23 VAL 28 HG23 VAL 28 47.946 15.189 12.820 231 H ASP 29 H ASP 29 46.565 13.761 17.443 232 HA ASP 29 HA ASP 29 43.654 13.301 17.344 233 HB2 ASP 29 HB2 ASP 29 44.828 11.107 17.600 234 HB3 ASP 29 HB3 ASP 29 45.561 11.715 19.083 235 H TYR 30 H TYR 30 42.550 14.441 18.898 236 HA TYR 30 HA TYR 30 44.191 15.890 20.901 237 HB2 TYR 30 HB2 TYR 30 42.646 17.701 20.782 238 HB3 TYR 30 HB3 TYR 30 43.161 17.308 19.156 239 HD1 TYR 30 HD1 TYR 30 40.376 17.698 21.407 240 HD2 TYR 30 HD2 TYR 30 41.597 15.956 17.673 241 HE1 TYR 30 HE1 TYR 30 37.998 17.484 20.729 242 HE2 TYR 30 HE2 TYR 30 39.219 15.743 16.995 243 HH TYR 30 HH TYR 30 37.077 15.827 17.827 244 H LEU 31 H LEU 31 43.548 15.906 23.017 245 HA LEU 31 HA LEU 31 41.449 13.936 23.707 246 HB2 LEU 31 HB2 LEU 31 43.788 13.283 24.221 247 HB3 LEU 31 HB3 LEU 31 43.916 14.690 25.273 248 HG LEU 31 HG LEU 31 41.710 13.662 26.357 249 HD11 LEU 31 HD11 LEU 31 42.111 11.098 26.376 250 HD12 LEU 31 HD12 LEU 31 42.997 11.377 24.876 251 HD13 LEU 31 HD13 LEU 31 41.288 11.801 24.982 252 HD21 LEU 31 HD21 LEU 31 43.062 12.752 28.068 253 HD22 LEU 31 HD22 LEU 31 44.091 13.973 27.321 254 HD23 LEU 31 HD23 LEU 31 44.323 12.269 26.933 255 HA PRO 32 HA PRO 32 39.554 17.687 25.682 256 HB2 PRO 32 HB2 PRO 32 37.910 15.480 26.856 257 HB3 PRO 32 HB3 PRO 32 37.391 17.040 26.187 258 HG2 PRO 32 HG2 PRO 32 37.100 14.768 24.829 259 HG3 PRO 32 HG3 PRO 32 37.482 16.299 24.024 260 HD2 PRO 32 HD2 PRO 32 39.233 13.949 24.488 261 HD3 PRO 32 HD3 PRO 32 39.318 15.189 23.222 262 H LEU 33 H LEU 33 40.074 18.555 27.636 263 HA LEU 33 HA LEU 33 42.003 17.205 29.217 264 HB2 LEU 33 HB2 LEU 33 40.531 19.754 29.898 265 HB3 LEU 33 HB3 LEU 33 42.064 19.208 30.572 266 HG LEU 33 HG LEU 33 41.555 19.887 27.664 267 HD11 LEU 33 HD11 LEU 33 43.597 21.485 29.051 268 HD12 LEU 33 HD12 LEU 33 42.002 21.669 29.776 269 HD13 LEU 33 HD13 LEU 33 42.232 21.996 28.065 270 HD21 LEU 33 HD21 LEU 33 43.225 18.159 27.792 271 HD22 LEU 33 HD22 LEU 33 44.045 18.978 29.122 272 HD23 LEU 33 HD23 LEU 33 44.069 19.682 27.505 273 H ASP 34 H ASP 34 38.618 16.987 29.379 274 HA ASP 34 HA ASP 34 38.383 16.779 32.237 275 HB2 ASP 34 HB2 ASP 34 36.496 16.017 30.007 276 HB3 ASP 34 HB3 ASP 34 36.089 15.968 31.720 277 H TYR 35 H TYR 35 39.641 14.588 29.946 278 HA TYR 35 HA TYR 35 38.473 12.178 30.863 279 HB2 TYR 35 HB2 TYR 35 40.823 12.922 29.209 280 HB3 TYR 35 HB3 TYR 35 40.813 11.305 29.888 281 HD1 TYR 35 HD1 TYR 35 38.679 9.878 29.497 282 HD2 TYR 35 HD2 TYR 35 39.654 13.396 27.235 283 HE1 TYR 35 HE1 TYR 35 37.154 9.137 27.689 284 HE2 TYR 35 HE2 TYR 35 38.127 12.653 25.426 285 HH TYR 35 HH TYR 35 35.988 10.993 25.418 286 HA PRO 36 HA PRO 36 40.482 11.746 34.730 287 HB2 PRO 36 HB2 PRO 36 40.494 9.060 35.145 288 HB3 PRO 36 HB3 PRO 36 39.009 10.034 35.179 289 HG2 PRO 36 HG2 PRO 36 40.086 8.309 33.006 290 HG3 PRO 36 HG3 PRO 36 38.416 8.514 33.564 291 HD2 PRO 36 HD2 PRO 36 39.394 9.754 31.329 292 HD3 PRO 36 HD3 PRO 36 38.081 10.424 32.319 293 H ALA 37 H ALA 37 42.417 11.374 35.767 294 HA ALA 37 HA ALA 37 44.774 11.319 34.307 295 HB1 ALA 37 HB1 ALA 37 44.276 11.906 36.822 296 HB2 ALA 37 HB2 ALA 37 45.878 11.348 36.341 297 HB3 ALA 37 HB3 ALA 37 44.742 10.227 37.092 298 H GLY 38 H GLY 38 46.436 9.745 34.099 299 HA2 GLY 38 HA2 GLY 38 47.268 7.528 34.092 300 HA3 GLY 38 HA3 GLY 38 45.641 6.939 34.412 301 H GLU 39 H GLU 39 44.308 8.459 32.329 302 HA GLU 39 HA GLU 39 44.645 6.620 30.201 303 HB2 GLU 39 HB2 GLU 39 43.216 9.281 30.280 304 HB3 GLU 39 HB3 GLU 39 43.115 8.134 28.944 305 HG2 GLU 39 HG2 GLU 39 42.308 6.401 30.550 306 HG3 GLU 39 HG3 GLU 39 42.305 7.618 31.819 307 H LEU 40 H LEU 40 45.917 9.867 30.760 308 HA LEU 40 HA LEU 40 46.817 10.427 28.158 309 HB2 LEU 40 HB2 LEU 40 46.744 12.069 30.023 310 HB3 LEU 40 HB3 LEU 40 48.103 11.236 30.778 311 HG LEU 40 HG LEU 40 49.373 11.622 28.590 312 HD11 LEU 40 HD11 LEU 40 46.976 13.425 28.173 313 HD12 LEU 40 HD12 LEU 40 47.539 12.134 27.111 314 HD13 LEU 40 HD13 LEU 40 48.492 13.607 27.290 315 HD21 LEU 40 HD21 LEU 40 50.171 13.688 29.364 316 HD22 LEU 40 HD22 LEU 40 49.436 13.000 30.812 317 HD23 LEU 40 HD23 LEU 40 48.571 14.220 29.878 318 H LEU 41 H LEU 41 48.409 8.763 30.867 319 HA LEU 41 HA LEU 41 50.920 8.446 29.600 320 HB2 LEU 41 HB2 LEU 41 50.496 8.189 32.054 321 HB3 LEU 41 HB3 LEU 41 49.695 6.656 31.712 322 HG LEU 41 HG LEU 41 51.871 6.001 30.486 323 HD11 LEU 41 HD11 LEU 41 52.913 8.174 30.334 324 HD12 LEU 41 HD12 LEU 41 53.882 7.193 31.435 325 HD13 LEU 41 HD13 LEU 41 52.781 8.413 32.076 326 HD21 LEU 41 HD21 LEU 41 51.486 4.839 32.475 327 HD22 LEU 41 HD22 LEU 41 51.499 6.306 33.452 328 HD23 LEU 41 HD23 LEU 41 53.013 5.647 32.830 329 H ALA 42 H ALA 42 48.095 6.285 29.821 330 HA ALA 42 HA ALA 42 49.287 4.073 28.552 331 HB1 ALA 42 HB1 ALA 42 47.014 3.258 28.210 332 HB2 ALA 42 HB2 ALA 42 46.365 4.870 28.516 333 HB3 ALA 42 HB3 ALA 42 47.152 3.974 29.817 334 H ARG 43 H ARG 43 47.457 6.799 27.221 335 HA ARG 43 HA ARG 43 47.307 5.899 24.552 336 HB2 ARG 43 HB2 ARG 43 46.042 7.824 25.588 337 HB3 ARG 43 HB3 ARG 43 47.531 8.762 25.516 338 HG2 ARG 43 HG2 ARG 43 46.372 9.362 23.545 339 HG3 ARG 43 HG3 ARG 43 47.556 8.172 23.000 340 HD2 ARG 43 HD2 ARG 43 45.843 6.403 23.136 341 HD3 ARG 43 HD3 ARG 43 44.661 7.588 23.681 342 HE ARG 43 HE ARG 43 45.948 8.176 21.137 343 HH11 ARG 43 HH11 ARG 43 43.161 6.742 22.722 344 HH12 ARG 43 HH12 ARG 43 42.166 6.870 21.309 345 HH21 ARG 43 HH21 ARG 43 44.618 8.314 19.350 346 HH22 ARG 43 HH22 ARG 43 42.982 7.749 19.426 347 H VAL 44 H VAL 44 49.757 7.861 26.224 348 HA VAL 44 HA VAL 44 51.290 8.459 23.940 349 HB VAL 44 HB VAL 44 52.170 8.206 26.829 350 HG11 VAL 44 HG11 VAL 44 53.474 9.587 24.462 351 HG12 VAL 44 HG12 VAL 44 54.104 8.183 25.325 352 HG13 VAL 44 HG13 VAL 44 54.002 9.746 26.138 353 HG21 VAL 44 HG21 VAL 44 51.612 10.770 25.360 354 HG22 VAL 44 HG22 VAL 44 51.598 10.460 27.094 355 HG23 VAL 44 HG23 VAL 44 50.281 9.872 26.083 356 H ARG 45 H ARG 45 51.535 5.790 26.278 357 HA ARG 45 HA ARG 45 53.885 4.669 25.140 358 HB2 ARG 45 HB2 ARG 45 53.089 4.259 27.466 359 HB3 ARG 45 HB3 ARG 45 51.783 3.275 26.807 360 HG2 ARG 45 HG2 ARG 45 53.401 1.756 25.779 361 HG3 ARG 45 HG3 ARG 45 54.736 2.762 26.345 362 HD2 ARG 45 HD2 ARG 45 54.515 0.933 27.895 363 HD3 ARG 45 HD3 ARG 45 53.917 2.381 28.699 364 HE ARG 45 HE ARG 45 51.771 1.479 28.660 365 HH11 ARG 45 HH11 ARG 45 53.871 -0.492 26.653 366 HH12 ARG 45 HH12 ARG 45 52.698 -1.756 26.493 367 HH21 ARG 45 HH21 ARG 45 50.301 -0.181 28.417 368 HH22 ARG 45 HH22 ARG 45 50.703 -1.581 27.480 369 H ALA 46 H ALA 46 50.437 3.820 24.776 370 HA ALA 46 HA ALA 46 50.914 1.479 23.262 371 HB1 ALA 46 HB1 ALA 46 48.809 1.883 24.464 372 HB2 ALA 46 HB2 ALA 46 48.514 1.565 22.756 373 HB3 ALA 46 HB3 ALA 46 48.438 3.216 23.371 374 H GLU 47 H GLU 47 50.010 4.799 22.255 375 HA GLU 47 HA GLU 47 50.288 4.093 19.467 376 HB2 GLU 47 HB2 GLU 47 49.881 6.752 20.827 377 HB3 GLU 47 HB3 GLU 47 49.938 6.532 19.078 378 HG2 GLU 47 HG2 GLU 47 48.079 4.882 19.262 379 HG3 GLU 47 HG3 GLU 47 47.982 5.221 20.984 380 H ARG 48 H ARG 48 52.585 4.879 21.848 381 HA ARG 48 HA ARG 48 54.796 5.499 21.751 382 HB2 ARG 48 HB2 ARG 48 54.475 4.456 18.925 383 HB3 ARG 48 HB3 ARG 48 56.020 4.786 19.709 384 HG2 ARG 48 HG2 ARG 48 55.414 3.172 21.509 385 HG3 ARG 48 HG3 ARG 48 53.934 2.788 20.630 386 HD2 ARG 48 HD2 ARG 48 55.365 2.166 18.652 387 HD3 ARG 48 HD3 ARG 48 56.779 2.363 19.684 388 HE ARG 48 HE ARG 48 54.859 0.188 19.753 389 HH11 ARG 48 HH11 ARG 48 57.369 1.865 21.544 390 HH12 ARG 48 HH12 ARG 48 57.672 0.512 22.581 391 HH21 ARG 48 HH21 ARG 48 55.293 -1.520 21.118 392 HH22 ARG 48 HH22 ARG 48 56.510 -1.381 22.343 393 H LEU 49 H LEU 49 53.408 7.665 21.752 394 HA LEU 49 HA LEU 49 53.316 9.243 19.407 395 HB2 LEU 49 HB2 LEU 49 53.330 10.116 22.306 396 HB3 LEU 49 HB3 LEU 49 52.915 11.146 20.939 397 HG LEU 49 HG LEU 49 51.460 8.587 21.669 398 HD11 LEU 49 HD11 LEU 49 51.191 10.463 23.320 399 HD12 LEU 49 HD12 LEU 49 49.691 10.046 22.491 400 HD13 LEU 49 HD13 LEU 49 50.601 11.476 22.004 401 HD21 LEU 49 HD21 LEU 49 49.748 9.813 20.088 402 HD22 LEU 49 HD22 LEU 49 51.086 8.910 19.374 403 HD23 LEU 49 HD23 LEU 49 51.182 10.666 19.510 404 H ASN 50 H ASN 50 54.562 10.888 18.671 405 HA ASN 50 HA ASN 50 57.389 10.782 19.352 406 HB2 ASN 50 HB2 ASN 50 55.827 12.233 17.211 407 HB3 ASN 50 HB3 ASN 50 57.568 12.401 17.427 408 HD21 ASN 50 HD21 ASN 50 58.882 10.808 16.487 409 HD22 ASN 50 HD22 ASN 50 58.287 9.393 15.768 410 H GLY 51 H GLY 51 54.655 13.052 19.475 411 HA2 GLY 51 HA2 GLY 51 56.190 14.740 21.311 412 HA3 GLY 51 HA3 GLY 51 55.735 15.478 19.786 413 H LEU 52 H LEU 52 54.990 16.575 22.126 414 HA LEU 52 HA LEU 52 52.054 16.187 22.141 415 HB2 LEU 52 HB2 LEU 52 53.775 17.042 24.486 416 HB3 LEU 52 HB3 LEU 52 52.027 16.818 24.498 417 HG LEU 52 HG LEU 52 54.040 14.629 23.898 418 HD11 LEU 52 HD11 LEU 52 53.595 13.800 26.116 419 HD12 LEU 52 HD12 LEU 52 52.332 15.004 26.372 420 HD13 LEU 52 HD13 LEU 52 54.020 15.504 26.279 421 HD21 LEU 52 HD21 LEU 52 51.914 14.203 22.815 422 HD22 LEU 52 HD22 LEU 52 51.031 14.655 24.275 423 HD23 LEU 52 HD23 LEU 52 52.000 13.182 24.250 424 H VAL 53 H VAL 53 50.826 18.071 22.045 425 HA VAL 53 HA VAL 53 52.343 20.603 21.717 426 HB VAL 53 HB VAL 53 49.824 19.754 20.259 427 HG11 VAL 53 HG11 VAL 53 51.617 22.181 19.944 428 HG12 VAL 53 HG12 VAL 53 49.984 22.185 20.609 429 HG13 VAL 53 HG13 VAL 53 50.243 21.786 18.911 430 HG21 VAL 53 HG21 VAL 53 52.129 18.645 19.645 431 HG22 VAL 53 HG22 VAL 53 52.497 20.227 18.962 432 HG23 VAL 53 HG23 VAL 53 51.120 19.308 18.362 433 H VAL 54 H VAL 54 51.748 22.214 23.063 434 HA VAL 54 HA VAL 54 48.963 22.219 24.082 435 HB VAL 54 HB VAL 54 49.872 23.481 26.075 436 HG11 VAL 54 HG11 VAL 54 49.158 21.332 26.557 437 HG12 VAL 54 HG12 VAL 54 50.846 21.258 27.061 438 HG13 VAL 54 HG13 VAL 54 50.359 20.579 25.507 439 HG21 VAL 54 HG21 VAL 54 52.179 23.362 26.628 440 HG22 VAL 54 HG22 VAL 54 52.147 23.871 24.939 441 HG23 VAL 54 HG23 VAL 54 52.508 22.193 25.349 442 H SER 55 H SER 55 47.827 23.972 23.660 443 HA SER 55 HA SER 55 49.156 26.216 22.340 444 HB2 SER 55 HB2 SER 55 46.979 26.877 21.606 445 HB3 SER 55 HB3 SER 55 47.095 25.133 21.397 446 HG SER 55 HG SER 55 45.189 25.920 22.483 447 H SER 56 H SER 56 48.175 25.493 25.531 448 HA SER 56 HA SER 56 48.395 28.303 26.267 449 HB2 SER 56 HB2 SER 56 46.261 28.442 27.379 450 HB3 SER 56 HB3 SER 56 45.980 27.959 25.710 451 HG SER 56 HG SER 56 45.009 26.356 26.645 452 H GLY 57 H GLY 57 48.614 28.646 28.547 453 HA2 GLY 57 HA2 GLY 57 50.219 26.794 29.888 454 HA3 GLY 57 HA3 GLY 57 49.376 28.134 30.659 455 H GLN 58 H GLN 58 46.710 27.311 30.032 456 HA GLN 58 HA GLN 58 46.144 25.679 32.245 457 HB2 GLN 58 HB2 GLN 58 44.447 26.168 29.784 458 HB3 GLN 58 HB3 GLN 58 43.867 25.535 31.323 459 HG2 GLN 58 HG2 GLN 58 45.123 28.260 30.888 460 HG3 GLN 58 HG3 GLN 58 43.411 27.946 31.149 461 HE21 GLN 58 HE21 GLN 58 45.892 29.203 32.790 462 HE22 GLN 58 HE22 GLN 58 45.580 28.616 34.353 463 H GLY 59 H GLY 59 46.370 24.877 28.784 464 HA2 GLY 59 HA2 GLY 59 45.632 22.175 28.970 465 HA3 GLY 59 HA3 GLY 59 46.649 22.864 27.708 466 H LEU 60 H LEU 60 48.816 23.739 29.210 467 HA LEU 60 HA LEU 60 50.389 21.423 29.329 468 HB2 LEU 60 HB2 LEU 60 51.268 23.735 29.060 469 HB3 LEU 60 HB3 LEU 60 50.890 24.048 30.753 470 HG LEU 60 HG LEU 60 52.348 22.063 31.346 471 HD11 LEU 60 HD11 LEU 60 52.462 20.833 29.323 472 HD12 LEU 60 HD12 LEU 60 54.061 21.560 29.483 473 HD13 LEU 60 HD13 LEU 60 52.877 22.264 28.380 474 HD21 LEU 60 HD21 LEU 60 53.374 24.131 31.742 475 HD22 LEU 60 HD22 LEU 60 53.373 24.569 30.034 476 HD23 LEU 60 HD23 LEU 60 54.513 23.364 30.635 477 H GLN 61 H GLN 61 48.830 23.269 31.929 478 HA GLN 61 HA GLN 61 49.847 21.765 34.085 479 HB2 GLN 61 HB2 GLN 61 47.263 23.319 33.831 480 HB3 GLN 61 HB3 GLN 61 47.889 22.672 35.347 481 HG2 GLN 61 HG2 GLN 61 49.341 24.639 33.552 482 HG3 GLN 61 HG3 GLN 61 48.510 25.050 35.052 483 HE21 GLN 61 HE21 GLN 61 51.564 24.677 33.980 484 HE22 GLN 61 HE22 GLN 61 52.295 23.998 35.352 485 H ASN 62 H ASN 62 46.889 21.372 32.157 486 HA ASN 62 HA ASN 62 45.792 19.208 33.562 487 HB2 ASN 62 HB2 ASN 62 45.644 19.971 30.645 488 HB3 ASN 62 HB3 ASN 62 44.723 18.636 31.335 489 HD21 ASN 62 HD21 ASN 62 44.564 21.943 30.679 490 HD22 ASN 62 HD22 ASN 62 43.312 22.347 31.749 491 H LEU 63 H LEU 63 48.214 19.292 30.979 492 HA LEU 63 HA LEU 63 48.406 16.545 30.466 493 HB2 LEU 63 HB2 LEU 63 49.529 18.384 29.156 494 HB3 LEU 63 HB3 LEU 63 50.705 18.515 30.463 495 HG LEU 63 HG LEU 63 51.006 15.945 30.126 496 HD11 LEU 63 HD11 LEU 63 50.514 15.145 27.892 497 HD12 LEU 63 HD12 LEU 63 49.947 16.741 27.400 498 HD13 LEU 63 HD13 LEU 63 49.026 15.802 28.575 499 HD21 LEU 63 HD21 LEU 63 52.705 17.681 29.605 500 HD22 LEU 63 HD22 LEU 63 51.965 17.911 28.019 501 HD23 LEU 63 HD23 LEU 63 52.728 16.372 28.423 502 H TYR 64 H TYR 64 50.080 18.572 32.836 503 HA TYR 64 HA TYR 64 51.808 16.607 33.868 504 HB2 TYR 64 HB2 TYR 64 51.925 19.091 34.234 505 HB3 TYR 64 HB3 TYR 64 50.598 18.928 35.366 506 HD1 TYR 64 HD1 TYR 64 50.932 17.904 37.559 507 HD2 TYR 64 HD2 TYR 64 54.164 18.255 34.744 508 HE1 TYR 64 HE1 TYR 64 52.562 17.408 39.361 509 HE2 TYR 64 HE2 TYR 64 55.780 17.766 36.538 510 HH TYR 64 HH TYR 64 55.197 17.978 39.637 511 H GLN 65 H GLN 65 48.578 17.647 34.934 512 HA GLN 65 HA GLN 65 48.464 16.040 37.247 513 HB2 GLN 65 HB2 GLN 65 46.198 17.048 35.514 514 HB3 GLN 65 HB3 GLN 65 46.030 16.415 37.150 515 HG2 GLN 65 HG2 GLN 65 47.639 18.857 36.352 516 HG3 GLN 65 HG3 GLN 65 46.083 18.874 37.174 517 HE21 GLN 65 HE21 GLN 65 49.178 19.455 37.888 518 HE22 GLN 65 HE22 GLN 65 49.277 18.815 39.457 519 H LEU 66 H LEU 66 47.336 15.430 33.934 520 HA LEU 66 HA LEU 66 46.220 12.882 34.479 521 HB2 LEU 66 HB2 LEU 66 47.260 14.037 31.881 522 HB3 LEU 66 HB3 LEU 66 46.308 12.559 32.018 523 HG LEU 66 HG LEU 66 45.374 15.276 32.992 524 HD11 LEU 66 HD11 LEU 66 45.353 15.528 30.664 525 HD12 LEU 66 HD12 LEU 66 43.746 14.867 30.969 526 HD13 LEU 66 HD13 LEU 66 45.036 13.817 30.383 527 HD21 LEU 66 HD21 LEU 66 44.090 12.545 32.747 528 HD22 LEU 66 HD22 LEU 66 43.140 14.023 32.910 529 HD23 LEU 66 HD23 LEU 66 44.246 13.542 34.194 530 H ALA 67 H ALA 67 49.473 13.896 33.554 531 HA ALA 67 HA ALA 67 50.588 11.389 32.997 532 HB1 ALA 67 HB1 ALA 67 51.830 13.838 34.271 533 HB2 ALA 67 HB2 ALA 67 51.799 13.449 32.553 534 HB3 ALA 67 HB3 ALA 67 52.741 12.457 33.665 535 H ALA 68 H ALA 68 50.167 13.099 36.082 536 HA ALA 68 HA ALA 68 50.082 12.309 38.235 537 HB1 ALA 68 HB1 ALA 68 48.789 10.435 38.485 538 HB2 ALA 68 HB2 ALA 68 49.752 9.488 37.352 539 HB3 ALA 68 HB3 ALA 68 48.560 10.639 36.748 540 H ALA 69 H ALA 69 51.095 9.342 38.755 541 HA ALA 69 HA ALA 69 53.614 10.149 39.700 542 HB1 ALA 69 HB1 ALA 69 52.549 8.324 40.772 543 HB2 ALA 69 HB2 ALA 69 53.971 7.647 39.978 544 HB3 ALA 69 HB3 ALA 69 52.374 7.437 39.258 545 H ASP 70 H ASP 70 52.703 9.169 36.503 546 HA ASP 70 HA ASP 70 55.373 8.132 35.887 547 HB2 ASP 70 HB2 ASP 70 52.870 8.318 34.207 548 HB3 ASP 70 HB3 ASP 70 54.382 7.565 33.700 549 H TRP 71 H TRP 71 54.369 11.196 36.165 550 HA TRP 71 HA TRP 71 54.830 12.525 33.817 551 HB2 TRP 71 HB2 TRP 71 54.134 13.738 35.710 552 HB3 TRP 71 HB3 TRP 71 55.519 13.245 36.649 553 HD1 TRP 71 HD1 TRP 71 57.264 15.029 36.923 554 HE1 TRP 71 HE1 TRP 71 57.959 17.155 35.648 555 HE3 TRP 71 HE3 TRP 71 54.141 14.722 32.888 556 HZ2 TRP 71 HZ2 TRP 71 57.318 18.529 33.233 557 HZ3 TRP 71 HZ3 TRP 71 54.215 16.448 31.115 558 HH2 TRP 71 HH2 TRP 71 55.800 18.352 31.280 559 HA PRO 72 HA PRO 72 59.731 12.398 34.749 560 HB2 PRO 72 HB2 PRO 72 59.588 9.491 35.469 561 HB3 PRO 72 HB3 PRO 72 60.779 10.715 35.952 562 HG2 PRO 72 HG2 PRO 72 58.852 9.931 37.605 563 HG3 PRO 72 HG3 PRO 72 59.417 11.611 37.560 564 HD2 PRO 72 HD2 PRO 72 56.851 10.480 36.608 565 HD3 PRO 72 HD3 PRO 72 57.241 12.141 37.102 566 H GLU 73 H GLU 73 57.752 9.646 33.588 567 HA GLU 73 HA GLU 73 59.617 9.024 31.469 568 HB2 GLU 73 HB2 GLU 73 56.793 8.075 32.004 569 HB3 GLU 73 HB3 GLU 73 57.845 7.439 30.739 570 HG2 GLU 73 HG2 GLU 73 59.520 6.834 32.477 571 HG3 GLU 73 HG3 GLU 73 58.407 7.393 33.716 572 H ILE 74 H ILE 74 56.375 10.473 31.670 573 HA ILE 74 HA ILE 74 55.993 10.860 28.915 574 HB ILE 74 HB ILE 74 54.877 12.408 31.268 575 HG12 ILE 74 HG12 ILE 74 53.672 10.150 29.645 576 HG13 ILE 74 HG13 ILE 74 54.515 9.901 31.171 577 HG21 ILE 74 HG21 ILE 74 53.773 12.170 28.452 578 HG22 ILE 74 HG22 ILE 74 54.650 13.581 29.045 579 HG23 ILE 74 HG23 ILE 74 53.111 13.130 29.776 580 HD11 ILE 74 HD11 ILE 74 51.849 10.281 31.021 581 HD12 ILE 74 HD12 ILE 74 52.359 11.958 31.187 582 HD13 ILE 74 HD13 ILE 74 52.805 10.775 32.415 583 H GLY 75 H GLY 75 57.573 12.879 31.326 584 HA2 GLY 75 HA2 GLY 75 57.764 15.276 29.878 585 HA3 GLY 75 HA3 GLY 75 58.824 14.790 31.192 586 H ARG 76 H ARG 76 59.416 12.304 29.364 587 HA ARG 76 HA ARG 76 61.884 13.240 28.351 588 HB2 ARG 76 HB2 ARG 76 60.324 10.714 27.769 589 HB3 ARG 76 HB3 ARG 76 62.009 10.988 27.312 590 HG2 ARG 76 HG2 ARG 76 62.554 11.408 29.701 591 HG3 ARG 76 HG3 ARG 76 60.896 11.003 30.132 592 HD2 ARG 76 HD2 ARG 76 62.911 9.173 28.807 593 HD3 ARG 76 HD3 ARG 76 62.345 9.077 30.472 594 HE ARG 76 HE ARG 76 60.194 8.946 28.566 595 HH11 ARG 76 HH11 ARG 76 62.641 7.007 30.168 596 HH12 ARG 76 HH12 ARG 76 61.752 5.534 29.959 597 HH21 ARG 76 HH21 ARG 76 59.097 7.022 28.326 598 HH22 ARG 76 HH22 ARG 76 59.771 5.544 28.929 599 H LEU 77 H LEU 77 58.688 13.037 26.915 600 HA LEU 77 HA LEU 77 59.643 12.976 24.209 601 HB2 LEU 77 HB2 LEU 77 56.899 13.456 25.382 602 HB3 LEU 77 HB3 LEU 77 57.224 13.359 23.651 603 HG LEU 77 HG LEU 77 58.155 11.167 25.490 604 HD11 LEU 77 HD11 LEU 77 55.671 11.632 25.816 605 HD12 LEU 77 HD12 LEU 77 56.068 10.010 25.252 606 HD13 LEU 77 HD13 LEU 77 55.457 11.213 24.117 607 HD21 LEU 77 HD21 LEU 77 57.685 9.878 23.317 608 HD22 LEU 77 HD22 LEU 77 59.029 11.019 23.275 609 HD23 LEU 77 HD23 LEU 77 57.480 11.456 22.554 610 HA PRO 78 HA PRO 78 60.137 17.377 23.552 611 HB2 PRO 78 HB2 PRO 78 59.140 17.628 20.967 612 HB3 PRO 78 HB3 PRO 78 60.785 17.100 21.375 613 HG2 PRO 78 HG2 PRO 78 58.402 15.475 20.658 614 HG3 PRO 78 HG3 PRO 78 60.101 15.264 20.191 615 HD2 PRO 78 HD2 PRO 78 58.995 13.736 22.116 616 HD3 PRO 78 HD3 PRO 78 60.686 14.274 22.217 617 H LEU 79 H LEU 79 58.889 18.982 24.331 618 HA LEU 79 HA LEU 79 55.975 18.912 23.813 619 HB2 LEU 79 HB2 LEU 79 56.739 18.941 26.191 620 HB3 LEU 79 HB3 LEU 79 57.493 20.507 25.889 621 HG LEU 79 HG LEU 79 55.205 21.308 25.090 622 HD11 LEU 79 HD11 LEU 79 53.978 19.345 24.693 623 HD12 LEU 79 HD12 LEU 79 53.346 19.888 26.248 624 HD13 LEU 79 HD13 LEU 79 54.532 18.585 26.185 625 HD21 LEU 79 HD21 LEU 79 55.068 20.421 27.960 626 HD22 LEU 79 HD22 LEU 79 54.627 21.977 27.255 627 HD23 LEU 79 HD23 LEU 79 56.326 21.550 27.457 628 H PHE 80 H PHE 80 55.163 20.329 22.400 629 HA PHE 80 HA PHE 80 56.766 22.591 21.461 630 HB2 PHE 80 HB2 PHE 80 54.022 21.609 20.655 631 HB3 PHE 80 HB3 PHE 80 54.861 22.949 19.912 632 HD1 PHE 80 HD1 PHE 80 54.188 19.475 19.787 633 HD2 PHE 80 HD2 PHE 80 57.200 22.388 18.841 634 HE1 PHE 80 HE1 PHE 80 55.172 17.916 18.130 635 HE2 PHE 80 HE2 PHE 80 58.187 20.825 17.184 636 HZ PHE 80 HZ PHE 80 57.160 18.597 16.819 637 H VAL 81 H VAL 81 56.525 24.582 22.336 638 HA VAL 81 HA VAL 81 53.956 25.247 23.656 639 HB VAL 81 HB VAL 81 55.196 26.802 25.070 640 HG11 VAL 81 HG11 VAL 81 56.461 25.111 26.376 641 HG12 VAL 81 HG12 VAL 81 56.368 24.007 25.003 642 HG13 VAL 81 HG13 VAL 81 54.895 24.499 25.841 643 HG21 VAL 81 HG21 VAL 81 57.075 27.590 23.996 644 HG22 VAL 81 HG22 VAL 81 57.434 26.041 23.239 645 HG23 VAL 81 HG23 VAL 81 57.841 26.307 24.931 646 HA PRO 82 HA PRO 82 53.589 28.253 20.488 647 HB2 PRO 82 HB2 PRO 82 51.730 29.942 21.484 648 HB3 PRO 82 HB3 PRO 82 51.348 28.266 21.042 649 HG2 PRO 82 HG2 PRO 82 51.763 29.464 23.718 650 HG3 PRO 82 HG3 PRO 82 50.664 28.170 23.213 651 HD2 PRO 82 HD2 PRO 82 53.121 27.790 24.490 652 HD3 PRO 82 HD3 PRO 82 52.221 26.547 23.600 653 H SER 83 H SER 83 54.659 29.353 23.621 654 HA SER 83 HA SER 83 55.762 31.791 22.415 655 HB2 SER 83 HB2 SER 83 54.720 33.277 23.929 656 HB3 SER 83 HB3 SER 83 53.428 32.203 23.411 657 HG SER 83 HG SER 83 53.277 31.941 25.493 658 HA PRO 84 HA PRO 84 59.254 31.045 25.056 659 HB2 PRO 84 HB2 PRO 84 59.595 33.597 26.208 660 HB3 PRO 84 HB3 PRO 84 60.330 33.014 24.705 661 HG2 PRO 84 HG2 PRO 84 57.940 34.713 25.102 662 HG3 PRO 84 HG3 PRO 84 59.152 34.739 23.808 663 HD2 PRO 84 HD2 PRO 84 56.698 33.708 23.393 664 HD3 PRO 84 HD3 PRO 84 58.140 33.002 22.628 665 H ARG 85 H ARG 85 56.687 33.049 26.530 666 HA ARG 85 HA ARG 85 57.325 32.564 29.216 667 HB2 ARG 85 HB2 ARG 85 54.637 33.088 27.930 668 HB3 ARG 85 HB3 ARG 85 54.944 33.143 29.667 669 HG2 ARG 85 HG2 ARG 85 56.701 34.873 29.255 670 HG3 ARG 85 HG3 ARG 85 56.249 34.879 27.551 671 HD2 ARG 85 HD2 ARG 85 54.438 35.569 29.880 672 HD3 ARG 85 HD3 ARG 85 55.115 36.706 28.719 673 HE ARG 85 HE ARG 85 53.660 34.677 27.365 674 HH11 ARG 85 HH11 ARG 85 53.124 37.536 29.330 675 HH12 ARG 85 HH12 ARG 85 51.572 37.849 28.630 676 HH21 ARG 85 HH21 ARG 85 51.654 35.131 26.500 677 HH22 ARG 85 HH22 ARG 85 50.750 36.503 27.047 678 H VAL 86 H VAL 86 55.057 30.811 27.079 679 HA VAL 86 HA VAL 86 54.259 28.875 28.953 680 HB VAL 86 HB VAL 86 54.526 28.588 25.948 681 HG11 VAL 86 HG11 VAL 86 54.220 26.406 26.888 682 HG12 VAL 86 HG12 VAL 86 52.627 26.926 26.339 683 HG13 VAL 86 HG13 VAL 86 53.037 27.000 28.052 684 HG21 VAL 86 HG21 VAL 86 52.078 29.303 27.579 685 HG22 VAL 86 HG22 VAL 86 52.259 29.361 25.826 686 HG23 VAL 86 HG23 VAL 86 53.118 30.519 26.840 687 H ALA 87 H ALA 87 57.026 28.973 26.741 688 HA ALA 87 HA ALA 87 57.982 26.369 27.097 689 HB1 ALA 87 HB1 ALA 87 59.898 28.660 26.890 690 HB2 ALA 87 HB2 ALA 87 58.781 28.361 25.558 691 HB3 ALA 87 HB3 ALA 87 59.916 27.105 26.057 692 H GLU 88 H GLU 88 58.573 29.311 28.983 693 HA GLU 88 HA GLU 88 60.487 28.246 30.749 694 HB2 GLU 88 HB2 GLU 88 58.447 30.438 31.197 695 HB3 GLU 88 HB3 GLU 88 59.814 30.103 32.261 696 HG2 GLU 88 HG2 GLU 88 61.358 30.461 30.345 697 HG3 GLU 88 HG3 GLU 88 59.979 30.877 29.336 698 H MET 89 H MET 89 56.942 28.352 30.937 699 HA MET 89 HA MET 89 56.647 27.279 33.514 700 HB2 MET 89 HB2 MET 89 54.868 26.974 31.082 701 HB3 MET 89 HB3 MET 89 54.394 26.572 32.733 702 HG2 MET 89 HG2 MET 89 54.920 28.938 33.392 703 HG3 MET 89 HG3 MET 89 55.191 29.303 31.689 704 HE1 MET 89 HE1 MET 89 52.896 28.410 34.492 705 HE2 MET 89 HE2 MET 89 52.498 26.983 33.539 706 HE3 MET 89 HE3 MET 89 51.278 28.226 33.803 707 H ALA 90 H ALA 90 56.904 25.676 30.364 708 HA ALA 90 HA ALA 90 56.512 23.035 31.252 709 HB1 ALA 90 HB1 ALA 90 57.701 22.392 29.155 710 HB2 ALA 90 HB2 ALA 90 58.113 24.089 28.910 711 HB3 ALA 90 HB3 ALA 90 56.424 23.580 28.892 712 H ARG 91 H ARG 91 59.456 24.987 30.973 713 HA ARG 91 HA ARG 91 61.309 22.971 31.610 714 HB2 ARG 91 HB2 ARG 91 61.897 25.220 30.703 715 HB3 ARG 91 HB3 ARG 91 61.511 25.919 32.275 716 HG2 ARG 91 HG2 ARG 91 63.233 24.544 33.342 717 HG3 ARG 91 HG3 ARG 91 63.593 23.765 31.801 718 HD2 ARG 91 HD2 ARG 91 65.241 25.491 32.133 719 HD3 ARG 91 HD3 ARG 91 64.144 26.041 30.870 720 HE ARG 91 HE ARG 91 63.020 27.100 33.076 721 HH11 ARG 91 HH11 ARG 91 66.354 27.140 31.975 722 HH12 ARG 91 HH12 ARG 91 66.692 28.659 32.737 723 HH21 ARG 91 HH21 ARG 91 63.514 29.052 34.035 724 HH22 ARG 91 HH22 ARG 91 65.103 29.726 33.888 725 H GLU 92 H GLU 92 59.524 25.231 33.695 726 HA GLU 92 HA GLU 92 60.787 24.558 36.114 727 HB2 GLU 92 HB2 GLU 92 57.971 25.535 35.602 728 HB3 GLU 92 HB3 GLU 92 58.727 25.457 37.194 729 HG2 GLU 92 HG2 GLU 92 60.550 26.932 36.371 730 HG3 GLU 92 HG3 GLU 92 59.726 27.060 34.825 731 H LEU 93 H LEU 93 58.028 23.076 34.461 732 HA LEU 93 HA LEU 93 57.333 21.259 36.511 733 HB2 LEU 93 HB2 LEU 93 57.052 20.875 33.525 734 HB3 LEU 93 HB3 LEU 93 56.223 19.948 34.769 735 HG LEU 93 HG LEU 93 55.912 22.924 34.266 736 HD11 LEU 93 HD11 LEU 93 54.186 20.495 33.743 737 HD12 LEU 93 HD12 LEU 93 54.774 21.671 32.566 738 HD13 LEU 93 HD13 LEU 93 53.541 22.137 33.739 739 HD21 LEU 93 HD21 LEU 93 55.568 22.604 36.608 740 HD22 LEU 93 HD22 LEU 93 54.760 21.057 36.353 741 HD23 LEU 93 HD23 LEU 93 53.952 22.559 35.902 742 H GLY 94 H GLY 94 60.018 21.228 34.288 743 HA2 GLY 94 HA2 GLY 94 61.868 19.744 34.739 744 HA3 GLY 94 HA3 GLY 94 60.716 18.514 35.226 745 H ALA 95 H ALA 95 59.791 20.217 32.339 746 HA ALA 95 HA ALA 95 59.781 17.880 30.776 747 HB1 ALA 95 HB1 ALA 95 58.457 19.952 30.299 748 HB2 ALA 95 HB2 ALA 95 59.320 19.326 28.894 749 HB3 ALA 95 HB3 ALA 95 59.947 20.728 29.763 750 H GLN 96 H GLN 96 61.352 16.816 29.771 751 HA GLN 96 HA GLN 96 64.055 17.583 30.291 752 HB2 GLN 96 HB2 GLN 96 62.917 15.305 28.655 753 HB3 GLN 96 HB3 GLN 96 64.611 15.472 29.126 754 HG2 GLN 96 HG2 GLN 96 63.937 15.506 31.509 755 HG3 GLN 96 HG3 GLN 96 62.257 15.292 31.029 756 HE21 GLN 96 HE21 GLN 96 62.345 13.241 32.333 757 HE22 GLN 96 HE22 GLN 96 63.022 11.853 31.642 758 H ARG 97 H ARG 97 61.982 17.625 27.430 759 HA ARG 97 HA ARG 97 64.051 19.243 26.073 760 HB2 ARG 97 HB2 ARG 97 63.989 16.943 25.118 761 HB3 ARG 97 HB3 ARG 97 62.283 17.175 24.744 762 HG2 ARG 97 HG2 ARG 97 63.414 17.696 22.728 763 HG3 ARG 97 HG3 ARG 97 63.030 19.264 23.434 764 HD2 ARG 97 HD2 ARG 97 65.314 19.360 24.410 765 HD3 ARG 97 HD3 ARG 97 65.688 17.822 23.639 766 HE ARG 97 HE ARG 97 65.803 18.915 21.578 767 HH11 ARG 97 HH11 ARG 97 64.612 21.142 24.018 768 HH12 ARG 97 HH12 ARG 97 64.808 22.525 22.994 769 HH21 ARG 97 HH21 ARG 97 66.032 20.732 20.306 770 HH22 ARG 97 HH22 ARG 97 65.602 22.295 20.918 771 H VAL 98 H VAL 98 63.253 21.228 25.874 772 HA VAL 98 HA VAL 98 60.345 21.563 25.411 773 HB VAL 98 HB VAL 98 62.328 23.546 26.562 774 HG11 VAL 98 HG11 VAL 98 60.359 24.890 27.055 775 HG12 VAL 98 HG12 VAL 98 59.299 23.634 26.417 776 HG13 VAL 98 HG13 VAL 98 60.372 24.517 25.331 777 HG21 VAL 98 HG21 VAL 98 61.825 21.568 28.037 778 HG22 VAL 98 HG22 VAL 98 60.116 21.992 27.949 779 HG23 VAL 98 HG23 VAL 98 61.261 23.098 28.705 780 H ILE 99 H ILE 99 59.686 22.453 23.571 781 HA ILE 99 HA ILE 99 61.712 23.587 21.735 782 HB ILE 99 HB ILE 99 59.262 21.916 21.109 783 HG12 ILE 99 HG12 ILE 99 62.186 21.264 20.668 784 HG13 ILE 99 HG13 ILE 99 61.296 20.751 22.100 785 HG21 ILE 99 HG21 ILE 99 59.413 23.219 19.213 786 HG22 ILE 99 HG22 ILE 99 60.564 21.957 18.781 787 HG23 ILE 99 HG23 ILE 99 61.142 23.500 19.407 788 HD11 ILE 99 HD11 ILE 99 59.630 19.635 20.595 789 HD12 ILE 99 HD12 ILE 99 61.248 18.944 20.481 790 HD13 ILE 99 HD13 ILE 99 60.664 20.034 19.225 791 H ASP 100 H ASP 100 61.364 25.658 21.219 792 HA ASP 100 HA ASP 100 58.718 26.837 21.694 793 HB2 ASP 100 HB2 ASP 100 60.751 27.981 22.566 794 HB3 ASP 100 HB3 ASP 100 61.317 28.180 20.909 795 H CYS 101 H CYS 101 57.310 26.910 20.052 796 HA CYS 101 HA CYS 101 58.322 26.721 17.302 797 HB2 CYS 101 HB2 CYS 101 56.044 26.130 16.688 798 HB3 CYS 101 HB3 CYS 101 56.600 25.117 18.020 799 HG CYS 101 HG CYS 101 55.195 27.469 19.206 800 H ARG 102 H ARG 102 57.520 29.237 19.337 801 HA ARG 102 HA ARG 102 55.788 30.857 17.871 802 HB2 ARG 102 HB2 ARG 102 56.580 31.333 20.179 803 HB3 ARG 102 HB3 ARG 102 58.162 31.749 19.526 804 HG2 ARG 102 HG2 ARG 102 57.047 33.826 19.774 805 HG3 ARG 102 HG3 ARG 102 56.921 33.462 18.057 806 HD2 ARG 102 HD2 ARG 102 54.653 32.516 18.448 807 HD3 ARG 102 HD3 ARG 102 54.786 32.959 20.148 808 HE ARG 102 HE ARG 102 54.446 35.187 19.562 809 HH11 ARG 102 HH11 ARG 102 54.923 33.294 16.644 810 HH12 ARG 102 HH12 ARG 102 54.432 34.588 15.604 811 HH21 ARG 102 HH21 ARG 102 53.825 36.817 18.172 812 HH22 ARG 102 HH22 ARG 102 53.818 36.558 16.460 813 H GLY 103 H GLY 103 59.293 30.424 17.570 814 HA2 GLY 103 HA2 GLY 103 59.349 32.276 15.290 815 HA3 GLY 103 HA3 GLY 103 60.753 31.606 16.114 816 H ALA 104 H ALA 104 59.810 28.859 16.077 817 HA ALA 104 HA ALA 104 60.792 28.090 13.509 818 HB1 ALA 104 HB1 ALA 104 60.835 26.833 15.825 819 HB2 ALA 104 HB2 ALA 104 60.754 25.922 14.317 820 HB3 ALA 104 HB3 ALA 104 59.292 26.188 15.267 821 H SER 105 H SER 105 59.732 27.359 11.724 822 HA SER 105 HA SER 105 56.892 27.963 11.534 823 HB2 SER 105 HB2 SER 105 57.168 27.679 9.170 824 HB3 SER 105 HB3 SER 105 58.573 28.566 9.749 825 HG SER 105 HG SER 105 59.398 26.933 8.611 826 H ALA 106 H ALA 106 55.421 26.393 10.466 827 HA ALA 106 HA ALA 106 55.095 24.062 11.870 828 HB1 ALA 106 HB1 ALA 106 53.299 24.921 10.557 829 HB2 ALA 106 HB2 ALA 106 53.657 23.303 9.962 830 HB3 ALA 106 HB3 ALA 106 54.208 24.717 9.061 831 HA PRO 107 HA PRO 107 57.187 21.373 8.452 832 HB2 PRO 107 HB2 PRO 107 59.220 22.681 7.043 833 HB3 PRO 107 HB3 PRO 107 57.618 22.265 6.410 834 HG2 PRO 107 HG2 PRO 107 58.634 24.848 7.423 835 HG3 PRO 107 HG3 PRO 107 57.455 24.512 6.144 836 HD2 PRO 107 HD2 PRO 107 56.721 25.410 8.574 837 HD3 PRO 107 HD3 PRO 107 55.686 24.331 7.622 838 H ALA 108 H ALA 108 59.013 24.016 9.944 839 HA ALA 108 HA ALA 108 61.392 22.614 10.498 840 HB1 ALA 108 HB1 ALA 108 60.266 24.628 12.420 841 HB2 ALA 108 HB2 ALA 108 60.788 25.140 10.814 842 HB3 ALA 108 HB3 ALA 108 61.938 24.384 11.915 843 H LEU 109 H LEU 109 58.383 22.948 12.351 844 HA LEU 109 HA LEU 109 59.153 21.497 14.627 845 HB2 LEU 109 HB2 LEU 109 56.398 21.611 13.375 846 HB3 LEU 109 HB3 LEU 109 56.770 21.195 15.046 847 HG LEU 109 HG LEU 109 57.370 23.867 13.740 848 HD11 LEU 109 HD11 LEU 109 55.369 23.323 15.932 849 HD12 LEU 109 HD12 LEU 109 54.916 23.207 14.231 850 HD13 LEU 109 HD13 LEU 109 55.496 24.738 14.887 851 HD21 LEU 109 HD21 LEU 109 58.969 23.396 15.502 852 HD22 LEU 109 HD22 LEU 109 57.686 22.845 16.578 853 HD23 LEU 109 HD23 LEU 109 57.791 24.547 16.132 854 H LEU 110 H LEU 110 57.772 20.415 11.545 855 HA LEU 110 HA LEU 110 57.382 17.708 12.156 856 HB2 LEU 110 HB2 LEU 110 56.623 18.813 10.063 857 HB3 LEU 110 HB3 LEU 110 58.297 18.880 9.516 858 HG LEU 110 HG LEU 110 58.380 16.359 9.794 859 HD11 LEU 110 HD11 LEU 110 56.534 15.988 11.281 860 HD12 LEU 110 HD12 LEU 110 56.083 15.272 9.734 861 HD13 LEU 110 HD13 LEU 110 55.420 16.836 10.208 862 HD21 LEU 110 HD21 LEU 110 56.243 17.285 7.862 863 HD22 LEU 110 HD22 LEU 110 57.381 15.954 7.656 864 HD23 LEU 110 HD23 LEU 110 57.956 17.621 7.617 865 H ALA 111 H ALA 111 60.256 19.395 10.954 866 HA ALA 111 HA ALA 111 61.929 17.153 10.663 867 HB1 ALA 111 HB1 ALA 111 62.933 19.852 11.547 868 HB2 ALA 111 HB2 ALA 111 62.324 19.591 9.914 869 HB3 ALA 111 HB3 ALA 111 63.718 18.677 10.491 870 H ALA 112 H ALA 112 61.323 19.260 13.447 871 HA ALA 112 HA ALA 112 63.242 18.175 15.185 872 HB1 ALA 112 HB1 ALA 112 60.530 19.304 15.918 873 HB2 ALA 112 HB2 ALA 112 61.977 20.267 15.619 874 HB3 ALA 112 HB3 ALA 112 61.926 19.154 16.986 875 H LEU 113 H LEU 113 59.912 17.182 14.507 876 HA LEU 113 HA LEU 113 59.610 15.272 16.541 877 HB2 LEU 113 HB2 LEU 113 58.393 15.747 13.855 878 HB3 LEU 113 HB3 LEU 113 58.108 14.177 14.601 879 HG LEU 113 HG LEU 113 57.715 16.660 16.245 880 HD11 LEU 113 HD11 LEU 113 55.522 15.506 14.514 881 HD12 LEU 113 HD12 LEU 113 56.510 16.864 13.975 882 HD13 LEU 113 HD13 LEU 113 55.513 17.018 15.421 883 HD21 LEU 113 HD21 LEU 113 56.447 13.909 16.117 884 HD22 LEU 113 HD22 LEU 113 55.932 15.180 17.229 885 HD23 LEU 113 HD23 LEU 113 57.556 14.500 17.353 886 H THR 114 H THR 114 60.745 14.882 13.200 887 HA THR 114 HA THR 114 61.129 12.086 13.383 888 HB THR 114 HB THR 114 62.411 12.317 11.300 889 HG1 THR 114 HG1 THR 114 62.801 14.390 10.578 890 HG21 THR 114 HG21 THR 114 60.162 14.293 11.093 891 HG22 THR 114 HG22 THR 114 59.805 12.630 11.556 892 HG23 THR 114 HG23 THR 114 60.583 12.968 10.009 893 H SER 115 H SER 115 63.361 14.795 13.914 894 HA SER 115 HA SER 115 65.709 13.273 14.210 895 HB2 SER 115 HB2 SER 115 65.011 15.887 15.566 896 HB3 SER 115 HB3 SER 115 66.627 15.229 15.334 897 HG SER 115 HG SER 115 66.437 16.327 13.549 898 H ALA 116 H ALA 116 63.323 14.340 16.628 899 HA ALA 116 HA ALA 116 64.666 13.364 18.897 900 HB1 ALA 116 HB1 ALA 116 62.492 13.528 20.018 901 HB2 ALA 116 HB2 ALA 116 61.687 13.674 18.456 902 HB3 ALA 116 HB3 ALA 116 62.778 14.945 19.008 903 H ALA 117 H ALA 117 62.375 11.807 16.691 904 HA ALA 117 HA ALA 117 61.935 9.443 18.119 905 HB1 ALA 117 HB1 ALA 117 62.181 9.379 15.138 906 HB2 ALA 117 HB2 ALA 117 60.909 10.355 15.873 907 HB3 ALA 117 HB3 ALA 117 60.978 8.619 16.180 908 H LEU 118 H LEU 118 64.633 10.391 16.048 909 HA LEU 118 HA LEU 118 65.833 7.887 15.676 910 HB2 LEU 118 HB2 LEU 118 67.194 10.568 16.049 911 HB3 LEU 118 HB3 LEU 118 67.929 9.129 15.342 912 HG LEU 118 HG LEU 118 65.464 10.511 14.245 913 HD11 LEU 118 HD11 LEU 118 67.499 11.899 14.018 914 HD12 LEU 118 HD12 LEU 118 66.962 11.291 12.452 915 HD13 LEU 118 HD13 LEU 118 68.335 10.541 13.266 916 HD21 LEU 118 HD21 LEU 118 67.114 8.127 13.429 917 HD22 LEU 118 HD22 LEU 118 66.241 9.059 12.214 918 HD23 LEU 118 HD23 LEU 118 65.359 8.275 13.524 919 H GLU 119 H GLU 119 66.084 10.167 18.380 920 HA GLU 119 HA GLU 119 68.064 8.769 19.835 921 HB2 GLU 119 HB2 GLU 119 65.837 10.568 20.823 922 HB3 GLU 119 HB3 GLU 119 67.224 10.050 21.782 923 HG2 GLU 119 HG2 GLU 119 67.380 11.616 19.191 924 HG3 GLU 119 HG3 GLU 119 67.571 12.301 20.800 925 H HIS 120 H HIS 120 67.942 7.154 21.347 926 HA HIS 120 HA HIS 120 65.296 5.862 21.718 927 HB2 HIS 120 HB2 HIS 120 68.035 4.603 21.544 928 HB3 HIS 120 HB3 HIS 120 66.567 3.745 21.966 929 HD1 HIS 120 HD1 HIS 120 68.415 5.232 19.081 930 HD2 HIS 120 HD2 HIS 120 64.800 3.269 19.758 931 HE1 HIS 120 HE1 HIS 120 67.510 4.594 16.804 932 H HIS 121 H HIS 121 64.607 5.703 23.751 933 HA HIS 121 HA HIS 121 65.950 6.838 25.934 934 HB2 HIS 121 HB2 HIS 121 63.771 4.746 25.949 935 HB3 HIS 121 HB3 HIS 121 64.244 5.738 27.316 936 HD1 HIS 121 HD1 HIS 121 64.009 8.467 26.757 937 HD2 HIS 121 HD2 HIS 121 61.687 5.819 24.526 938 HE1 HIS 121 HE1 HIS 121 62.135 9.835 25.747 939 H HIS 122 H HIS 122 65.724 3.475 24.849 940 HA HIS 122 HA HIS 122 66.972 2.245 27.037 941 HB2 HIS 122 HB2 HIS 122 65.774 1.050 25.237 942 HB3 HIS 122 HB3 HIS 122 67.079 1.435 24.131 943 HD1 HIS 122 HD1 HIS 122 69.220 0.032 24.287 944 HD2 HIS 122 HD2 HIS 122 66.412 -0.936 27.213 945 HE1 HIS 122 HE1 HIS 122 70.026 -2.108 25.371 946 H HIS 123 H HIS 123 68.336 3.790 24.167 947 HA HIS 123 HA HIS 123 70.956 2.857 24.328 948 HB2 HIS 123 HB2 HIS 123 70.014 4.173 22.450 949 HB3 HIS 123 HB3 HIS 123 70.043 5.602 23.465 950 HD1 HIS 123 HD1 HIS 123 72.546 2.968 22.279 951 HD2 HIS 123 HD2 HIS 123 72.349 7.053 23.086 952 HE1 HIS 123 HE1 HIS 123 74.814 3.925 21.689 953 H HIS 124 H HIS 124 69.414 5.563 26.018 954 HA HIS 124 HA HIS 124 71.930 6.018 27.513 955 HB2 HIS 124 HB2 HIS 124 69.533 7.815 27.124 956 HB3 HIS 124 HB3 HIS 124 70.942 8.206 28.091 957 HD1 HIS 124 HD1 HIS 124 73.300 8.105 26.600 958 HD2 HIS 124 HD2 HIS 124 69.727 8.719 24.540 959 HE1 HIS 124 HE1 HIS 124 73.930 9.082 24.352 960 H HIS 125 H HIS 125 71.986 5.776 29.682 961 HA HIS 125 HA HIS 125 69.596 4.645 30.958 962 HB2 HIS 125 HB2 HIS 125 72.441 4.800 31.961 963 HB3 HIS 125 HB3 HIS 125 71.123 3.929 32.721 964 HD1 HIS 125 HD1 HIS 125 70.040 1.981 31.053 965 HD2 HIS 125 HD2 HIS 125 73.938 3.234 30.274 966 HE1 HIS 125 HE1 HIS 125 71.098 0.181 29.623 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 58.956 8.317 10.142 2 H2 MET 1 HT2 MET 1 59.206 6.657 9.877 3 H3 MET 1 HT3 MET 1 57.859 7.183 10.768 4 HA MET 1 HA MET 1 58.339 7.747 7.893 5 HB2 MET 1 HB2 MET 1 56.465 5.819 9.295 6 HB3 MET 1 HB3 MET 1 56.401 6.200 7.574 7 HG2 MET 1 HG2 MET 1 58.757 5.422 7.345 8 HG3 MET 1 HG3 MET 1 58.740 4.955 9.046 9 HE1 MET 1 HE1 MET 1 59.573 3.014 6.933 10 HE2 MET 1 HE2 MET 1 58.658 1.543 7.251 11 HE3 MET 1 HE3 MET 1 59.335 2.459 8.595 12 H ASP 2 H ASP 2 55.687 7.449 10.263 13 HA ASP 2 HA ASP 2 54.729 10.128 9.442 14 HB2 ASP 2 HB2 ASP 2 53.158 7.584 9.846 15 HB3 ASP 2 HB3 ASP 2 52.406 9.179 9.833 16 HA PRO 3 HA PRO 3 55.662 9.922 14.016 17 HB2 PRO 3 HB2 PRO 3 55.620 12.742 14.217 18 HB3 PRO 3 HB3 PRO 3 57.055 11.712 14.090 19 HG2 PRO 3 HG2 PRO 3 55.657 13.264 12.001 20 HG3 PRO 3 HG3 PRO 3 57.380 12.878 12.174 21 HD2 PRO 3 HD2 PRO 3 55.843 11.630 10.353 22 HD3 PRO 3 HD3 PRO 3 57.155 10.776 11.198 23 H LYS 4 H LYS 4 54.314 10.369 15.810 24 HA LYS 4 HA LYS 4 51.561 11.227 15.118 25 HB2 LYS 4 HB2 LYS 4 52.469 9.257 17.233 26 HB3 LYS 4 HB3 LYS 4 50.800 9.687 16.866 27 HG2 LYS 4 HG2 LYS 4 50.987 8.737 14.641 28 HG3 LYS 4 HG3 LYS 4 52.711 8.448 14.865 29 HD2 LYS 4 HD2 LYS 4 51.570 6.359 15.245 30 HD3 LYS 4 HD3 LYS 4 52.118 6.956 16.812 31 HE2 LYS 4 HE2 LYS 4 49.967 7.578 17.477 32 HE3 LYS 4 HE3 LYS 4 49.376 7.682 15.820 33 HZ1 LYS 4 HZ1 LYS 4 50.031 5.217 17.336 34 HZ2 LYS 4 HZ2 LYS 4 49.674 5.240 15.675 35 HZ3 LYS 4 HZ3 LYS 4 48.499 5.716 16.804 36 H VAL 5 H VAL 5 50.623 12.808 16.382 37 HA VAL 5 HA VAL 5 51.965 13.514 18.919 38 HB VAL 5 HB VAL 5 51.537 15.931 18.409 39 HG11 VAL 5 HG11 VAL 5 53.487 15.947 16.643 40 HG12 VAL 5 HG12 VAL 5 53.513 14.211 16.951 41 HG13 VAL 5 HG13 VAL 5 53.780 15.345 18.276 42 HG21 VAL 5 HG21 VAL 5 51.039 14.786 15.645 43 HG22 VAL 5 HG22 VAL 5 51.422 16.481 15.941 44 HG23 VAL 5 HG23 VAL 5 49.944 15.783 16.603 45 H LEU 6 H LEU 6 50.727 14.279 20.529 46 HA LEU 6 HA LEU 6 47.812 13.993 20.179 47 HB2 LEU 6 HB2 LEU 6 48.946 12.575 21.901 48 HB3 LEU 6 HB3 LEU 6 49.397 14.051 22.755 49 HG LEU 6 HG LEU 6 46.856 14.611 22.656 50 HD11 LEU 6 HD11 LEU 6 46.668 11.601 22.468 51 HD12 LEU 6 HD12 LEU 6 46.472 12.638 21.055 52 HD13 LEU 6 HD13 LEU 6 45.357 12.779 22.414 53 HD21 LEU 6 HD21 LEU 6 47.736 12.282 24.384 54 HD22 LEU 6 HD22 LEU 6 46.518 13.498 24.771 55 HD23 LEU 6 HD23 LEU 6 48.221 13.951 24.683 56 H ILE 7 H ILE 7 46.459 15.669 20.537 57 HA ILE 7 HA ILE 7 47.702 18.291 21.080 58 HB ILE 7 HB ILE 7 44.982 17.691 19.887 59 HG12 ILE 7 HG12 ILE 7 47.440 18.666 18.419 60 HG13 ILE 7 HG13 ILE 7 47.020 16.954 18.506 61 HG21 ILE 7 HG21 ILE 7 45.029 20.053 19.241 62 HG22 ILE 7 HG22 ILE 7 46.629 20.240 19.959 63 HG23 ILE 7 HG23 ILE 7 45.234 19.912 20.987 64 HD11 ILE 7 HD11 ILE 7 46.140 18.246 16.469 65 HD12 ILE 7 HD12 ILE 7 45.027 19.029 17.589 66 HD13 ILE 7 HD13 ILE 7 44.969 17.280 17.369 67 H MET 8 H MET 8 47.209 19.410 22.853 68 HA MET 8 HA MET 8 45.080 18.441 24.628 69 HB2 MET 8 HB2 MET 8 47.332 20.419 25.048 70 HB3 MET 8 HB3 MET 8 46.140 19.984 26.275 71 HG2 MET 8 HG2 MET 8 46.822 17.584 26.002 72 HG3 MET 8 HG3 MET 8 48.110 18.119 24.922 73 HE1 MET 8 HE1 MET 8 46.373 18.265 28.089 74 HE2 MET 8 HE2 MET 8 46.875 19.908 28.480 75 HE3 MET 8 HE3 MET 8 47.561 18.548 29.367 76 H ARG 9 H ARG 9 43.251 19.585 25.002 77 HA ARG 9 HA ARG 9 42.392 21.526 23.173 78 HB2 ARG 9 HB2 ARG 9 40.899 20.091 24.573 79 HB3 ARG 9 HB3 ARG 9 41.316 21.088 25.967 80 HG2 ARG 9 HG2 ARG 9 40.478 23.091 24.768 81 HG3 ARG 9 HG3 ARG 9 40.007 22.065 23.413 82 HD2 ARG 9 HD2 ARG 9 38.546 20.761 24.967 83 HD3 ARG 9 HD3 ARG 9 38.944 21.905 26.245 84 HE ARG 9 HE ARG 9 37.165 22.353 23.999 85 HH11 ARG 9 HH11 ARG 9 39.096 23.902 26.487 86 HH12 ARG 9 HH12 ARG 9 38.188 25.375 26.414 87 HH21 ARG 9 HH21 ARG 9 36.033 24.273 23.950 88 HH22 ARG 9 HH22 ARG 9 36.475 25.581 24.995 89 H GLY 10 H GLY 10 42.266 23.736 23.220 90 HA2 GLY 10 HA2 GLY 10 43.154 25.242 25.538 91 HA3 GLY 10 HA3 GLY 10 44.245 25.303 24.155 92 H GLU 11 H GLU 11 43.327 27.663 24.865 93 HA GLU 11 HA GLU 11 40.830 28.537 24.000 94 HB2 GLU 11 HB2 GLU 11 42.478 29.884 25.305 95 HB3 GLU 11 HB3 GLU 11 43.413 30.099 23.825 96 HG2 GLU 11 HG2 GLU 11 41.408 31.102 22.742 97 HG3 GLU 11 HG3 GLU 11 40.542 30.962 24.266 98 H GLY 12 H GLY 12 43.754 27.911 22.124 99 HA2 GLY 12 HA2 GLY 12 43.003 29.246 19.751 100 HA3 GLY 12 HA3 GLY 12 44.149 27.912 19.854 101 H GLY 13 H GLY 13 42.855 27.736 17.647 102 HA2 GLY 13 HA2 GLY 13 40.270 26.434 17.906 103 HA3 GLY 13 HA3 GLY 13 41.119 26.787 16.404 104 H ARG 14 H ARG 14 40.156 24.359 18.453 105 HA ARG 14 HA ARG 14 42.240 22.500 18.495 106 HB2 ARG 14 HB2 ARG 14 39.256 22.031 18.224 107 HB3 ARG 14 HB3 ARG 14 40.436 20.814 18.712 108 HG2 ARG 14 HG2 ARG 14 41.009 22.049 20.695 109 HG3 ARG 14 HG3 ARG 14 40.055 23.439 20.173 110 HD2 ARG 14 HD2 ARG 14 38.712 22.299 21.777 111 HD3 ARG 14 HD3 ARG 14 38.030 21.900 20.207 112 HE ARG 14 HE ARG 14 39.959 19.955 21.010 113 HH11 ARG 14 HH11 ARG 14 36.634 20.943 21.559 114 HH12 ARG 14 HH12 ARG 14 36.158 19.383 22.140 115 HH21 ARG 14 HH21 ARG 14 39.284 17.964 21.794 116 HH22 ARG 14 HH22 ARG 14 37.636 17.722 22.265 117 H GLU 15 H GLU 15 39.699 23.011 16.060 118 HA GLU 15 HA GLU 15 40.488 20.918 14.331 119 HB2 GLU 15 HB2 GLU 15 38.277 22.087 14.273 120 HB3 GLU 15 HB3 GLU 15 39.086 23.489 13.570 121 HG2 GLU 15 HG2 GLU 15 39.902 22.046 11.712 122 HG3 GLU 15 HG3 GLU 15 38.999 20.698 12.391 123 H PHE 16 H PHE 16 41.410 24.343 14.496 124 HA PHE 16 HA PHE 16 42.660 24.554 12.006 125 HB2 PHE 16 HB2 PHE 16 42.159 26.450 13.521 126 HB3 PHE 16 HB3 PHE 16 43.456 25.922 14.577 127 HD1 PHE 16 HD1 PHE 16 42.641 27.347 11.261 128 HD2 PHE 16 HD2 PHE 16 45.765 26.360 14.040 129 HE1 PHE 16 HE1 PHE 16 44.252 28.677 9.924 130 HE2 PHE 16 HE2 PHE 16 47.375 27.690 12.702 131 HZ PHE 16 HZ PHE 16 46.618 28.849 10.644 132 H LEU 17 H LEU 17 44.193 23.853 15.166 133 HA LEU 17 HA LEU 17 46.791 23.533 14.136 134 HB2 LEU 17 HB2 LEU 17 45.459 22.516 16.641 135 HB3 LEU 17 HB3 LEU 17 47.146 22.157 16.273 136 HG LEU 17 HG LEU 17 47.307 24.755 15.866 137 HD11 LEU 17 HD11 LEU 17 45.008 25.366 16.077 138 HD12 LEU 17 HD12 LEU 17 45.784 25.910 17.565 139 HD13 LEU 17 HD13 LEU 17 44.824 24.430 17.562 140 HD21 LEU 17 HD21 LEU 17 48.488 23.486 17.641 141 HD22 LEU 17 HD22 LEU 17 47.047 23.578 18.653 142 HD23 LEU 17 HD23 LEU 17 47.925 25.049 18.231 143 H ALA 18 H ALA 18 44.210 21.143 14.689 144 HA ALA 18 HA ALA 18 45.733 18.860 14.147 145 HB1 ALA 18 HB1 ALA 18 43.451 17.878 13.464 146 HB2 ALA 18 HB2 ALA 18 42.792 19.462 13.874 147 HB3 ALA 18 HB3 ALA 18 43.606 18.498 15.107 148 H GLU 19 H GLU 19 43.851 20.890 11.893 149 HA GLU 19 HA GLU 19 44.219 19.269 9.625 150 HB2 GLU 19 HB2 GLU 19 43.827 22.263 9.844 151 HB3 GLU 19 HB3 GLU 19 43.764 21.363 8.329 152 HG2 GLU 19 HG2 GLU 19 41.938 19.966 9.261 153 HG3 GLU 19 HG3 GLU 19 41.971 20.921 10.733 154 H ARG 20 H ARG 20 46.187 21.911 10.955 155 HA ARG 20 HA ARG 20 48.016 22.135 8.849 156 HB2 ARG 20 HB2 ARG 20 47.849 23.680 10.804 157 HB3 ARG 20 HB3 ARG 20 48.632 22.448 11.794 158 HG2 ARG 20 HG2 ARG 20 50.609 22.498 10.362 159 HG3 ARG 20 HG3 ARG 20 49.827 23.655 9.282 160 HD2 ARG 20 HD2 ARG 20 51.272 24.912 10.740 161 HD3 ARG 20 HD3 ARG 20 49.615 25.219 11.249 162 HE ARG 20 HE ARG 20 50.946 23.037 12.634 163 HH11 ARG 20 HH11 ARG 20 50.195 26.466 12.687 164 HH12 ARG 20 HH12 ARG 20 50.445 26.596 14.396 165 HH21 ARG 20 HH21 ARG 20 51.255 23.266 14.831 166 HH22 ARG 20 HH22 ARG 20 51.038 24.806 15.593 167 H LEU 21 H LEU 21 48.240 20.082 11.784 168 HA LEU 21 HA LEU 21 50.775 19.027 11.102 169 HB2 LEU 21 HB2 LEU 21 48.622 18.046 12.971 170 HB3 LEU 21 HB3 LEU 21 50.166 17.216 12.779 171 HG LEU 21 HG LEU 21 49.958 20.159 13.456 172 HD11 LEU 21 HD11 LEU 21 49.897 17.719 15.203 173 HD12 LEU 21 HD12 LEU 21 49.016 19.237 15.373 174 HD13 LEU 21 HD13 LEU 21 50.731 19.163 15.781 175 HD21 LEU 21 HD21 LEU 21 52.155 18.120 13.241 176 HD22 LEU 21 HD22 LEU 21 52.329 19.430 14.408 177 HD23 LEU 21 HD23 LEU 21 52.131 19.797 12.694 178 H ARG 22 H ARG 22 47.481 17.874 10.403 179 HA ARG 22 HA ARG 22 48.283 15.380 9.330 180 HB2 ARG 22 HB2 ARG 22 45.822 17.032 8.741 181 HB3 ARG 22 HB3 ARG 22 46.067 15.371 8.199 182 HG2 ARG 22 HG2 ARG 22 46.407 14.718 10.611 183 HG3 ARG 22 HG3 ARG 22 45.926 16.353 11.060 184 HD2 ARG 22 HD2 ARG 22 44.246 14.340 9.545 185 HD3 ARG 22 HD3 ARG 22 43.993 14.877 11.201 186 HE ARG 22 HE ARG 22 43.959 17.162 9.613 187 HH11 ARG 22 HH11 ARG 22 42.042 14.236 9.918 188 HH12 ARG 22 HH12 ARG 22 40.606 14.994 9.315 189 HH21 ARG 22 HH21 ARG 22 42.081 18.078 8.833 190 HH22 ARG 22 HH22 ARG 22 40.628 17.142 8.711 191 H GLY 23 H GLY 23 47.869 18.567 7.825 192 HA2 GLY 23 HA2 GLY 23 48.093 17.766 5.148 193 HA3 GLY 23 HA3 GLY 23 48.502 19.361 5.765 194 H GLN 24 H GLN 24 50.588 18.356 7.579 195 HA GLN 24 HA GLN 24 52.707 18.077 5.608 196 HB2 GLN 24 HB2 GLN 24 52.782 18.418 8.601 197 HB3 GLN 24 HB3 GLN 24 54.221 18.286 7.585 198 HG2 GLN 24 HG2 GLN 24 53.503 20.240 6.284 199 HG3 GLN 24 HG3 GLN 24 52.042 20.367 7.260 200 HE21 GLN 24 HE21 GLN 24 54.065 22.453 7.059 201 HE22 GLN 24 HE22 GLN 24 54.744 22.648 8.601 202 H GLY 25 H GLY 25 50.798 15.744 6.762 203 HA2 GLY 25 HA2 GLY 25 51.142 13.461 6.377 204 HA3 GLY 25 HA3 GLY 25 52.872 13.753 6.310 205 H VAL 26 H VAL 26 51.324 15.120 9.077 206 HA VAL 26 HA VAL 26 52.419 12.956 10.747 207 HB VAL 26 HB VAL 26 51.493 15.729 11.550 208 HG11 VAL 26 HG11 VAL 26 51.436 13.925 13.316 209 HG12 VAL 26 HG12 VAL 26 52.545 15.249 13.673 210 HG13 VAL 26 HG13 VAL 26 53.170 13.714 13.071 211 HG21 VAL 26 HG21 VAL 26 54.164 14.597 10.748 212 HG22 VAL 26 HG22 VAL 26 54.084 15.922 11.908 213 HG23 VAL 26 HG23 VAL 26 53.427 16.130 10.284 214 H GLN 27 H GLN 27 51.142 11.769 12.100 215 HA GLN 27 HA GLN 27 48.292 11.767 11.575 216 HB2 GLN 27 HB2 GLN 27 49.921 10.153 13.548 217 HB3 GLN 27 HB3 GLN 27 48.248 9.839 13.094 218 HG2 GLN 27 HG2 GLN 27 49.002 9.560 10.721 219 HG3 GLN 27 HG3 GLN 27 50.668 9.716 11.275 220 HE21 GLN 27 HE21 GLN 27 51.644 7.889 12.301 221 HE22 GLN 27 HE22 GLN 27 50.838 6.408 12.503 222 H VAL 28 H VAL 28 46.712 12.574 12.883 223 HA VAL 28 HA VAL 28 47.628 14.037 15.300 224 HB VAL 28 HB VAL 28 45.434 14.823 13.366 225 HG11 VAL 28 HG11 VAL 28 45.307 16.866 14.631 226 HG12 VAL 28 HG12 VAL 28 46.701 16.414 15.611 227 HG13 VAL 28 HG13 VAL 28 45.178 15.541 15.784 228 HG21 VAL 28 HG21 VAL 28 47.598 15.112 12.303 229 HG22 VAL 28 HG22 VAL 28 48.258 15.860 13.757 230 HG23 VAL 28 HG23 VAL 28 47.021 16.696 12.819 231 H ASP 29 H ASP 29 46.724 13.462 17.137 232 HA ASP 29 HA ASP 29 43.874 12.677 17.124 233 HB2 ASP 29 HB2 ASP 29 45.321 10.668 17.472 234 HB3 ASP 29 HB3 ASP 29 46.000 11.451 18.899 235 H TYR 30 H TYR 30 42.700 14.007 18.421 236 HA TYR 30 HA TYR 30 44.188 15.634 20.405 237 HB2 TYR 30 HB2 TYR 30 42.658 17.405 20.024 238 HB3 TYR 30 HB3 TYR 30 43.230 16.853 18.466 239 HD1 TYR 30 HD1 TYR 30 40.393 17.665 20.430 240 HD2 TYR 30 HD2 TYR 30 41.693 15.144 17.207 241 HE1 TYR 30 HE1 TYR 30 38.037 17.382 19.703 242 HE2 TYR 30 HE2 TYR 30 39.339 14.863 16.477 243 HH TYR 30 HH TYR 30 37.092 15.077 17.458 244 H LEU 31 H LEU 31 43.543 15.658 22.479 245 HA LEU 31 HA LEU 31 41.268 13.921 23.203 246 HB2 LEU 31 HB2 LEU 31 43.463 13.047 23.869 247 HB3 LEU 31 HB3 LEU 31 43.802 14.540 24.733 248 HG LEU 31 HG LEU 31 41.523 13.931 25.991 249 HD11 LEU 31 HD11 LEU 31 42.457 11.352 24.754 250 HD12 LEU 31 HD12 LEU 31 40.817 11.993 24.873 251 HD13 LEU 31 HD13 LEU 31 41.622 11.360 26.310 252 HD21 LEU 31 HD21 LEU 31 42.825 12.978 27.748 253 HD22 LEU 31 HD22 LEU 31 43.903 14.089 26.903 254 HD23 LEU 31 HD23 LEU 31 44.024 12.353 26.615 255 HA PRO 32 HA PRO 32 39.807 17.706 25.301 256 HB2 PRO 32 HB2 PRO 32 37.913 16.107 26.851 257 HB3 PRO 32 HB3 PRO 32 37.596 17.303 25.585 258 HG2 PRO 32 HG2 PRO 32 37.178 14.636 25.305 259 HG3 PRO 32 HG3 PRO 32 37.492 15.744 23.959 260 HD2 PRO 32 HD2 PRO 32 39.357 13.808 25.271 261 HD3 PRO 32 HD3 PRO 32 39.248 14.304 23.568 262 H LEU 33 H LEU 33 40.497 18.684 27.138 263 HA LEU 33 HA LEU 33 42.280 17.423 28.882 264 HB2 LEU 33 HB2 LEU 33 40.812 20.030 28.927 265 HB3 LEU 33 HB3 LEU 33 41.709 19.527 30.357 266 HG LEU 33 HG LEU 33 42.928 19.575 27.589 267 HD11 LEU 33 HD11 LEU 33 42.535 21.847 27.881 268 HD12 LEU 33 HD12 LEU 33 44.096 21.678 28.688 269 HD13 LEU 33 HD13 LEU 33 42.612 21.740 29.640 270 HD21 LEU 33 HD21 LEU 33 44.974 19.883 29.345 271 HD22 LEU 33 HD22 LEU 33 44.402 18.307 28.813 272 HD23 LEU 33 HD23 LEU 33 43.868 18.961 30.357 273 H ASP 34 H ASP 34 38.885 17.118 28.931 274 HA ASP 34 HA ASP 34 38.552 17.081 31.784 275 HB2 ASP 34 HB2 ASP 34 36.746 16.173 29.542 276 HB3 ASP 34 HB3 ASP 34 36.278 16.241 31.239 277 H TYR 35 H TYR 35 39.973 14.776 29.752 278 HA TYR 35 HA TYR 35 38.801 12.419 30.810 279 HB2 TYR 35 HB2 TYR 35 41.194 13.055 29.184 280 HB3 TYR 35 HB3 TYR 35 41.204 11.516 30.023 281 HD1 TYR 35 HD1 TYR 35 40.219 9.670 29.017 282 HD2 TYR 35 HD2 TYR 35 38.998 13.610 27.822 283 HE1 TYR 35 HE1 TYR 35 38.783 8.688 27.251 284 HE2 TYR 35 HE2 TYR 35 37.563 12.627 26.054 285 HH TYR 35 HH TYR 35 37.813 9.805 24.868 286 HA PRO 36 HA PRO 36 40.772 12.432 34.758 287 HB2 PRO 36 HB2 PRO 36 40.535 9.860 35.553 288 HB3 PRO 36 HB3 PRO 36 39.127 10.929 35.378 289 HG2 PRO 36 HG2 PRO 36 40.130 8.815 33.544 290 HG3 PRO 36 HG3 PRO 36 38.464 9.235 33.983 291 HD2 PRO 36 HD2 PRO 36 39.670 10.039 31.640 292 HD3 PRO 36 HD3 PRO 36 38.323 10.899 32.410 293 H ALA 37 H ALA 37 42.582 11.702 36.017 294 HA ALA 37 HA ALA 37 44.987 11.525 34.668 295 HB1 ALA 37 HB1 ALA 37 45.940 10.756 36.848 296 HB2 ALA 37 HB2 ALA 37 44.293 10.597 37.459 297 HB3 ALA 37 HB3 ALA 37 44.910 12.181 36.989 298 H GLY 38 H GLY 38 46.523 9.855 34.386 299 HA2 GLY 38 HA2 GLY 38 47.183 7.590 34.187 300 HA3 GLY 38 HA3 GLY 38 45.514 7.102 34.463 301 H GLU 39 H GLU 39 44.341 8.912 32.512 302 HA GLU 39 HA GLU 39 44.402 7.217 30.269 303 HB2 GLU 39 HB2 GLU 39 43.478 10.087 30.509 304 HB3 GLU 39 HB3 GLU 39 43.164 9.050 29.118 305 HG2 GLU 39 HG2 GLU 39 42.313 8.461 31.968 306 HG3 GLU 39 HG3 GLU 39 41.259 9.061 30.693 307 H LEU 40 H LEU 40 46.219 10.159 31.013 308 HA LEU 40 HA LEU 40 47.157 10.733 28.426 309 HB2 LEU 40 HB2 LEU 40 47.375 12.246 30.394 310 HB3 LEU 40 HB3 LEU 40 48.606 11.167 31.051 311 HG LEU 40 HG LEU 40 49.876 11.487 28.862 312 HD11 LEU 40 HD11 LEU 40 47.760 13.639 28.582 313 HD12 LEU 40 HD12 LEU 40 48.110 12.331 27.453 314 HD13 LEU 40 HD13 LEU 40 49.271 13.639 27.672 315 HD21 LEU 40 HD21 LEU 40 50.957 13.423 29.679 316 HD22 LEU 40 HD22 LEU 40 50.227 12.717 31.120 317 HD23 LEU 40 HD23 LEU 40 49.460 14.093 30.327 318 H LEU 41 H LEU 41 48.537 8.711 31.004 319 HA LEU 41 HA LEU 41 50.933 8.054 29.662 320 HB2 LEU 41 HB2 LEU 41 50.464 7.703 32.107 321 HB3 LEU 41 HB3 LEU 41 49.448 6.334 31.658 322 HG LEU 41 HG LEU 41 51.588 5.574 30.308 323 HD11 LEU 41 HD11 LEU 41 52.597 7.638 32.244 324 HD12 LEU 41 HD12 LEU 41 53.085 7.344 30.574 325 HD13 LEU 41 HD13 LEU 41 53.602 6.243 31.851 326 HD21 LEU 41 HD21 LEU 41 50.964 5.326 33.234 327 HD22 LEU 41 HD22 LEU 41 52.456 4.613 32.620 328 HD23 LEU 41 HD23 LEU 41 50.900 4.099 31.970 329 H ALA 42 H ALA 42 47.777 6.421 29.775 330 HA ALA 42 HA ALA 42 48.582 4.095 28.401 331 HB1 ALA 42 HB1 ALA 42 46.067 3.955 27.847 332 HB2 ALA 42 HB2 ALA 42 45.909 5.424 28.810 333 HB3 ALA 42 HB3 ALA 42 46.528 3.947 29.549 334 H ARG 43 H ARG 43 47.165 7.127 27.198 335 HA ARG 43 HA ARG 43 46.932 6.333 24.504 336 HB2 ARG 43 HB2 ARG 43 47.424 9.095 25.644 337 HB3 ARG 43 HB3 ARG 43 46.907 8.754 23.994 338 HG2 ARG 43 HG2 ARG 43 45.358 7.885 26.447 339 HG3 ARG 43 HG3 ARG 43 45.030 9.373 25.564 340 HD2 ARG 43 HD2 ARG 43 44.696 7.992 23.493 341 HD3 ARG 43 HD3 ARG 43 44.856 6.546 24.485 342 HE ARG 43 HE ARG 43 42.874 8.362 25.499 343 HH11 ARG 43 HH11 ARG 43 43.399 5.799 23.158 344 HH12 ARG 43 HH12 ARG 43 41.723 5.362 23.112 345 HH21 ARG 43 HH21 ARG 43 40.730 7.754 25.398 346 HH22 ARG 43 HH22 ARG 43 40.233 6.456 24.365 347 H VAL 44 H VAL 44 49.637 7.787 26.286 348 HA VAL 44 HA VAL 44 51.250 8.354 24.052 349 HB VAL 44 HB VAL 44 52.054 7.689 26.897 350 HG11 VAL 44 HG11 VAL 44 53.946 7.486 25.289 351 HG12 VAL 44 HG12 VAL 44 54.152 8.849 26.389 352 HG13 VAL 44 HG13 VAL 44 53.620 9.127 24.730 353 HG21 VAL 44 HG21 VAL 44 50.482 9.716 26.259 354 HG22 VAL 44 HG22 VAL 44 51.982 10.442 25.692 355 HG23 VAL 44 HG23 VAL 44 51.821 9.956 27.380 356 H ARG 45 H ARG 45 51.084 5.456 26.119 357 HA ARG 45 HA ARG 45 53.246 4.149 24.773 358 HB2 ARG 45 HB2 ARG 45 51.104 2.986 26.564 359 HB3 ARG 45 HB3 ARG 45 52.604 2.187 26.096 360 HG2 ARG 45 HG2 ARG 45 52.490 4.829 27.576 361 HG3 ARG 45 HG3 ARG 45 52.694 3.266 28.365 362 HD2 ARG 45 HD2 ARG 45 54.731 2.887 26.942 363 HD3 ARG 45 HD3 ARG 45 54.561 4.533 26.342 364 HE ARG 45 HE ARG 45 54.568 4.799 29.071 365 HH11 ARG 45 HH11 ARG 45 56.792 3.376 26.756 366 HH12 ARG 45 HH12 ARG 45 58.181 3.711 27.734 367 HH21 ARG 45 HH21 ARG 45 56.396 5.206 30.285 368 HH22 ARG 45 HH22 ARG 45 57.958 4.734 29.705 369 H ALA 46 H ALA 46 49.705 3.741 24.595 370 HA ALA 46 HA ALA 46 49.816 1.469 22.905 371 HB1 ALA 46 HB1 ALA 46 47.859 2.174 24.327 372 HB2 ALA 46 HB2 ALA 46 47.447 1.735 22.669 373 HB3 ALA 46 HB3 ALA 46 47.532 3.433 23.137 374 H GLU 47 H GLU 47 49.345 4.932 22.215 375 HA GLU 47 HA GLU 47 49.120 4.450 19.374 376 HB2 GLU 47 HB2 GLU 47 49.311 7.002 20.975 377 HB3 GLU 47 HB3 GLU 47 49.024 6.927 19.237 378 HG2 GLU 47 HG2 GLU 47 47.006 5.534 19.661 379 HG3 GLU 47 HG3 GLU 47 47.273 5.710 21.390 380 H ARG 48 H ARG 48 51.799 4.717 21.462 381 HA ARG 48 HA ARG 48 54.038 5.082 21.115 382 HB2 ARG 48 HB2 ARG 48 53.235 4.400 18.274 383 HB3 ARG 48 HB3 ARG 48 54.896 4.469 18.865 384 HG2 ARG 48 HG2 ARG 48 54.359 2.729 20.546 385 HG3 ARG 48 HG3 ARG 48 52.715 2.638 19.910 386 HD2 ARG 48 HD2 ARG 48 53.975 0.856 18.889 387 HD3 ARG 48 HD3 ARG 48 53.706 2.085 17.657 388 HE ARG 48 HE ARG 48 55.987 2.501 17.628 389 HH11 ARG 48 HH11 ARG 48 55.249 0.554 20.455 390 HH12 ARG 48 HH12 ARG 48 56.918 0.279 20.825 391 HH21 ARG 48 HH21 ARG 48 58.120 2.112 18.156 392 HH22 ARG 48 HH22 ARG 48 58.522 1.151 19.539 393 H LEU 49 H LEU 49 52.930 7.377 21.511 394 HA LEU 49 HA LEU 49 53.021 9.174 19.253 395 HB2 LEU 49 HB2 LEU 49 52.694 9.728 22.210 396 HB3 LEU 49 HB3 LEU 49 52.525 10.931 20.934 397 HG LEU 49 HG LEU 49 50.870 8.398 21.113 398 HD11 LEU 49 HD11 LEU 49 49.068 10.285 21.599 399 HD12 LEU 49 HD12 LEU 49 50.472 11.171 22.193 400 HD13 LEU 49 HD13 LEU 49 50.039 9.622 22.910 401 HD21 LEU 49 HD21 LEU 49 50.807 9.057 18.870 402 HD22 LEU 49 HD22 LEU 49 50.982 10.768 19.265 403 HD23 LEU 49 HD23 LEU 49 49.440 9.953 19.533 404 H ASN 50 H ASN 50 54.488 10.732 18.785 405 HA ASN 50 HA ASN 50 57.163 10.369 19.902 406 HB2 ASN 50 HB2 ASN 50 56.167 12.075 17.609 407 HB3 ASN 50 HB3 ASN 50 57.855 11.876 18.069 408 HD21 ASN 50 HD21 ASN 50 58.949 10.158 17.101 409 HD22 ASN 50 HD22 ASN 50 58.195 8.890 16.266 410 H GLY 51 H GLY 51 54.627 12.847 19.611 411 HA2 GLY 51 HA2 GLY 51 56.068 14.482 21.590 412 HA3 GLY 51 HA3 GLY 51 55.801 15.194 20.008 413 H LEU 52 H LEU 52 54.892 16.470 22.173 414 HA LEU 52 HA LEU 52 51.955 16.098 22.084 415 HB2 LEU 52 HB2 LEU 52 53.569 17.000 24.482 416 HB3 LEU 52 HB3 LEU 52 51.823 16.775 24.419 417 HG LEU 52 HG LEU 52 53.869 14.577 23.979 418 HD11 LEU 52 HD11 LEU 52 53.961 15.128 26.288 419 HD12 LEU 52 HD12 LEU 52 52.838 13.770 26.197 420 HD13 LEU 52 HD13 LEU 52 52.223 15.414 26.371 421 HD21 LEU 52 HD21 LEU 52 51.827 13.124 24.237 422 HD22 LEU 52 HD22 LEU 52 51.804 14.123 22.784 423 HD23 LEU 52 HD23 LEU 52 50.842 14.587 24.188 424 H VAL 53 H VAL 53 50.720 18.002 22.029 425 HA VAL 53 HA VAL 53 52.247 20.525 21.694 426 HB VAL 53 HB VAL 53 49.711 19.700 20.252 427 HG11 VAL 53 HG11 VAL 53 50.135 21.733 18.909 428 HG12 VAL 53 HG12 VAL 53 51.517 22.116 19.934 429 HG13 VAL 53 HG13 VAL 53 49.889 22.126 20.610 430 HG21 VAL 53 HG21 VAL 53 52.374 20.162 18.931 431 HG22 VAL 53 HG22 VAL 53 50.988 19.247 18.345 432 HG23 VAL 53 HG23 VAL 53 52.008 18.580 19.615 433 H VAL 54 H VAL 54 51.663 22.151 23.025 434 HA VAL 54 HA VAL 54 48.913 22.137 24.133 435 HB VAL 54 HB VAL 54 49.863 23.418 26.088 436 HG11 VAL 54 HG11 VAL 54 50.345 20.522 25.517 437 HG12 VAL 54 HG12 VAL 54 49.218 21.282 26.641 438 HG13 VAL 54 HG13 VAL 54 50.933 21.204 27.036 439 HG21 VAL 54 HG21 VAL 54 52.105 23.775 24.801 440 HG22 VAL 54 HG22 VAL 54 52.504 22.158 25.383 441 HG23 VAL 54 HG23 VAL 54 52.160 23.450 26.535 442 H SER 55 H SER 55 47.863 24.079 24.303 443 HA SER 55 HA SER 55 48.953 26.213 22.600 444 HB2 SER 55 HB2 SER 55 46.656 25.107 22.216 445 HB3 SER 55 HB3 SER 55 46.126 26.057 23.601 446 HG SER 55 HG SER 55 46.980 27.858 22.420 447 H SER 56 H SER 56 48.417 25.566 25.950 448 HA SER 56 HA SER 56 48.984 28.335 26.611 449 HB2 SER 56 HB2 SER 56 46.981 28.767 27.869 450 HB3 SER 56 HB3 SER 56 46.506 28.280 26.245 451 HG SER 56 HG SER 56 46.410 26.129 27.260 452 H GLY 57 H GLY 57 49.314 28.684 28.906 453 HA2 GLY 57 HA2 GLY 57 50.829 26.717 30.181 454 HA3 GLY 57 HA3 GLY 57 50.116 28.111 30.988 455 H GLN 58 H GLN 58 47.366 27.450 30.438 456 HA GLN 58 HA GLN 58 46.782 25.877 32.689 457 HB2 GLN 58 HB2 GLN 58 45.068 26.548 30.287 458 HB3 GLN 58 HB3 GLN 58 44.461 25.822 31.775 459 HG2 GLN 58 HG2 GLN 58 45.222 27.750 33.068 460 HG3 GLN 58 HG3 GLN 58 45.928 28.469 31.624 461 HE21 GLN 58 HE21 GLN 58 43.915 29.825 33.147 462 HE22 GLN 58 HE22 GLN 58 42.512 29.933 32.197 463 H GLY 59 H GLY 59 46.795 25.018 29.225 464 HA2 GLY 59 HA2 GLY 59 45.957 22.352 29.500 465 HA3 GLY 59 HA3 GLY 59 46.943 22.974 28.179 466 H LEU 60 H LEU 60 49.203 23.796 29.576 467 HA LEU 60 HA LEU 60 50.719 21.453 29.709 468 HB2 LEU 60 HB2 LEU 60 51.609 23.762 29.394 469 HB3 LEU 60 HB3 LEU 60 51.290 24.082 31.098 470 HG LEU 60 HG LEU 60 52.729 21.958 31.542 471 HD11 LEU 60 HD11 LEU 60 52.673 21.542 28.942 472 HD12 LEU 60 HD12 LEU 60 54.143 21.197 29.853 473 HD13 LEU 60 HD13 LEU 60 54.009 22.693 28.928 474 HD21 LEU 60 HD21 LEU 60 54.582 23.331 31.880 475 HD22 LEU 60 HD22 LEU 60 53.288 24.523 31.776 476 HD23 LEU 60 HD23 LEU 60 54.324 24.223 30.380 477 H GLN 61 H GLN 61 49.276 23.378 32.321 478 HA GLN 61 HA GLN 61 50.336 21.890 34.471 479 HB2 GLN 61 HB2 GLN 61 47.774 23.495 34.302 480 HB3 GLN 61 HB3 GLN 61 48.483 22.889 35.798 481 HG2 GLN 61 HG2 GLN 61 49.829 24.791 33.857 482 HG3 GLN 61 HG3 GLN 61 49.116 25.242 35.403 483 HE21 GLN 61 HE21 GLN 61 52.071 24.851 34.125 484 HE22 GLN 61 HE22 GLN 61 52.904 24.189 35.446 485 H ASN 62 H ASN 62 47.270 21.583 32.703 486 HA ASN 62 HA ASN 62 46.182 19.473 34.199 487 HB2 ASN 62 HB2 ASN 62 45.860 20.032 31.243 488 HB3 ASN 62 HB3 ASN 62 44.811 19.009 32.224 489 HD21 ASN 62 HD21 ASN 62 44.406 21.757 30.792 490 HD22 ASN 62 HD22 ASN 62 43.692 22.714 32.000 491 H LEU 63 H LEU 63 48.432 19.453 31.462 492 HA LEU 63 HA LEU 63 48.521 16.708 30.943 493 HB2 LEU 63 HB2 LEU 63 49.646 18.495 29.590 494 HB3 LEU 63 HB3 LEU 63 50.855 18.635 30.860 495 HG LEU 63 HG LEU 63 51.178 16.076 30.546 496 HD11 LEU 63 HD11 LEU 63 49.078 16.002 29.046 497 HD12 LEU 63 HD12 LEU 63 50.505 15.132 28.483 498 HD13 LEU 63 HD13 LEU 63 50.106 16.704 27.797 499 HD21 LEU 63 HD21 LEU 63 51.998 17.897 28.268 500 HD22 LEU 63 HD22 LEU 63 52.856 16.474 28.859 501 HD23 LEU 63 HD23 LEU 63 52.760 17.924 29.858 502 H TYR 64 H TYR 64 50.337 18.669 33.263 503 HA TYR 64 HA TYR 64 52.055 16.662 34.216 504 HB2 TYR 64 HB2 TYR 64 52.184 19.150 34.638 505 HB3 TYR 64 HB3 TYR 64 50.911 18.943 35.825 506 HD1 TYR 64 HD1 TYR 64 51.363 17.932 37.985 507 HD2 TYR 64 HD2 TYR 64 54.428 18.211 34.987 508 HE1 TYR 64 HE1 TYR 64 53.080 17.369 39.684 509 HE2 TYR 64 HE2 TYR 64 56.133 17.652 36.676 510 HH TYR 64 HH TYR 64 55.697 17.823 39.844 511 H GLN 65 H GLN 65 48.881 17.736 35.396 512 HA GLN 65 HA GLN 65 48.778 16.045 37.651 513 HB2 GLN 65 HB2 GLN 65 46.538 17.230 35.995 514 HB3 GLN 65 HB3 GLN 65 46.318 16.448 37.562 515 HG2 GLN 65 HG2 GLN 65 47.785 18.085 38.627 516 HG3 GLN 65 HG3 GLN 65 48.113 18.839 37.069 517 HE21 GLN 65 HE21 GLN 65 46.974 20.328 39.229 518 HE22 GLN 65 HE22 GLN 65 45.384 20.747 38.810 519 H LEU 66 H LEU 66 47.592 15.573 34.335 520 HA LEU 66 HA LEU 66 46.419 13.043 34.827 521 HB2 LEU 66 HB2 LEU 66 47.427 14.255 32.244 522 HB3 LEU 66 HB3 LEU 66 46.465 12.783 32.349 523 HG LEU 66 HG LEU 66 45.575 15.484 33.406 524 HD11 LEU 66 HD11 LEU 66 43.900 15.130 31.410 525 HD12 LEU 66 HD12 LEU 66 45.165 14.073 30.780 526 HD13 LEU 66 HD13 LEU 66 45.510 15.776 31.082 527 HD21 LEU 66 HD21 LEU 66 43.325 14.254 33.342 528 HD22 LEU 66 HD22 LEU 66 44.451 13.744 34.600 529 HD23 LEU 66 HD23 LEU 66 44.259 12.771 33.143 530 H ALA 67 H ALA 67 49.671 14.002 33.873 531 HA ALA 67 HA ALA 67 50.706 11.493 33.186 532 HB1 ALA 67 HB1 ALA 67 51.959 13.520 32.761 533 HB2 ALA 67 HB2 ALA 67 52.906 12.494 33.839 534 HB3 ALA 67 HB3 ALA 67 52.033 13.882 34.485 535 H ALA 68 H ALA 68 50.407 13.093 36.346 536 HA ALA 68 HA ALA 68 50.375 12.217 38.466 537 HB1 ALA 68 HB1 ALA 68 48.801 10.610 36.953 538 HB2 ALA 68 HB2 ALA 68 49.067 10.350 38.678 539 HB3 ALA 68 HB3 ALA 68 49.999 9.433 37.496 540 H ALA 69 H ALA 69 51.377 9.235 38.858 541 HA ALA 69 HA ALA 69 53.934 9.996 39.743 542 HB1 ALA 69 HB1 ALA 69 53.110 7.162 39.137 543 HB2 ALA 69 HB2 ALA 69 52.484 8.048 40.528 544 HB3 ALA 69 HB3 ALA 69 54.214 7.742 40.384 545 H ASP 70 H ASP 70 52.912 9.116 36.551 546 HA ASP 70 HA ASP 70 55.542 8.043 35.829 547 HB2 ASP 70 HB2 ASP 70 52.978 8.308 34.256 548 HB3 ASP 70 HB3 ASP 70 54.465 7.589 33.639 549 H TRP 71 H TRP 71 54.613 11.118 36.219 550 HA TRP 71 HA TRP 71 55.002 12.493 33.887 551 HB2 TRP 71 HB2 TRP 71 54.402 13.663 35.841 552 HB3 TRP 71 HB3 TRP 71 55.830 13.144 36.700 553 HD1 TRP 71 HD1 TRP 71 57.609 14.911 36.906 554 HE1 TRP 71 HE1 TRP 71 58.247 17.056 35.632 555 HE3 TRP 71 HE3 TRP 71 54.254 14.700 33.057 556 HZ2 TRP 71 HZ2 TRP 71 57.471 18.481 33.285 557 HZ3 TRP 71 HZ3 TRP 71 54.233 16.460 31.316 558 HH2 TRP 71 HH2 TRP 71 55.837 18.350 31.423 559 HA PRO 72 HA PRO 72 59.935 12.288 34.611 560 HB2 PRO 72 HB2 PRO 72 59.804 9.370 35.280 561 HB3 PRO 72 HB3 PRO 72 61.013 10.583 35.750 562 HG2 PRO 72 HG2 PRO 72 59.133 9.754 37.443 563 HG3 PRO 72 HG3 PRO 72 59.717 11.427 37.435 564 HD2 PRO 72 HD2 PRO 72 57.105 10.363 36.548 565 HD3 PRO 72 HD3 PRO 72 57.542 12.005 37.066 566 H GLU 73 H GLU 73 57.867 9.590 33.493 567 HA GLU 73 HA GLU 73 59.637 8.948 31.301 568 HB2 GLU 73 HB2 GLU 73 56.813 8.063 31.939 569 HB3 GLU 73 HB3 GLU 73 57.805 7.404 30.637 570 HG2 GLU 73 HG2 GLU 73 59.525 6.754 32.308 571 HG3 GLU 73 HG3 GLU 73 58.480 7.349 33.591 572 H ILE 74 H ILE 74 56.441 10.465 31.641 573 HA ILE 74 HA ILE 74 55.946 10.881 28.909 574 HB ILE 74 HB ILE 74 54.974 12.429 31.326 575 HG12 ILE 74 HG12 ILE 74 53.639 10.223 29.735 576 HG13 ILE 74 HG13 ILE 74 54.551 9.931 31.212 577 HG21 ILE 74 HG21 ILE 74 53.161 13.213 29.932 578 HG22 ILE 74 HG22 ILE 74 53.730 12.255 28.564 579 HG23 ILE 74 HG23 ILE 74 54.672 13.636 29.129 580 HD11 ILE 74 HD11 ILE 74 52.932 10.836 32.554 581 HD12 ILE 74 HD12 ILE 74 51.893 10.372 31.209 582 HD13 ILE 74 HD13 ILE 74 52.446 12.037 31.358 583 H GLY 75 H GLY 75 57.666 12.855 31.261 584 HA2 GLY 75 HA2 GLY 75 57.815 15.259 29.811 585 HA3 GLY 75 HA3 GLY 75 58.904 14.771 31.099 586 H ARG 76 H ARG 76 59.407 12.285 29.209 587 HA ARG 76 HA ARG 76 61.868 13.211 28.159 588 HB2 ARG 76 HB2 ARG 76 60.278 10.696 27.620 589 HB3 ARG 76 HB3 ARG 76 61.946 10.961 27.102 590 HG2 ARG 76 HG2 ARG 76 62.585 11.377 29.465 591 HG3 ARG 76 HG3 ARG 76 60.939 10.998 29.962 592 HD2 ARG 76 HD2 ARG 76 62.873 9.131 28.569 593 HD3 ARG 76 HD3 ARG 76 62.376 9.054 30.257 594 HE ARG 76 HE ARG 76 60.139 8.947 28.457 595 HH11 ARG 76 HH11 ARG 76 62.649 6.969 29.910 596 HH12 ARG 76 HH12 ARG 76 61.729 5.509 29.749 597 HH21 ARG 76 HH21 ARG 76 59.002 7.038 28.278 598 HH22 ARG 76 HH22 ARG 76 59.691 5.550 28.837 599 H LEU 77 H LEU 77 58.639 13.049 26.799 600 HA LEU 77 HA LEU 77 59.503 12.982 24.070 601 HB2 LEU 77 HB2 LEU 77 56.821 13.614 25.314 602 HB3 LEU 77 HB3 LEU 77 57.096 13.456 23.579 603 HG LEU 77 HG LEU 77 57.967 11.264 25.445 604 HD11 LEU 77 HD11 LEU 77 55.206 11.559 24.219 605 HD12 LEU 77 HD12 LEU 77 55.574 11.758 25.933 606 HD13 LEU 77 HD13 LEU 77 55.787 10.185 25.163 607 HD21 LEU 77 HD21 LEU 77 58.525 11.503 22.908 608 HD22 LEU 77 HD22 LEU 77 56.843 11.038 22.657 609 HD23 LEU 77 HD23 LEU 77 57.945 9.944 23.494 610 HA PRO 78 HA PRO 78 60.168 17.425 23.536 611 HB2 PRO 78 HB2 PRO 78 59.029 17.165 20.811 612 HB3 PRO 78 HB3 PRO 78 60.632 17.722 21.323 613 HG2 PRO 78 HG2 PRO 78 60.217 15.353 20.130 614 HG3 PRO 78 HG3 PRO 78 61.515 15.631 21.301 615 HD2 PRO 78 HD2 PRO 78 58.946 14.172 21.665 616 HD3 PRO 78 HD3 PRO 78 60.518 13.901 22.438 617 H LEU 79 H LEU 79 58.855 19.018 24.253 618 HA LEU 79 HA LEU 79 55.961 18.854 23.663 619 HB2 LEU 79 HB2 LEU 79 56.690 18.934 26.057 620 HB3 LEU 79 HB3 LEU 79 57.363 20.535 25.750 621 HG LEU 79 HG LEU 79 55.045 21.186 24.883 622 HD11 LEU 79 HD11 LEU 79 54.456 18.513 26.168 623 HD12 LEU 79 HD12 LEU 79 54.033 19.050 24.542 624 HD13 LEU 79 HD13 LEU 79 53.216 19.746 25.942 625 HD21 LEU 79 HD21 LEU 79 54.321 21.797 27.057 626 HD22 LEU 79 HD22 LEU 79 56.075 21.670 27.199 627 HD23 LEU 79 HD23 LEU 79 55.044 20.365 27.790 628 H PHE 80 H PHE 80 55.090 20.252 22.277 629 HA PHE 80 HA PHE 80 56.626 22.543 21.296 630 HB2 PHE 80 HB2 PHE 80 53.884 21.503 20.553 631 HB3 PHE 80 HB3 PHE 80 54.711 22.818 19.754 632 HD1 PHE 80 HD1 PHE 80 54.051 19.334 19.769 633 HD2 PHE 80 HD2 PHE 80 57.038 22.221 18.674 634 HE1 PHE 80 HE1 PHE 80 55.034 17.710 18.178 635 HE2 PHE 80 HE2 PHE 80 58.022 20.593 17.080 636 HZ PHE 80 HZ PHE 80 57.009 18.342 16.823 637 H VAL 81 H VAL 81 56.341 24.547 22.174 638 HA VAL 81 HA VAL 81 53.756 25.136 23.503 639 HB VAL 81 HB VAL 81 54.956 26.687 24.955 640 HG11 VAL 81 HG11 VAL 81 56.147 23.902 24.841 641 HG12 VAL 81 HG12 VAL 81 54.692 24.387 25.711 642 HG13 VAL 81 HG13 VAL 81 56.269 24.987 26.226 643 HG21 VAL 81 HG21 VAL 81 56.829 27.526 23.909 644 HG22 VAL 81 HG22 VAL 81 57.222 25.995 23.134 645 HG23 VAL 81 HG23 VAL 81 57.610 26.245 24.833 646 HA PRO 82 HA PRO 82 53.360 28.187 20.387 647 HB2 PRO 82 HB2 PRO 82 51.475 29.837 21.405 648 HB3 PRO 82 HB3 PRO 82 51.117 28.167 20.922 649 HG2 PRO 82 HG2 PRO 82 51.484 29.311 23.626 650 HG3 PRO 82 HG3 PRO 82 50.422 28.003 23.080 651 HD2 PRO 82 HD2 PRO 82 52.877 27.656 24.378 652 HD3 PRO 82 HD3 PRO 82 52.005 26.409 23.462 653 H SER 83 H SER 83 54.397 29.269 23.542 654 HA SER 83 HA SER 83 55.480 31.727 22.356 655 HB2 SER 83 HB2 SER 83 54.451 33.189 23.902 656 HB3 SER 83 HB3 SER 83 53.155 32.136 23.348 657 HG SER 83 HG SER 83 54.223 32.390 25.793 658 HA PRO 84 HA PRO 84 58.971 31.061 25.017 659 HB2 PRO 84 HB2 PRO 84 58.696 33.842 26.053 660 HB3 PRO 84 HB3 PRO 84 60.096 33.045 25.311 661 HG2 PRO 84 HG2 PRO 84 58.663 34.853 23.990 662 HG3 PRO 84 HG3 PRO 84 59.370 33.445 23.176 663 HD2 PRO 84 HD2 PRO 84 56.522 33.946 23.924 664 HD3 PRO 84 HD3 PRO 84 57.188 33.058 22.536 665 H ARG 85 H ARG 85 56.338 32.948 26.531 666 HA ARG 85 HA ARG 85 57.001 32.418 29.205 667 HB2 ARG 85 HB2 ARG 85 54.300 32.936 27.945 668 HB3 ARG 85 HB3 ARG 85 54.614 32.952 29.681 669 HG2 ARG 85 HG2 ARG 85 56.350 34.714 29.304 670 HG3 ARG 85 HG3 ARG 85 55.883 34.759 27.604 671 HD2 ARG 85 HD2 ARG 85 54.084 35.367 29.966 672 HD3 ARG 85 HD3 ARG 85 54.736 36.540 28.827 673 HE ARG 85 HE ARG 85 53.411 34.826 27.206 674 HH11 ARG 85 HH11 ARG 85 52.410 36.492 30.129 675 HH12 ARG 85 HH12 ARG 85 50.750 36.560 29.641 676 HH21 ARG 85 HH21 ARG 85 51.259 34.944 26.631 677 HH22 ARG 85 HH22 ARG 85 50.107 35.694 27.686 678 H VAL 86 H VAL 86 54.768 30.672 27.027 679 HA VAL 86 HA VAL 86 53.999 28.688 28.864 680 HB VAL 86 HB VAL 86 54.278 28.455 25.856 681 HG11 VAL 86 HG11 VAL 86 52.801 26.820 27.933 682 HG12 VAL 86 HG12 VAL 86 54.002 26.254 26.774 683 HG13 VAL 86 HG13 VAL 86 52.406 26.757 26.215 684 HG21 VAL 86 HG21 VAL 86 52.847 30.354 26.746 685 HG22 VAL 86 HG22 VAL 86 51.827 29.129 27.503 686 HG23 VAL 86 HG23 VAL 86 51.988 29.182 25.747 687 H ALA 87 H ALA 87 56.765 28.871 26.653 688 HA ALA 87 HA ALA 87 57.777 26.285 26.991 689 HB1 ALA 87 HB1 ALA 87 58.533 28.310 25.468 690 HB2 ALA 87 HB2 ALA 87 59.689 27.066 25.947 691 HB3 ALA 87 HB3 ALA 87 59.649 28.610 26.800 692 H GLU 88 H GLU 88 58.309 29.227 28.896 693 HA GLU 88 HA GLU 88 60.223 28.189 30.675 694 HB2 GLU 88 HB2 GLU 88 58.131 30.334 31.115 695 HB3 GLU 88 HB3 GLU 88 59.485 30.015 32.200 696 HG2 GLU 88 HG2 GLU 88 61.055 30.423 30.315 697 HG3 GLU 88 HG3 GLU 88 59.687 30.822 29.287 698 H MET 89 H MET 89 56.678 28.179 30.800 699 HA MET 89 HA MET 89 56.340 27.105 33.368 700 HB2 MET 89 HB2 MET 89 54.685 26.656 30.867 701 HB3 MET 89 HB3 MET 89 54.156 26.288 32.506 702 HG2 MET 89 HG2 MET 89 54.950 29.037 31.500 703 HG3 MET 89 HG3 MET 89 53.295 28.481 31.736 704 HE1 MET 89 HE1 MET 89 53.613 26.772 34.668 705 HE2 MET 89 HE2 MET 89 52.384 27.586 33.703 706 HE3 MET 89 HE3 MET 89 52.708 28.130 35.348 707 H ALA 90 H ALA 90 56.750 25.493 30.242 708 HA ALA 90 HA ALA 90 56.489 22.841 31.155 709 HB1 ALA 90 HB1 ALA 90 57.411 22.178 29.062 710 HB2 ALA 90 HB2 ALA 90 58.261 23.712 28.871 711 HB3 ALA 90 HB3 ALA 90 56.502 23.657 28.746 712 H ARG 91 H ARG 91 59.326 24.947 30.884 713 HA ARG 91 HA ARG 91 61.277 23.025 31.523 714 HB2 ARG 91 HB2 ARG 91 61.757 25.289 30.596 715 HB3 ARG 91 HB3 ARG 91 61.339 25.985 32.161 716 HG2 ARG 91 HG2 ARG 91 63.109 24.573 33.217 717 HG3 ARG 91 HG3 ARG 91 63.574 24.011 31.610 718 HD2 ARG 91 HD2 ARG 91 63.583 26.902 32.523 719 HD3 ARG 91 HD3 ARG 91 65.008 25.880 32.365 720 HE ARG 91 HE ARG 91 63.404 26.104 29.958 721 HH11 ARG 91 HH11 ARG 91 66.099 27.453 31.757 722 HH12 ARG 91 HH12 ARG 91 66.798 28.188 30.353 723 HH21 ARG 91 HH21 ARG 91 64.350 27.073 28.186 724 HH22 ARG 91 HH22 ARG 91 65.819 27.974 28.357 725 H GLU 92 H GLU 92 59.390 25.205 33.606 726 HA GLU 92 HA GLU 92 60.723 24.630 36.013 727 HB2 GLU 92 HB2 GLU 92 57.856 25.462 35.531 728 HB3 GLU 92 HB3 GLU 92 58.637 25.441 37.113 729 HG2 GLU 92 HG2 GLU 92 59.591 27.031 34.716 730 HG3 GLU 92 HG3 GLU 92 58.703 27.695 36.081 731 H LEU 93 H LEU 93 58.016 22.989 34.421 732 HA LEU 93 HA LEU 93 57.471 21.172 36.524 733 HB2 LEU 93 HB2 LEU 93 57.066 20.765 33.557 734 HB3 LEU 93 HB3 LEU 93 56.342 19.798 34.835 735 HG LEU 93 HG LEU 93 55.861 22.754 34.339 736 HD11 LEU 93 HD11 LEU 93 54.705 21.408 32.716 737 HD12 LEU 93 HD12 LEU 93 53.514 21.859 33.936 738 HD13 LEU 93 HD13 LEU 93 54.219 20.241 33.948 739 HD21 LEU 93 HD21 LEU 93 54.860 20.856 36.483 740 HD22 LEU 93 HD22 LEU 93 54.039 22.367 36.089 741 HD23 LEU 93 HD23 LEU 93 55.688 22.397 36.713 742 H GLY 94 H GLY 94 60.088 21.239 34.238 743 HA2 GLY 94 HA2 GLY 94 61.994 19.813 34.631 744 HA3 GLY 94 HA3 GLY 94 60.897 18.544 35.143 745 H ALA 95 H ALA 95 59.858 20.229 32.283 746 HA ALA 95 HA ALA 95 59.841 17.885 30.730 747 HB1 ALA 95 HB1 ALA 95 59.440 19.407 28.812 748 HB2 ALA 95 HB2 ALA 95 59.828 20.783 29.846 749 HB3 ALA 95 HB3 ALA 95 58.413 19.790 30.193 750 H GLN 96 H GLN 96 61.388 16.846 29.675 751 HA GLN 96 HA GLN 96 64.093 17.618 30.133 752 HB2 GLN 96 HB2 GLN 96 62.925 15.388 28.452 753 HB3 GLN 96 HB3 GLN 96 64.629 15.544 28.895 754 HG2 GLN 96 HG2 GLN 96 64.011 15.489 31.286 755 HG3 GLN 96 HG3 GLN 96 62.318 15.311 30.844 756 HE21 GLN 96 HE21 GLN 96 62.466 13.221 32.111 757 HE22 GLN 96 HE22 GLN 96 63.084 11.846 31.342 758 H ARG 97 H ARG 97 61.963 17.684 27.312 759 HA ARG 97 HA ARG 97 63.956 19.408 25.969 760 HB2 ARG 97 HB2 ARG 97 63.986 17.143 24.951 761 HB3 ARG 97 HB3 ARG 97 62.266 17.306 24.592 762 HG2 ARG 97 HG2 ARG 97 62.737 19.310 23.234 763 HG3 ARG 97 HG3 ARG 97 64.461 19.135 23.571 764 HD2 ARG 97 HD2 ARG 97 64.380 16.864 22.526 765 HD3 ARG 97 HD3 ARG 97 62.698 17.164 22.097 766 HE ARG 97 HE ARG 97 63.993 19.307 21.042 767 HH11 ARG 97 HH11 ARG 97 64.527 15.850 20.737 768 HH12 ARG 97 HH12 ARG 97 65.194 15.993 19.145 769 HH21 ARG 97 HH21 ARG 97 64.860 19.428 18.991 770 HH22 ARG 97 HH22 ARG 97 65.379 17.995 18.169 771 H VAL 98 H VAL 98 63.113 21.361 25.723 772 HA VAL 98 HA VAL 98 60.193 21.616 25.262 773 HB VAL 98 HB VAL 98 62.086 23.642 26.484 774 HG11 VAL 98 HG11 VAL 98 59.842 24.695 27.121 775 HG12 VAL 98 HG12 VAL 98 59.109 23.599 25.951 776 HG13 VAL 98 HG13 VAL 98 60.289 24.798 25.419 777 HG21 VAL 98 HG21 VAL 98 59.994 21.833 27.739 778 HG22 VAL 98 HG22 VAL 98 60.817 23.144 28.581 779 HG23 VAL 98 HG23 VAL 98 61.735 21.753 28.005 780 H ILE 99 H ILE 99 59.548 22.502 23.417 781 HA ILE 99 HA ILE 99 61.564 23.770 21.659 782 HB ILE 99 HB ILE 99 59.200 22.008 20.954 783 HG12 ILE 99 HG12 ILE 99 62.161 21.528 20.536 784 HG13 ILE 99 HG13 ILE 99 61.270 20.920 21.930 785 HG21 ILE 99 HG21 ILE 99 59.267 23.316 19.075 786 HG22 ILE 99 HG22 ILE 99 60.558 22.199 18.636 787 HG23 ILE 99 HG23 ILE 99 60.952 23.777 19.315 788 HD11 ILE 99 HD11 ILE 99 59.774 19.655 20.471 789 HD12 ILE 99 HD12 ILE 99 61.447 19.230 20.105 790 HD13 ILE 99 HD13 ILE 99 60.563 20.325 19.042 791 H ASP 100 H ASP 100 61.158 25.862 21.299 792 HA ASP 100 HA ASP 100 58.452 26.919 21.669 793 HB2 ASP 100 HB2 ASP 100 60.412 28.118 22.637 794 HB3 ASP 100 HB3 ASP 100 61.018 28.382 21.002 795 H CYS 101 H CYS 101 57.100 27.002 19.988 796 HA CYS 101 HA CYS 101 58.202 26.820 17.277 797 HB2 CYS 101 HB2 CYS 101 55.946 26.214 16.593 798 HB3 CYS 101 HB3 CYS 101 56.465 25.215 17.949 799 HG CYS 101 HG CYS 101 54.590 26.118 19.284 800 H ARG 102 H ARG 102 57.249 29.338 19.280 801 HA ARG 102 HA ARG 102 55.608 30.936 17.682 802 HB2 ARG 102 HB2 ARG 102 56.235 31.427 20.047 803 HB3 ARG 102 HB3 ARG 102 57.837 31.906 19.485 804 HG2 ARG 102 HG2 ARG 102 56.800 33.620 18.025 805 HG3 ARG 102 HG3 ARG 102 55.211 33.166 18.642 806 HD2 ARG 102 HD2 ARG 102 55.991 33.725 20.945 807 HD3 ARG 102 HD3 ARG 102 57.515 34.286 20.261 808 HE ARG 102 HE ARG 102 54.980 35.666 20.212 809 HH11 ARG 102 HH11 ARG 102 58.070 35.357 18.575 810 HH12 ARG 102 HH12 ARG 102 57.970 36.939 17.876 811 HH21 ARG 102 HH21 ARG 102 54.908 37.693 19.285 812 HH22 ARG 102 HH22 ARG 102 56.201 38.243 18.273 813 H GLY 103 H GLY 103 59.134 30.566 17.665 814 HA2 GLY 103 HA2 GLY 103 59.344 32.375 15.364 815 HA3 GLY 103 HA3 GLY 103 60.688 31.709 16.285 816 H ALA 104 H ALA 104 59.751 28.966 16.221 817 HA ALA 104 HA ALA 104 60.809 28.177 13.677 818 HB1 ALA 104 HB1 ALA 104 60.892 26.958 15.999 819 HB2 ALA 104 HB2 ALA 104 60.788 26.010 14.515 820 HB3 ALA 104 HB3 ALA 104 59.343 26.290 15.487 821 H SER 105 H SER 105 59.765 27.267 11.934 822 HA SER 105 HA SER 105 56.916 27.870 11.715 823 HB2 SER 105 HB2 SER 105 58.915 26.886 9.663 824 HB3 SER 105 HB3 SER 105 57.241 27.310 9.324 825 HG SER 105 HG SER 105 57.837 29.311 9.403 826 H ALA 106 H ALA 106 55.437 26.274 10.772 827 HA ALA 106 HA ALA 106 55.220 23.932 12.178 828 HB1 ALA 106 HB1 ALA 106 53.682 23.160 10.377 829 HB2 ALA 106 HB2 ALA 106 54.191 24.542 9.406 830 HB3 ALA 106 HB3 ALA 106 53.358 24.800 10.937 831 HA PRO 107 HA PRO 107 57.198 21.295 8.647 832 HB2 PRO 107 HB2 PRO 107 59.159 22.648 7.178 833 HB3 PRO 107 HB3 PRO 107 57.542 22.212 6.597 834 HG2 PRO 107 HG2 PRO 107 58.553 24.801 7.599 835 HG3 PRO 107 HG3 PRO 107 57.335 24.459 6.358 836 HD2 PRO 107 HD2 PRO 107 56.672 25.324 8.820 837 HD3 PRO 107 HD3 PRO 107 55.621 24.236 7.896 838 H ALA 108 H ALA 108 59.033 23.959 10.091 839 HA ALA 108 HA ALA 108 61.434 22.582 10.608 840 HB1 ALA 108 HB1 ALA 108 60.758 25.104 10.961 841 HB2 ALA 108 HB2 ALA 108 61.988 24.365 11.987 842 HB3 ALA 108 HB3 ALA 108 60.338 24.551 12.583 843 H LEU 109 H LEU 109 58.437 22.853 12.489 844 HA LEU 109 HA LEU 109 59.240 21.409 14.753 845 HB2 LEU 109 HB2 LEU 109 56.486 21.469 13.497 846 HB3 LEU 109 HB3 LEU 109 56.861 21.043 15.164 847 HG LEU 109 HG LEU 109 57.405 23.741 13.889 848 HD11 LEU 109 HD11 LEU 109 55.587 24.528 15.363 849 HD12 LEU 109 HD12 LEU 109 55.317 22.874 15.911 850 HD13 LEU 109 HD13 LEU 109 55.001 23.309 14.231 851 HD21 LEU 109 HD21 LEU 109 59.018 23.301 15.640 852 HD22 LEU 109 HD22 LEU 109 57.761 22.684 16.710 853 HD23 LEU 109 HD23 LEU 109 57.804 24.398 16.298 854 H LEU 110 H LEU 110 57.908 20.303 11.662 855 HA LEU 110 HA LEU 110 57.575 17.584 12.247 856 HB2 LEU 110 HB2 LEU 110 56.833 18.693 10.146 857 HB3 LEU 110 HB3 LEU 110 58.516 18.792 9.632 858 HG LEU 110 HG LEU 110 58.642 16.273 9.900 859 HD11 LEU 110 HD11 LEU 110 56.850 15.677 11.278 860 HD12 LEU 110 HD12 LEU 110 56.228 15.263 9.681 861 HD13 LEU 110 HD13 LEU 110 55.732 16.766 10.459 862 HD21 LEU 110 HD21 LEU 110 57.772 15.882 7.732 863 HD22 LEU 110 HD22 LEU 110 58.165 17.601 7.730 864 HD23 LEU 110 HD23 LEU 110 56.493 17.079 7.937 865 H ALA 111 H ALA 111 60.412 19.339 11.059 866 HA ALA 111 HA ALA 111 62.165 17.151 10.840 867 HB1 ALA 111 HB1 ALA 111 63.189 19.817 11.735 868 HB2 ALA 111 HB2 ALA 111 62.425 19.685 10.150 869 HB3 ALA 111 HB3 ALA 111 63.846 18.711 10.527 870 H ALA 112 H ALA 112 61.391 19.244 13.588 871 HA ALA 112 HA ALA 112 63.363 18.326 15.361 872 HB1 ALA 112 HB1 ALA 112 61.925 19.213 17.138 873 HB2 ALA 112 HB2 ALA 112 60.570 19.301 16.011 874 HB3 ALA 112 HB3 ALA 112 61.982 20.330 15.774 875 H LEU 113 H LEU 113 60.084 17.121 14.726 876 HA LEU 113 HA LEU 113 59.967 15.199 16.772 877 HB2 LEU 113 HB2 LEU 113 58.613 15.585 14.138 878 HB3 LEU 113 HB3 LEU 113 58.472 13.998 14.890 879 HG LEU 113 HG LEU 113 57.949 16.468 16.524 880 HD11 LEU 113 HD11 LEU 113 55.859 15.052 14.848 881 HD12 LEU 113 HD12 LEU 113 56.611 16.575 14.373 882 HD13 LEU 113 HD13 LEU 113 55.637 16.492 15.842 883 HD21 LEU 113 HD21 LEU 113 57.925 14.552 17.866 884 HD22 LEU 113 HD22 LEU 113 57.268 13.538 16.582 885 HD23 LEU 113 HD23 LEU 113 56.223 14.686 17.421 886 H THR 114 H THR 114 61.095 14.911 13.418 887 HA THR 114 HA THR 114 61.619 12.139 13.529 888 HB THR 114 HB THR 114 62.936 12.491 11.490 889 HG1 THR 114 HG1 THR 114 63.347 14.566 10.866 890 HG21 THR 114 HG21 THR 114 60.647 14.416 11.267 891 HG22 THR 114 HG22 THR 114 60.313 12.734 11.682 892 HG23 THR 114 HG23 THR 114 61.132 13.125 10.168 893 H SER 115 H SER 115 63.710 14.933 14.180 894 HA SER 115 HA SER 115 66.099 13.459 14.539 895 HB2 SER 115 HB2 SER 115 66.980 15.469 15.557 896 HB3 SER 115 HB3 SER 115 65.975 15.924 14.184 897 HG SER 115 HG SER 115 65.413 16.085 16.895 898 H ALA 116 H ALA 116 63.567 14.453 16.813 899 HA ALA 116 HA ALA 116 64.863 13.657 19.179 900 HB1 ALA 116 HB1 ALA 116 62.881 15.098 19.181 901 HB2 ALA 116 HB2 ALA 116 62.608 13.668 20.177 902 HB3 ALA 116 HB3 ALA 116 61.901 13.768 18.565 903 H ALA 117 H ALA 117 62.775 11.875 16.939 904 HA ALA 117 HA ALA 117 62.463 9.525 18.425 905 HB1 ALA 117 HB1 ALA 117 62.485 10.105 15.474 906 HB2 ALA 117 HB2 ALA 117 61.117 9.702 16.512 907 HB3 ALA 117 HB3 ALA 117 62.289 8.459 16.075 908 H LEU 118 H LEU 118 65.137 10.612 16.392 909 HA LEU 118 HA LEU 118 66.552 8.207 16.153 910 HB2 LEU 118 HB2 LEU 118 67.681 11.000 16.469 911 HB3 LEU 118 HB3 LEU 118 68.539 9.605 15.815 912 HG LEU 118 HG LEU 118 65.997 10.767 14.639 913 HD11 LEU 118 HD11 LEU 118 68.871 10.975 13.690 914 HD12 LEU 118 HD12 LEU 118 67.943 12.289 14.413 915 HD13 LEU 118 HD13 LEU 118 67.458 11.618 12.855 916 HD21 LEU 118 HD21 LEU 118 66.887 9.322 12.663 917 HD22 LEU 118 HD22 LEU 118 66.086 8.496 14.000 918 HD23 LEU 118 HD23 LEU 118 67.846 8.503 13.895 919 H GLU 119 H GLU 119 66.515 10.593 18.775 920 HA GLU 119 HA GLU 119 68.575 9.454 20.334 921 HB2 GLU 119 HB2 GLU 119 66.164 11.082 21.164 922 HB3 GLU 119 HB3 GLU 119 67.538 10.716 22.208 923 HG2 GLU 119 HG2 GLU 119 69.047 11.804 20.555 924 HG3 GLU 119 HG3 GLU 119 67.643 12.232 19.586 925 H HIS 120 H HIS 120 65.130 8.731 20.092 926 HA HIS 120 HA HIS 120 64.782 7.223 22.413 927 HB2 HIS 120 HB2 HIS 120 62.964 7.918 20.888 928 HB3 HIS 120 HB3 HIS 120 63.533 6.757 19.703 929 HD1 HIS 120 HD1 HIS 120 62.388 6.715 23.349 930 HD2 HIS 120 HD2 HIS 120 62.204 4.358 19.915 931 HE1 HIS 120 HE1 HIS 120 60.980 4.696 23.941 932 H HIS 121 H HIS 121 66.075 6.273 19.257 933 HA HIS 121 HA HIS 121 66.677 3.586 20.350 934 HB2 HIS 121 HB2 HIS 121 65.236 3.610 18.357 935 HB3 HIS 121 HB3 HIS 121 66.461 4.508 17.482 936 HD1 HIS 121 HD1 HIS 121 68.473 3.198 16.574 937 HD2 HIS 121 HD2 HIS 121 65.856 0.844 18.809 938 HE1 HIS 121 HE1 HIS 121 69.169 0.794 16.193 939 H HIS 122 H HIS 122 68.735 2.992 20.605 940 HA HIS 122 HA HIS 122 70.855 4.728 19.469 941 HB2 HIS 122 HB2 HIS 122 70.873 3.086 22.005 942 HB3 HIS 122 HB3 HIS 122 72.234 3.997 21.379 943 HD1 HIS 122 HD1 HIS 122 71.688 6.701 21.118 944 HD2 HIS 122 HD2 HIS 122 69.309 4.517 23.755 945 HE1 HIS 122 HE1 HIS 122 70.591 8.386 22.654 946 H HIS 123 H HIS 123 72.284 3.808 18.140 947 HA HIS 123 HA HIS 123 71.985 1.181 17.178 948 HB2 HIS 123 HB2 HIS 123 73.069 3.023 15.930 949 HB3 HIS 123 HB3 HIS 123 74.422 2.961 17.044 950 HD1 HIS 123 HD1 HIS 123 72.592 0.534 14.726 951 HD2 HIS 123 HD2 HIS 123 76.446 1.368 16.078 952 HE1 HIS 123 HE1 HIS 123 74.137 -1.060 13.510 953 H HIS 124 H HIS 124 74.235 2.569 19.542 954 HA HIS 124 HA HIS 124 75.885 0.359 19.950 955 HB2 HIS 124 HB2 HIS 124 74.959 2.417 21.957 956 HB3 HIS 124 HB3 HIS 124 76.306 1.319 22.188 957 HD1 HIS 124 HD1 HIS 124 78.253 1.592 20.226 958 HD2 HIS 124 HD2 HIS 124 75.695 4.824 20.856 959 HE1 HIS 124 HE1 HIS 124 79.394 3.615 19.219 960 H HIS 125 H HIS 125 72.741 1.136 21.380 961 HA HIS 125 HA HIS 125 72.740 -1.484 22.751 962 HB2 HIS 125 HB2 HIS 125 70.958 0.916 23.182 963 HB3 HIS 125 HB3 HIS 125 70.926 -0.573 24.108 964 HD1 HIS 125 HD1 HIS 125 73.337 -1.099 25.372 965 HD2 HIS 125 HD2 HIS 125 72.573 2.851 24.278 966 HE1 HIS 125 HE1 HIS 125 74.905 0.340 26.744 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 58.828 6.816 9.635 2 H2 MET 1 HT2 MET 1 57.451 6.450 10.559 3 H3 MET 1 HT3 MET 1 57.925 8.066 10.341 4 HA MET 1 HA MET 1 57.638 7.489 7.824 5 HB2 MET 1 HB2 MET 1 55.745 5.590 9.250 6 HB3 MET 1 HB3 MET 1 55.772 5.903 7.517 7 HG2 MET 1 HG2 MET 1 58.026 4.686 9.140 8 HG3 MET 1 HG3 MET 1 56.969 3.820 8.030 9 HE1 MET 1 HE1 MET 1 57.809 5.020 4.588 10 HE2 MET 1 HE2 MET 1 56.758 6.071 5.536 11 HE3 MET 1 HE3 MET 1 56.635 4.321 5.711 12 H ASP 2 H ASP 2 55.086 7.152 10.297 13 HA ASP 2 HA ASP 2 54.099 9.845 9.558 14 HB2 ASP 2 HB2 ASP 2 52.413 7.410 10.177 15 HB3 ASP 2 HB3 ASP 2 51.812 9.021 9.791 16 HA PRO 3 HA PRO 3 55.168 9.528 14.099 17 HB2 PRO 3 HB2 PRO 3 55.320 12.326 14.355 18 HB3 PRO 3 HB3 PRO 3 56.685 11.222 14.114 19 HG2 PRO 3 HG2 PRO 3 55.242 12.893 12.143 20 HG3 PRO 3 HG3 PRO 3 56.959 12.455 12.224 21 HD2 PRO 3 HD2 PRO 3 55.312 11.290 10.450 22 HD3 PRO 3 HD3 PRO 3 56.624 10.374 11.227 23 H LYS 4 H LYS 4 53.918 10.127 15.951 24 HA LYS 4 HA LYS 4 51.178 11.062 15.303 25 HB2 LYS 4 HB2 LYS 4 52.138 9.197 17.488 26 HB3 LYS 4 HB3 LYS 4 50.473 9.734 17.273 27 HG2 LYS 4 HG2 LYS 4 50.490 8.746 14.983 28 HG3 LYS 4 HG3 LYS 4 52.110 8.124 15.295 29 HD2 LYS 4 HD2 LYS 4 51.207 6.890 17.271 30 HD3 LYS 4 HD3 LYS 4 49.588 7.429 16.825 31 HE2 LYS 4 HE2 LYS 4 51.312 6.022 14.802 32 HE3 LYS 4 HE3 LYS 4 50.407 5.090 15.995 33 HZ1 LYS 4 HZ1 LYS 4 48.380 6.018 15.244 34 HZ2 LYS 4 HZ2 LYS 4 49.221 5.510 13.857 35 HZ3 LYS 4 HZ3 LYS 4 49.171 7.158 14.269 36 H VAL 5 H VAL 5 50.294 12.715 16.499 37 HA VAL 5 HA VAL 5 51.720 13.578 18.931 38 HB VAL 5 HB VAL 5 51.272 15.972 18.274 39 HG11 VAL 5 HG11 VAL 5 53.270 14.160 16.969 40 HG12 VAL 5 HG12 VAL 5 53.515 15.385 18.214 41 HG13 VAL 5 HG13 VAL 5 53.246 15.871 16.539 42 HG21 VAL 5 HG21 VAL 5 51.191 16.354 15.774 43 HG22 VAL 5 HG22 VAL 5 49.703 15.704 16.462 44 HG23 VAL 5 HG23 VAL 5 50.809 14.645 15.587 45 H LEU 6 H LEU 6 50.533 14.447 20.520 46 HA LEU 6 HA LEU 6 47.603 14.155 20.260 47 HB2 LEU 6 HB2 LEU 6 48.801 12.786 21.991 48 HB3 LEU 6 HB3 LEU 6 49.255 14.290 22.790 49 HG LEU 6 HG LEU 6 46.727 14.844 22.747 50 HD11 LEU 6 HD11 LEU 6 45.460 12.545 22.942 51 HD12 LEU 6 HD12 LEU 6 46.793 11.945 21.957 52 HD13 LEU 6 HD13 LEU 6 45.762 13.240 21.350 53 HD21 LEU 6 HD21 LEU 6 46.369 13.479 24.821 54 HD22 LEU 6 HD22 LEU 6 47.911 14.335 24.814 55 HD23 LEU 6 HD23 LEU 6 47.859 12.608 24.458 56 H ILE 7 H ILE 7 46.291 15.867 20.535 57 HA ILE 7 HA ILE 7 47.544 18.487 21.023 58 HB ILE 7 HB ILE 7 44.748 17.906 20.019 59 HG12 ILE 7 HG12 ILE 7 47.099 18.774 18.329 60 HG13 ILE 7 HG13 ILE 7 46.658 17.075 18.507 61 HG21 ILE 7 HG21 ILE 7 44.925 20.266 19.215 62 HG22 ILE 7 HG22 ILE 7 46.482 20.393 20.032 63 HG23 ILE 7 HG23 ILE 7 45.013 20.132 20.972 64 HD11 ILE 7 HD11 ILE 7 44.533 19.069 17.767 65 HD12 ILE 7 HD12 ILE 7 44.617 17.343 17.424 66 HD13 ILE 7 HD13 ILE 7 45.635 18.473 16.529 67 H MET 8 H MET 8 47.140 19.609 22.840 68 HA MET 8 HA MET 8 44.973 18.717 24.620 69 HB2 MET 8 HB2 MET 8 47.296 20.608 25.053 70 HB3 MET 8 HB3 MET 8 46.091 20.204 26.275 71 HG2 MET 8 HG2 MET 8 46.690 17.770 25.926 72 HG3 MET 8 HG3 MET 8 48.035 18.317 24.924 73 HE1 MET 8 HE1 MET 8 46.325 18.051 28.171 74 HE2 MET 8 HE2 MET 8 46.452 19.802 28.325 75 HE3 MET 8 HE3 MET 8 47.373 18.759 29.404 76 H ARG 9 H ARG 9 43.174 19.918 24.941 77 HA ARG 9 HA ARG 9 42.439 21.872 23.081 78 HB2 ARG 9 HB2 ARG 9 41.282 21.193 25.783 79 HB3 ARG 9 HB3 ARG 9 40.546 22.358 24.681 80 HG2 ARG 9 HG2 ARG 9 40.503 20.580 22.916 81 HG3 ARG 9 HG3 ARG 9 41.085 19.428 24.120 82 HD2 ARG 9 HD2 ARG 9 39.103 19.951 25.532 83 HD3 ARG 9 HD3 ARG 9 38.511 21.017 24.263 84 HE ARG 9 HE ARG 9 39.055 18.235 23.527 85 HH11 ARG 9 HH11 ARG 9 36.620 20.621 24.388 86 HH12 ARG 9 HH12 ARG 9 35.349 19.745 23.604 87 HH21 ARG 9 HH21 ARG 9 37.368 17.164 22.530 88 HH22 ARG 9 HH22 ARG 9 35.765 17.819 22.572 89 H GLY 10 H GLY 10 42.170 24.073 23.182 90 HA2 GLY 10 HA2 GLY 10 43.055 25.653 25.418 91 HA3 GLY 10 HA3 GLY 10 44.209 25.634 24.087 92 H GLU 11 H GLU 11 43.282 28.044 24.617 93 HA GLU 11 HA GLU 11 40.838 28.907 23.643 94 HB2 GLU 11 HB2 GLU 11 42.517 30.312 24.844 95 HB3 GLU 11 HB3 GLU 11 43.458 30.390 23.354 96 HG2 GLU 11 HG2 GLU 11 41.479 31.353 22.191 97 HG3 GLU 11 HG3 GLU 11 40.607 31.351 23.718 98 H GLY 12 H GLY 12 43.734 28.044 21.824 99 HA2 GLY 12 HA2 GLY 12 43.003 29.180 19.341 100 HA3 GLY 12 HA3 GLY 12 44.115 27.833 19.562 101 H GLY 13 H GLY 13 42.567 27.747 17.366 102 HA2 GLY 13 HA2 GLY 13 40.088 26.322 17.887 103 HA3 GLY 13 HA3 GLY 13 40.740 26.747 16.308 104 H ARG 14 H ARG 14 39.908 24.189 18.069 105 HA ARG 14 HA ARG 14 42.063 22.406 18.090 106 HB2 ARG 14 HB2 ARG 14 39.129 21.826 17.599 107 HB3 ARG 14 HB3 ARG 14 40.342 20.636 18.068 108 HG2 ARG 14 HG2 ARG 14 40.764 21.888 20.153 109 HG3 ARG 14 HG3 ARG 14 39.532 23.065 19.694 110 HD2 ARG 14 HD2 ARG 14 37.907 21.105 19.550 111 HD3 ARG 14 HD3 ARG 14 39.152 20.133 20.328 112 HE ARG 14 HE ARG 14 38.790 21.306 22.319 113 HH11 ARG 14 HH11 ARG 14 36.939 22.785 19.725 114 HH12 ARG 14 HH12 ARG 14 36.015 23.769 20.811 115 HH21 ARG 14 HH21 ARG 14 37.565 22.607 23.668 116 HH22 ARG 14 HH22 ARG 14 36.366 23.667 23.009 117 H GLU 15 H GLU 15 39.668 23.077 15.551 118 HA GLU 15 HA GLU 15 40.500 21.027 13.793 119 HB2 GLU 15 HB2 GLU 15 39.056 23.625 13.231 120 HB3 GLU 15 HB3 GLU 15 39.226 22.299 12.079 121 HG2 GLU 15 HG2 GLU 15 38.108 20.783 13.705 122 HG3 GLU 15 HG3 GLU 15 37.874 22.148 14.788 123 H PHE 16 H PHE 16 41.461 24.432 14.088 124 HA PHE 16 HA PHE 16 42.865 24.602 11.650 125 HB2 PHE 16 HB2 PHE 16 43.145 26.109 14.242 126 HB3 PHE 16 HB3 PHE 16 44.086 26.493 12.813 127 HD1 PHE 16 HD1 PHE 16 40.763 26.575 14.370 128 HD2 PHE 16 HD2 PHE 16 43.023 27.469 10.829 129 HE1 PHE 16 HE1 PHE 16 38.896 27.977 13.532 130 HE2 PHE 16 HE2 PHE 16 41.156 28.870 9.991 131 HZ PHE 16 HZ PHE 16 39.093 29.125 11.343 132 H LEU 17 H LEU 17 44.147 24.054 14.953 133 HA LEU 17 HA LEU 17 46.832 23.807 14.135 134 HB2 LEU 17 HB2 LEU 17 46.084 24.212 16.477 135 HB3 LEU 17 HB3 LEU 17 45.530 22.539 16.556 136 HG LEU 17 HG LEU 17 47.891 21.841 15.925 137 HD11 LEU 17 HD11 LEU 17 49.611 23.651 16.533 138 HD12 LEU 17 HD12 LEU 17 48.290 24.806 16.359 139 HD13 LEU 17 HD13 LEU 17 48.793 23.829 14.980 140 HD21 LEU 17 HD21 LEU 17 47.913 23.451 18.470 141 HD22 LEU 17 HD22 LEU 17 48.584 21.848 18.167 142 HD23 LEU 17 HD23 LEU 17 46.840 22.060 18.312 143 H ALA 18 H ALA 18 44.342 21.314 14.690 144 HA ALA 18 HA ALA 18 46.057 19.115 14.285 145 HB1 ALA 18 HB1 ALA 18 44.177 17.807 14.495 146 HB2 ALA 18 HB2 ALA 18 43.190 18.881 13.502 147 HB3 ALA 18 HB3 ALA 18 43.546 19.307 15.176 148 H GLU 19 H GLU 19 44.089 21.006 12.028 149 HA GLU 19 HA GLU 19 44.387 19.342 9.785 150 HB2 GLU 19 HB2 GLU 19 42.788 21.248 9.952 151 HB3 GLU 19 HB3 GLU 19 44.150 22.360 9.815 152 HG2 GLU 19 HG2 GLU 19 43.227 22.110 7.611 153 HG3 GLU 19 HG3 GLU 19 44.747 21.222 7.641 154 H ARG 20 H ARG 20 46.407 21.998 11.015 155 HA ARG 20 HA ARG 20 48.175 22.162 8.846 156 HB2 ARG 20 HB2 ARG 20 48.045 23.786 10.728 157 HB3 ARG 20 HB3 ARG 20 48.835 22.600 11.766 158 HG2 ARG 20 HG2 ARG 20 50.764 22.556 10.183 159 HG3 ARG 20 HG3 ARG 20 49.988 23.837 9.249 160 HD2 ARG 20 HD2 ARG 20 50.782 24.028 12.168 161 HD3 ARG 20 HD3 ARG 20 51.650 24.763 10.823 162 HE ARG 20 HE ARG 20 48.988 25.626 10.693 163 HH11 ARG 20 HH11 ARG 20 51.736 26.006 12.844 164 HH12 ARG 20 HH12 ARG 20 51.210 27.557 13.404 165 HH21 ARG 20 HH21 ARG 20 48.361 27.627 11.452 166 HH22 ARG 20 HH22 ARG 20 49.323 28.463 12.625 167 H LEU 21 H LEU 21 48.525 20.261 11.868 168 HA LEU 21 HA LEU 21 51.001 19.108 11.122 169 HB2 LEU 21 HB2 LEU 21 48.903 18.175 13.086 170 HB3 LEU 21 HB3 LEU 21 50.493 17.430 12.913 171 HG LEU 21 HG LEU 21 50.102 20.382 13.462 172 HD11 LEU 21 HD11 LEU 21 49.282 18.614 15.252 173 HD12 LEU 21 HD12 LEU 21 50.242 20.007 15.752 174 HD13 LEU 21 HD13 LEU 21 51.010 18.432 15.558 175 HD21 LEU 21 HD21 LEU 21 52.541 19.865 14.379 176 HD22 LEU 21 HD22 LEU 21 52.277 20.138 12.656 177 HD23 LEU 21 HD23 LEU 21 52.432 18.494 13.276 178 H ARG 22 H ARG 22 47.664 18.051 10.597 179 HA ARG 22 HA ARG 22 48.256 15.480 9.600 180 HB2 ARG 22 HB2 ARG 22 45.987 16.280 10.279 181 HB3 ARG 22 HB3 ARG 22 45.938 17.256 8.810 182 HG2 ARG 22 HG2 ARG 22 46.166 15.262 7.426 183 HG3 ARG 22 HG3 ARG 22 46.336 14.252 8.862 184 HD2 ARG 22 HD2 ARG 22 44.049 14.070 8.140 185 HD3 ARG 22 HD3 ARG 22 44.063 15.060 9.597 186 HE ARG 22 HE ARG 22 44.273 16.818 7.455 187 HH11 ARG 22 HH11 ARG 22 41.908 14.486 8.592 188 HH12 ARG 22 HH12 ARG 22 40.576 15.350 7.900 189 HH21 ARG 22 HH21 ARG 22 42.519 17.885 6.584 190 HH22 ARG 22 HH22 ARG 22 40.919 17.251 6.778 191 H GLY 23 H GLY 23 47.958 18.617 7.964 192 HA2 GLY 23 HA2 GLY 23 48.141 17.707 5.321 193 HA3 GLY 23 HA3 GLY 23 48.613 19.309 5.874 194 H GLN 24 H GLN 24 50.663 18.288 7.719 195 HA GLN 24 HA GLN 24 52.770 17.898 5.758 196 HB2 GLN 24 HB2 GLN 24 52.855 18.289 8.748 197 HB3 GLN 24 HB3 GLN 24 54.285 18.131 7.725 198 HG2 GLN 24 HG2 GLN 24 53.591 20.080 6.411 199 HG3 GLN 24 HG3 GLN 24 52.123 20.226 7.373 200 HE21 GLN 24 HE21 GLN 24 54.104 22.323 7.184 201 HE22 GLN 24 HE22 GLN 24 54.788 22.525 8.723 202 H GLY 25 H GLY 25 50.795 15.645 7.013 203 HA2 GLY 25 HA2 GLY 25 51.099 13.357 6.553 204 HA3 GLY 25 HA3 GLY 25 52.835 13.607 6.553 205 H VAL 26 H VAL 26 51.268 14.991 9.293 206 HA VAL 26 HA VAL 26 52.218 12.750 10.951 207 HB VAL 26 HB VAL 26 51.390 15.545 11.781 208 HG11 VAL 26 HG11 VAL 26 51.217 13.719 13.513 209 HG12 VAL 26 HG12 VAL 26 52.377 14.985 13.917 210 HG13 VAL 26 HG13 VAL 26 52.945 13.434 13.301 211 HG21 VAL 26 HG21 VAL 26 53.374 15.801 10.495 212 HG22 VAL 26 HG22 VAL 26 54.070 14.310 11.127 213 HG23 VAL 26 HG23 VAL 26 53.931 15.728 12.166 214 H GLN 27 H GLN 27 50.848 11.537 12.159 215 HA GLN 27 HA GLN 27 48.002 11.746 11.666 216 HB2 GLN 27 HB2 GLN 27 49.532 9.950 13.566 217 HB3 GLN 27 HB3 GLN 27 47.840 9.765 13.111 218 HG2 GLN 27 HG2 GLN 27 48.567 9.526 10.725 219 HG3 GLN 27 HG3 GLN 27 50.241 9.550 11.276 220 HE21 GLN 27 HE21 GLN 27 51.081 7.638 12.293 221 HE22 GLN 27 HE22 GLN 27 50.184 6.203 12.416 222 H VAL 28 H VAL 28 46.515 12.708 12.995 223 HA VAL 28 HA VAL 28 47.574 13.913 15.496 224 HB VAL 28 HB VAL 28 45.623 15.222 13.591 225 HG11 VAL 28 HG11 VAL 28 46.520 17.225 15.047 226 HG12 VAL 28 HG12 VAL 28 46.934 15.953 16.193 227 HG13 VAL 28 HG13 VAL 28 45.259 16.173 15.686 228 HG21 VAL 28 HG21 VAL 28 48.563 15.858 14.016 229 HG22 VAL 28 HG22 VAL 28 47.459 16.659 12.896 230 HG23 VAL 28 HG23 VAL 28 47.933 14.983 12.619 231 H ASP 29 H ASP 29 46.443 13.607 17.262 232 HA ASP 29 HA ASP 29 43.523 13.249 17.067 233 HB2 ASP 29 HB2 ASP 29 44.596 11.011 17.371 234 HB3 ASP 29 HB3 ASP 29 45.305 11.599 18.875 235 H TYR 30 H TYR 30 42.381 14.312 18.690 236 HA TYR 30 HA TYR 30 44.035 15.839 20.623 237 HB2 TYR 30 HB2 TYR 30 42.407 17.591 20.532 238 HB3 TYR 30 HB3 TYR 30 42.926 17.208 18.905 239 HD1 TYR 30 HD1 TYR 30 40.141 17.581 21.136 240 HD2 TYR 30 HD2 TYR 30 41.407 15.716 17.477 241 HE1 TYR 30 HE1 TYR 30 37.770 17.273 20.472 242 HE2 TYR 30 HE2 TYR 30 39.035 15.410 16.813 243 HH TYR 30 HH TYR 30 36.510 15.712 18.891 244 H LEU 31 H LEU 31 43.530 15.794 22.744 245 HA LEU 31 HA LEU 31 41.437 13.879 23.562 246 HB2 LEU 31 HB2 LEU 31 43.757 13.168 24.000 247 HB3 LEU 31 HB3 LEU 31 44.008 14.619 24.964 248 HG LEU 31 HG LEU 31 41.849 13.713 26.257 249 HD11 LEU 31 HD11 LEU 31 43.033 11.280 24.914 250 HD12 LEU 31 HD12 LEU 31 41.348 11.800 24.924 251 HD13 LEU 31 HD13 LEU 31 42.088 11.181 26.401 252 HD21 LEU 31 HD21 LEU 31 44.062 14.075 27.269 253 HD22 LEU 31 HD22 LEU 31 44.631 12.551 26.587 254 HD23 LEU 31 HD23 LEU 31 43.370 12.549 27.820 255 HA PRO 32 HA PRO 32 39.749 17.644 25.639 256 HB2 PRO 32 HB2 PRO 32 38.084 15.642 27.079 257 HB3 PRO 32 HB3 PRO 32 37.593 17.104 26.203 258 HG2 PRO 32 HG2 PRO 32 37.200 14.642 25.230 259 HG3 PRO 32 HG3 PRO 32 37.520 16.041 24.194 260 HD2 PRO 32 HD2 PRO 32 39.330 13.787 24.906 261 HD3 PRO 32 HD3 PRO 32 39.283 14.781 23.436 262 H LEU 33 H LEU 33 40.447 18.587 27.491 263 HA LEU 33 HA LEU 33 42.343 17.290 29.125 264 HB2 LEU 33 HB2 LEU 33 40.830 19.846 29.703 265 HB3 LEU 33 HB3 LEU 33 42.337 19.334 30.459 266 HG LEU 33 HG LEU 33 41.970 19.864 27.495 267 HD11 LEU 33 HD11 LEU 33 42.026 21.817 29.333 268 HD12 LEU 33 HD12 LEU 33 42.847 21.975 27.784 269 HD13 LEU 33 HD13 LEU 33 43.764 21.533 29.220 270 HD21 LEU 33 HD21 LEU 33 44.369 19.124 29.186 271 HD22 LEU 33 HD22 LEU 33 44.500 19.770 27.552 272 HD23 LEU 33 HD23 LEU 33 43.699 18.224 27.823 273 H ASP 34 H ASP 34 38.926 17.179 29.339 274 HA ASP 34 HA ASP 34 38.762 17.017 32.206 275 HB2 ASP 34 HB2 ASP 34 36.762 16.358 30.043 276 HB3 ASP 34 HB3 ASP 34 36.406 16.363 31.768 277 H TYR 35 H TYR 35 39.909 14.743 29.984 278 HA TYR 35 HA TYR 35 38.591 12.417 30.980 279 HB2 TYR 35 HB2 TYR 35 40.888 12.964 29.186 280 HB3 TYR 35 HB3 TYR 35 40.822 11.372 29.922 281 HD1 TYR 35 HD1 TYR 35 38.753 9.950 29.588 282 HD2 TYR 35 HD2 TYR 35 39.473 13.558 27.370 283 HE1 TYR 35 HE1 TYR 35 37.087 9.241 27.896 284 HE2 TYR 35 HE2 TYR 35 37.806 12.845 25.678 285 HH TYR 35 HH TYR 35 35.642 10.413 26.164 286 HA PRO 36 HA PRO 36 40.660 11.921 34.768 287 HB2 PRO 36 HB2 PRO 36 40.607 9.237 35.205 288 HB3 PRO 36 HB3 PRO 36 39.152 10.254 35.253 289 HG2 PRO 36 HG2 PRO 36 40.147 8.485 33.077 290 HG3 PRO 36 HG3 PRO 36 38.492 8.738 33.660 291 HD2 PRO 36 HD2 PRO 36 39.462 9.936 31.401 292 HD3 PRO 36 HD3 PRO 36 38.191 10.653 32.412 293 H ALA 37 H ALA 37 42.577 11.475 35.809 294 HA ALA 37 HA ALA 37 44.928 11.378 34.340 295 HB1 ALA 37 HB1 ALA 37 46.040 10.862 36.503 296 HB2 ALA 37 HB2 ALA 37 44.454 10.574 37.218 297 HB3 ALA 37 HB3 ALA 37 44.878 12.183 36.632 298 H GLY 38 H GLY 38 46.557 9.777 34.129 299 HA2 GLY 38 HA2 GLY 38 47.347 7.548 34.098 300 HA3 GLY 38 HA3 GLY 38 45.713 6.986 34.432 301 H GLU 39 H GLU 39 44.394 8.536 32.357 302 HA GLU 39 HA GLU 39 44.656 6.672 30.241 303 HB2 GLU 39 HB2 GLU 39 43.309 9.377 30.311 304 HB3 GLU 39 HB3 GLU 39 43.160 8.223 28.984 305 HG2 GLU 39 HG2 GLU 39 42.314 6.527 30.609 306 HG3 GLU 39 HG3 GLU 39 42.364 7.751 31.870 307 H LEU 40 H LEU 40 46.032 9.884 30.756 308 HA LEU 40 HA LEU 40 46.891 10.394 28.126 309 HB2 LEU 40 HB2 LEU 40 46.883 12.061 29.978 310 HB3 LEU 40 HB3 LEU 40 48.249 11.216 30.705 311 HG LEU 40 HG LEU 40 49.467 11.550 28.484 312 HD11 LEU 40 HD11 LEU 40 47.081 13.375 28.087 313 HD12 LEU 40 HD12 LEU 40 47.605 12.055 27.040 314 HD13 LEU 40 HD13 LEU 40 48.578 13.521 27.166 315 HD21 LEU 40 HD21 LEU 40 49.685 12.948 30.642 316 HD22 LEU 40 HD22 LEU 40 48.693 14.149 29.816 317 HD23 LEU 40 HD23 LEU 40 50.258 13.688 29.148 318 H LEU 41 H LEU 41 48.520 8.762 30.837 319 HA LEU 41 HA LEU 41 50.994 8.389 29.518 320 HB2 LEU 41 HB2 LEU 41 50.644 8.197 31.982 321 HB3 LEU 41 HB3 LEU 41 49.785 6.683 31.708 322 HG LEU 41 HG LEU 41 51.911 5.910 30.460 323 HD11 LEU 41 HD11 LEU 41 53.981 7.046 31.173 324 HD12 LEU 41 HD12 LEU 41 53.023 8.256 32.027 325 HD13 LEU 41 HD13 LEU 41 52.939 8.145 30.269 326 HD21 LEU 41 HD21 LEU 41 51.527 4.838 32.500 327 HD22 LEU 41 HD22 LEU 41 51.621 6.339 33.420 328 HD23 LEU 41 HD23 LEU 41 53.092 5.600 32.787 329 H ALA 42 H ALA 42 48.155 6.262 29.844 330 HA ALA 42 HA ALA 42 49.324 4.005 28.631 331 HB1 ALA 42 HB1 ALA 42 47.283 3.761 29.889 332 HB2 ALA 42 HB2 ALA 42 46.948 3.294 28.221 333 HB3 ALA 42 HB3 ALA 42 46.431 4.872 28.816 334 H ARG 43 H ARG 43 47.426 6.663 27.240 335 HA ARG 43 HA ARG 43 47.284 5.638 24.611 336 HB2 ARG 43 HB2 ARG 43 45.934 7.551 25.577 337 HB3 ARG 43 HB3 ARG 43 47.372 8.557 25.413 338 HG2 ARG 43 HG2 ARG 43 46.165 8.972 23.428 339 HG3 ARG 43 HG3 ARG 43 47.382 7.792 22.940 340 HD2 ARG 43 HD2 ARG 43 45.723 5.972 23.260 341 HD3 ARG 43 HD3 ARG 43 44.513 7.172 23.697 342 HE ARG 43 HE ARG 43 45.344 6.478 21.058 343 HH11 ARG 43 HH11 ARG 43 44.267 9.222 22.965 344 HH12 ARG 43 HH12 ARG 43 43.629 10.056 21.587 345 HH21 ARG 43 HH21 ARG 43 44.506 7.597 19.323 346 HH22 ARG 43 HH22 ARG 43 43.763 9.145 19.551 347 H VAL 44 H VAL 44 49.690 7.729 26.192 348 HA VAL 44 HA VAL 44 51.170 8.332 23.878 349 HB VAL 44 HB VAL 44 52.087 8.105 26.758 350 HG11 VAL 44 HG11 VAL 44 53.975 8.057 25.124 351 HG12 VAL 44 HG12 VAL 44 53.965 9.525 26.100 352 HG13 VAL 44 HG13 VAL 44 53.384 9.569 24.436 353 HG21 VAL 44 HG21 VAL 44 51.470 10.334 27.018 354 HG22 VAL 44 HG22 VAL 44 50.194 9.764 25.946 355 HG23 VAL 44 HG23 VAL 44 51.552 10.673 25.290 356 H ARG 45 H ARG 45 51.474 5.664 26.211 357 HA ARG 45 HA ARG 45 53.799 4.545 25.033 358 HB2 ARG 45 HB2 ARG 45 53.053 4.107 27.359 359 HB3 ARG 45 HB3 ARG 45 51.695 3.180 26.726 360 HG2 ARG 45 HG2 ARG 45 53.346 1.559 27.244 361 HG3 ARG 45 HG3 ARG 45 53.457 1.755 25.498 362 HD2 ARG 45 HD2 ARG 45 55.331 3.361 25.823 363 HD3 ARG 45 HD3 ARG 45 55.238 3.083 27.559 364 HE ARG 45 HE ARG 45 55.560 0.666 26.008 365 HH11 ARG 45 HH11 ARG 45 57.283 3.285 27.588 366 HH12 ARG 45 HH12 ARG 45 58.743 2.366 27.740 367 HH21 ARG 45 HH21 ARG 45 57.467 -0.468 26.231 368 HH22 ARG 45 HH22 ARG 45 58.845 0.268 26.981 369 H ALA 46 H ALA 46 50.342 3.725 24.690 370 HA ALA 46 HA ALA 46 50.780 1.397 23.148 371 HB1 ALA 46 HB1 ALA 46 48.314 3.147 23.180 372 HB2 ALA 46 HB2 ALA 46 48.682 1.920 24.394 373 HB3 ALA 46 HB3 ALA 46 48.403 1.448 22.717 374 H GLU 47 H GLU 47 49.923 4.734 22.168 375 HA GLU 47 HA GLU 47 50.195 4.039 19.373 376 HB2 GLU 47 HB2 GLU 47 49.773 6.688 20.748 377 HB3 GLU 47 HB3 GLU 47 49.856 6.486 18.998 378 HG2 GLU 47 HG2 GLU 47 47.992 4.838 19.136 379 HG3 GLU 47 HG3 GLU 47 47.870 5.157 20.861 380 H ARG 48 H ARG 48 52.488 4.811 21.761 381 HA ARG 48 HA ARG 48 54.689 5.465 21.679 382 HB2 ARG 48 HB2 ARG 48 54.387 4.445 18.843 383 HB3 ARG 48 HB3 ARG 48 55.928 4.806 19.623 384 HG2 ARG 48 HG2 ARG 48 55.405 3.156 21.397 385 HG3 ARG 48 HG3 ARG 48 53.894 2.767 20.573 386 HD2 ARG 48 HD2 ARG 48 55.514 1.113 19.908 387 HD3 ARG 48 HD3 ARG 48 55.253 2.181 18.532 388 HE ARG 48 HE ARG 48 57.372 3.313 19.818 389 HH11 ARG 48 HH11 ARG 48 56.774 0.060 18.641 390 HH12 ARG 48 HH12 ARG 48 58.454 -0.254 18.361 391 HH21 ARG 48 HH21 ARG 48 59.520 2.850 19.437 392 HH22 ARG 48 HH22 ARG 48 59.989 1.307 18.807 393 H LEU 49 H LEU 49 53.269 7.610 21.703 394 HA LEU 49 HA LEU 49 53.170 9.217 19.375 395 HB2 LEU 49 HB2 LEU 49 53.114 10.036 22.289 396 HB3 LEU 49 HB3 LEU 49 52.714 11.091 20.936 397 HG LEU 49 HG LEU 49 51.289 8.484 21.547 398 HD11 LEU 49 HD11 LEU 49 49.502 9.829 22.449 399 HD12 LEU 49 HD12 LEU 49 50.308 11.321 21.967 400 HD13 LEU 49 HD13 LEU 49 50.985 10.330 23.260 401 HD21 LEU 49 HD21 LEU 49 51.025 10.641 19.466 402 HD22 LEU 49 HD22 LEU 49 49.586 9.763 19.988 403 HD23 LEU 49 HD23 LEU 49 50.939 8.890 19.269 404 H ASN 50 H ASN 50 54.407 10.882 18.667 405 HA ASN 50 HA ASN 50 57.228 10.793 19.404 406 HB2 ASN 50 HB2 ASN 50 55.714 12.184 17.190 407 HB3 ASN 50 HB3 ASN 50 57.452 12.345 17.435 408 HD21 ASN 50 HD21 ASN 50 58.765 10.733 16.536 409 HD22 ASN 50 HD22 ASN 50 58.173 9.299 15.853 410 H GLY 51 H GLY 51 54.483 13.053 19.375 411 HA2 GLY 51 HA2 GLY 51 56.002 14.836 21.149 412 HA3 GLY 51 HA3 GLY 51 55.493 15.502 19.607 413 H LEU 52 H LEU 52 54.805 16.558 22.051 414 HA LEU 52 HA LEU 52 51.866 16.198 22.060 415 HB2 LEU 52 HB2 LEU 52 53.597 16.943 24.434 416 HB3 LEU 52 HB3 LEU 52 51.847 16.731 24.440 417 HG LEU 52 HG LEU 52 53.843 14.553 23.752 418 HD11 LEU 52 HD11 LEU 52 53.022 13.604 25.963 419 HD12 LEU 52 HD12 LEU 52 52.296 15.179 26.280 420 HD13 LEU 52 HD13 LEU 52 54.044 15.035 26.100 421 HD21 LEU 52 HD21 LEU 52 51.796 13.107 24.043 422 HD22 LEU 52 HD22 LEU 52 51.709 14.191 22.656 423 HD23 LEU 52 HD23 LEU 52 50.835 14.583 24.138 424 H VAL 53 H VAL 53 50.663 18.104 22.001 425 HA VAL 53 HA VAL 53 52.227 20.619 21.775 426 HB VAL 53 HB VAL 53 49.690 19.892 20.289 427 HG11 VAL 53 HG11 VAL 53 49.728 22.237 20.450 428 HG12 VAL 53 HG12 VAL 53 50.546 21.936 18.916 429 HG13 VAL 53 HG13 VAL 53 51.488 22.307 20.360 430 HG21 VAL 53 HG21 VAL 53 51.802 18.624 19.600 431 HG22 VAL 53 HG22 VAL 53 52.478 20.190 19.153 432 HG23 VAL 53 HG23 VAL 53 51.039 19.586 18.335 433 H VAL 54 H VAL 54 51.686 22.190 23.159 434 HA VAL 54 HA VAL 54 48.922 22.239 24.229 435 HB VAL 54 HB VAL 54 49.911 23.478 26.208 436 HG11 VAL 54 HG11 VAL 54 49.130 21.368 26.715 437 HG12 VAL 54 HG12 VAL 54 50.828 21.213 27.165 438 HG13 VAL 54 HG13 VAL 54 50.259 20.563 25.625 439 HG21 VAL 54 HG21 VAL 54 52.200 23.374 26.689 440 HG22 VAL 54 HG22 VAL 54 52.190 23.717 24.958 441 HG23 VAL 54 HG23 VAL 54 52.486 22.075 25.530 442 H SER 55 H SER 55 47.852 24.118 24.150 443 HA SER 55 HA SER 55 49.052 26.257 22.575 444 HB2 SER 55 HB2 SER 55 46.227 25.908 23.588 445 HB3 SER 55 HB3 SER 55 46.774 27.162 22.480 446 HG SER 55 HG SER 55 47.334 25.484 21.076 447 H SER 56 H SER 56 48.330 25.627 25.932 448 HA SER 56 HA SER 56 49.124 28.332 26.637 449 HB2 SER 56 HB2 SER 56 47.100 28.941 27.782 450 HB3 SER 56 HB3 SER 56 46.676 28.496 26.133 451 HG SER 56 HG SER 56 45.335 27.369 27.414 452 H GLY 57 H GLY 57 49.194 28.660 29.004 453 HA2 GLY 57 HA2 GLY 57 50.598 26.644 30.323 454 HA3 GLY 57 HA3 GLY 57 49.833 28.015 31.119 455 H GLN 58 H GLN 58 47.126 27.382 30.342 456 HA GLN 58 HA GLN 58 46.363 25.789 32.517 457 HB2 GLN 58 HB2 GLN 58 44.892 27.411 31.305 458 HB3 GLN 58 HB3 GLN 58 44.766 26.245 29.988 459 HG2 GLN 58 HG2 GLN 58 42.854 25.853 31.345 460 HG3 GLN 58 HG3 GLN 58 43.981 24.563 31.757 461 HE21 GLN 58 HE21 GLN 58 44.256 24.275 33.968 462 HE22 GLN 58 HE22 GLN 58 44.033 25.480 35.142 463 H GLY 59 H GLY 59 46.616 24.940 29.059 464 HA2 GLY 59 HA2 GLY 59 45.815 22.258 29.283 465 HA3 GLY 59 HA3 GLY 59 46.859 22.904 28.018 466 H LEU 60 H LEU 60 49.033 23.754 29.508 467 HA LEU 60 HA LEU 60 50.566 21.424 29.667 468 HB2 LEU 60 HB2 LEU 60 51.454 23.739 29.394 469 HB3 LEU 60 HB3 LEU 60 51.095 24.041 31.094 470 HG LEU 60 HG LEU 60 52.525 22.008 31.637 471 HD11 LEU 60 HD11 LEU 60 54.274 21.672 29.700 472 HD12 LEU 60 HD12 LEU 60 52.964 22.259 28.676 473 HD13 LEU 60 HD13 LEU 60 52.738 20.805 29.648 474 HD21 LEU 60 HD21 LEU 60 54.170 24.067 30.191 475 HD22 LEU 60 HD22 LEU 60 54.454 23.322 31.764 476 HD23 LEU 60 HD23 LEU 60 53.203 24.551 31.585 477 H GLN 61 H GLN 61 48.960 23.270 32.231 478 HA GLN 61 HA GLN 61 49.944 21.782 34.418 479 HB2 GLN 61 HB2 GLN 61 47.352 23.313 34.107 480 HB3 GLN 61 HB3 GLN 61 47.961 22.683 35.636 481 HG2 GLN 61 HG2 GLN 61 49.405 24.665 33.853 482 HG3 GLN 61 HG3 GLN 61 48.559 25.063 35.346 483 HE21 GLN 61 HE21 GLN 61 51.619 24.761 34.301 484 HE22 GLN 61 HE22 GLN 61 52.357 24.087 35.673 485 H ASN 62 H ASN 62 47.000 21.395 32.457 486 HA ASN 62 HA ASN 62 45.908 19.196 33.805 487 HB2 ASN 62 HB2 ASN 62 45.822 19.963 30.884 488 HB3 ASN 62 HB3 ASN 62 44.886 18.632 31.564 489 HD21 ASN 62 HD21 ASN 62 44.731 21.923 30.864 490 HD22 ASN 62 HD22 ASN 62 43.458 22.340 31.904 491 H LEU 63 H LEU 63 48.384 19.349 31.287 492 HA LEU 63 HA LEU 63 48.623 16.623 30.702 493 HB2 LEU 63 HB2 LEU 63 49.746 18.519 29.484 494 HB3 LEU 63 HB3 LEU 63 50.885 18.631 30.822 495 HG LEU 63 HG LEU 63 51.247 16.078 30.410 496 HD11 LEU 63 HD11 LEU 63 50.183 16.968 27.713 497 HD12 LEU 63 HD12 LEU 63 49.345 15.876 28.816 498 HD13 LEU 63 HD13 LEU 63 50.877 15.392 28.088 499 HD21 LEU 63 HD21 LEU 63 52.885 16.675 28.531 500 HD22 LEU 63 HD22 LEU 63 53.041 17.604 30.022 501 HD23 LEU 63 HD23 LEU 63 52.233 18.311 28.623 502 H TYR 64 H TYR 64 50.232 18.601 33.158 503 HA TYR 64 HA TYR 64 51.958 16.619 34.162 504 HB2 TYR 64 HB2 TYR 64 52.023 19.109 34.593 505 HB3 TYR 64 HB3 TYR 64 50.715 18.871 35.736 506 HD1 TYR 64 HD1 TYR 64 51.112 17.835 37.900 507 HD2 TYR 64 HD2 TYR 64 54.276 18.233 35.018 508 HE1 TYR 64 HE1 TYR 64 52.782 17.300 39.654 509 HE2 TYR 64 HE2 TYR 64 55.934 17.704 36.763 510 HH TYR 64 HH TYR 64 55.589 17.928 39.743 511 H GLN 65 H GLN 65 48.716 17.625 35.223 512 HA GLN 65 HA GLN 65 48.568 15.938 37.476 513 HB2 GLN 65 HB2 GLN 65 46.369 17.067 35.731 514 HB3 GLN 65 HB3 GLN 65 46.104 16.282 37.288 515 HG2 GLN 65 HG2 GLN 65 47.495 17.953 38.406 516 HG3 GLN 65 HG3 GLN 65 47.862 18.714 36.860 517 HE21 GLN 65 HE21 GLN 65 46.607 20.173 38.977 518 HE22 GLN 65 HE22 GLN 65 45.025 20.556 38.497 519 H LEU 66 H LEU 66 47.524 15.432 34.120 520 HA LEU 66 HA LEU 66 46.374 12.881 34.563 521 HB2 LEU 66 HB2 LEU 66 47.484 14.096 32.022 522 HB3 LEU 66 HB3 LEU 66 46.505 12.633 32.097 523 HG LEU 66 HG LEU 66 45.604 15.345 33.116 524 HD11 LEU 66 HD11 LEU 66 44.000 15.002 31.060 525 HD12 LEU 66 HD12 LEU 66 45.279 13.937 30.478 526 HD13 LEU 66 HD13 LEU 66 45.624 15.637 30.792 527 HD21 LEU 66 HD21 LEU 66 43.348 14.141 32.981 528 HD22 LEU 66 HD22 LEU 66 44.427 13.610 34.270 529 HD23 LEU 66 HD23 LEU 66 44.268 12.645 32.802 530 H ALA 67 H ALA 67 49.651 13.895 33.723 531 HA ALA 67 HA ALA 67 50.737 11.384 33.120 532 HB1 ALA 67 HB1 ALA 67 52.000 13.806 34.424 533 HB2 ALA 67 HB2 ALA 67 51.985 13.418 32.703 534 HB3 ALA 67 HB3 ALA 67 52.901 12.414 33.827 535 H ALA 68 H ALA 68 50.292 13.027 36.236 536 HA ALA 68 HA ALA 68 50.177 12.183 38.366 537 HB1 ALA 68 HB1 ALA 68 48.896 10.295 38.551 538 HB2 ALA 68 HB2 ALA 68 49.894 9.379 37.424 539 HB3 ALA 68 HB3 ALA 68 48.701 10.525 36.812 540 H ALA 69 H ALA 69 51.216 9.225 38.846 541 HA ALA 69 HA ALA 69 53.712 10.047 39.838 542 HB1 ALA 69 HB1 ALA 69 52.237 8.060 40.539 543 HB2 ALA 69 HB2 ALA 69 53.986 7.833 40.557 544 HB3 ALA 69 HB3 ALA 69 53.027 7.185 39.226 545 H ASP 70 H ASP 70 52.857 9.097 36.615 546 HA ASP 70 HA ASP 70 55.545 8.087 36.030 547 HB2 ASP 70 HB2 ASP 70 53.050 8.251 34.337 548 HB3 ASP 70 HB3 ASP 70 54.582 7.556 33.807 549 H TRP 71 H TRP 71 54.541 11.136 36.340 550 HA TRP 71 HA TRP 71 54.987 12.494 34.009 551 HB2 TRP 71 HB2 TRP 71 54.301 13.674 35.930 552 HB3 TRP 71 HB3 TRP 71 55.711 13.190 36.839 553 HD1 TRP 71 HD1 TRP 71 57.443 14.995 37.087 554 HE1 TRP 71 HE1 TRP 71 58.092 17.132 35.804 555 HE3 TRP 71 HE3 TRP 71 54.244 14.670 33.114 556 HZ2 TRP 71 HZ2 TRP 71 57.387 18.507 33.407 557 HZ3 TRP 71 HZ3 TRP 71 54.264 16.402 31.345 558 HH2 TRP 71 HH2 TRP 71 55.832 18.320 31.485 559 HA PRO 72 HA PRO 72 59.894 12.369 34.899 560 HB2 PRO 72 HB2 PRO 72 59.768 9.452 35.576 561 HB3 PRO 72 HB3 PRO 72 60.957 10.674 36.070 562 HG2 PRO 72 HG2 PRO 72 59.043 9.852 37.723 563 HG3 PRO 72 HG3 PRO 72 59.605 11.534 37.705 564 HD2 PRO 72 HD2 PRO 72 57.035 10.418 36.755 565 HD3 PRO 72 HD3 PRO 72 57.427 12.071 37.271 566 H GLU 73 H GLU 73 57.924 9.612 33.725 567 HA GLU 73 HA GLU 73 59.771 9.038 31.575 568 HB2 GLU 73 HB2 GLU 73 56.963 8.050 32.124 569 HB3 GLU 73 HB3 GLU 73 58.019 7.435 30.852 570 HG2 GLU 73 HG2 GLU 73 58.661 7.412 33.814 571 HG3 GLU 73 HG3 GLU 73 58.110 6.022 32.886 572 H ILE 74 H ILE 74 56.517 10.449 31.835 573 HA ILE 74 HA ILE 74 56.088 10.839 29.086 574 HB ILE 74 HB ILE 74 54.973 12.345 31.467 575 HG12 ILE 74 HG12 ILE 74 53.787 10.088 29.831 576 HG13 ILE 74 HG13 ILE 74 54.660 9.832 31.338 577 HG21 ILE 74 HG21 ILE 74 53.177 13.055 30.008 578 HG22 ILE 74 HG22 ILE 74 53.834 12.123 28.662 579 HG23 ILE 74 HG23 ILE 74 54.696 13.542 29.259 580 HD11 ILE 74 HD11 ILE 74 52.454 11.841 31.394 581 HD12 ILE 74 HD12 ILE 74 52.969 10.692 32.627 582 HD13 ILE 74 HD13 ILE 74 51.996 10.145 31.264 583 H GLY 75 H GLY 75 57.683 12.868 31.479 584 HA2 GLY 75 HA2 GLY 75 57.770 15.282 30.050 585 HA3 GLY 75 HA3 GLY 75 58.877 14.814 31.331 586 H ARG 76 H ARG 76 59.478 12.361 29.449 587 HA ARG 76 HA ARG 76 61.889 13.391 28.375 588 HB2 ARG 76 HB2 ARG 76 60.412 10.810 27.824 589 HB3 ARG 76 HB3 ARG 76 62.074 11.149 27.331 590 HG2 ARG 76 HG2 ARG 76 62.645 11.579 29.724 591 HG3 ARG 76 HG3 ARG 76 61.016 11.085 30.171 592 HD2 ARG 76 HD2 ARG 76 63.095 9.370 28.789 593 HD3 ARG 76 HD3 ARG 76 62.553 9.221 30.455 594 HE ARG 76 HE ARG 76 60.538 8.282 29.698 595 HH11 ARG 76 HH11 ARG 76 62.490 9.286 26.951 596 HH12 ARG 76 HH12 ARG 76 61.548 8.366 25.829 597 HH21 ARG 76 HH21 ARG 76 59.368 7.127 28.199 598 HH22 ARG 76 HH22 ARG 76 59.805 7.163 26.523 599 H LEU 77 H LEU 77 58.662 13.075 27.040 600 HA LEU 77 HA LEU 77 59.494 12.983 24.307 601 HB2 LEU 77 HB2 LEU 77 56.807 13.517 25.583 602 HB3 LEU 77 HB3 LEU 77 57.058 13.369 23.843 603 HG LEU 77 HG LEU 77 58.060 11.218 25.690 604 HD11 LEU 77 HD11 LEU 77 55.549 11.810 26.048 605 HD12 LEU 77 HD12 LEU 77 55.976 10.126 25.746 606 HD13 LEU 77 HD13 LEU 77 55.318 11.117 24.444 607 HD21 LEU 77 HD21 LEU 77 57.042 11.257 22.830 608 HD22 LEU 77 HD22 LEU 77 57.684 9.843 23.667 609 HD23 LEU 77 HD23 LEU 77 58.737 11.213 23.316 610 HA PRO 78 HA PRO 78 59.993 17.359 23.543 611 HB2 PRO 78 HB2 PRO 78 58.978 17.579 20.976 612 HB3 PRO 78 HB3 PRO 78 60.606 16.992 21.363 613 HG2 PRO 78 HG2 PRO 78 58.145 15.452 20.724 614 HG3 PRO 78 HG3 PRO 78 59.823 15.164 20.224 615 HD2 PRO 78 HD2 PRO 78 58.686 13.726 22.209 616 HD3 PRO 78 HD3 PRO 78 60.407 14.165 22.240 617 H LEU 79 H LEU 79 58.753 18.934 24.392 618 HA LEU 79 HA LEU 79 55.841 18.909 23.879 619 HB2 LEU 79 HB2 LEU 79 56.625 18.949 26.251 620 HB3 LEU 79 HB3 LEU 79 57.395 20.504 25.929 621 HG LEU 79 HG LEU 79 55.120 21.337 25.150 622 HD11 LEU 79 HD11 LEU 79 53.880 19.378 24.736 623 HD12 LEU 79 HD12 LEU 79 53.232 19.945 26.275 624 HD13 LEU 79 HD13 LEU 79 54.398 18.623 26.243 625 HD21 LEU 79 HD21 LEU 79 54.546 21.997 27.320 626 HD22 LEU 79 HD22 LEU 79 56.238 21.545 27.522 627 HD23 LEU 79 HD23 LEU 79 54.963 20.430 28.013 628 H PHE 80 H PHE 80 55.051 20.299 22.437 629 HA PHE 80 HA PHE 80 56.671 22.532 21.458 630 HB2 PHE 80 HB2 PHE 80 53.940 21.508 20.662 631 HB3 PHE 80 HB3 PHE 80 54.745 22.863 19.908 632 HD1 PHE 80 HD1 PHE 80 54.190 19.354 19.854 633 HD2 PHE 80 HD2 PHE 80 57.070 22.363 18.803 634 HE1 PHE 80 HE1 PHE 80 55.214 17.800 18.218 635 HE2 PHE 80 HE2 PHE 80 58.099 20.803 17.168 636 HZ PHE 80 HZ PHE 80 57.157 18.528 16.865 637 H VAL 81 H VAL 81 56.429 24.556 22.266 638 HA VAL 81 HA VAL 81 53.826 25.278 23.486 639 HB VAL 81 HB VAL 81 55.031 26.818 24.955 640 HG11 VAL 81 HG11 VAL 81 54.639 24.383 25.544 641 HG12 VAL 81 HG12 VAL 81 55.958 25.158 26.421 642 HG13 VAL 81 HG13 VAL 81 56.311 24.077 25.073 643 HG21 VAL 81 HG21 VAL 81 57.650 26.273 24.982 644 HG22 VAL 81 HG22 VAL 81 56.985 27.524 23.935 645 HG23 VAL 81 HG23 VAL 81 57.350 25.931 23.280 646 HA PRO 82 HA PRO 82 53.739 28.278 20.269 647 HB2 PRO 82 HB2 PRO 82 51.820 29.977 21.110 648 HB3 PRO 82 HB3 PRO 82 51.460 28.301 20.645 649 HG2 PRO 82 HG2 PRO 82 51.680 29.508 23.342 650 HG3 PRO 82 HG3 PRO 82 50.606 28.227 22.756 651 HD2 PRO 82 HD2 PRO 82 52.952 27.818 24.219 652 HD3 PRO 82 HD3 PRO 82 52.105 26.585 23.265 653 H SER 83 H SER 83 54.614 29.327 23.468 654 HA SER 83 HA SER 83 55.677 31.855 22.397 655 HB2 SER 83 HB2 SER 83 54.552 33.193 24.027 656 HB3 SER 83 HB3 SER 83 53.321 32.162 23.308 657 HG SER 83 HG SER 83 53.328 32.174 25.606 658 HA PRO 84 HA PRO 84 59.113 31.065 25.066 659 HB2 PRO 84 HB2 PRO 84 59.493 33.565 26.274 660 HB3 PRO 84 HB3 PRO 84 60.164 33.050 24.718 661 HG2 PRO 84 HG2 PRO 84 57.776 34.710 25.286 662 HG3 PRO 84 HG3 PRO 84 58.954 34.828 23.965 663 HD2 PRO 84 HD2 PRO 84 56.504 33.784 23.556 664 HD3 PRO 84 HD3 PRO 84 57.934 33.151 22.711 665 H ARG 85 H ARG 85 56.549 33.030 26.625 666 HA ARG 85 HA ARG 85 57.272 32.388 29.270 667 HB2 ARG 85 HB2 ARG 85 55.078 33.204 29.921 668 HB3 ARG 85 HB3 ARG 85 55.778 34.262 28.698 669 HG2 ARG 85 HG2 ARG 85 54.463 33.004 26.965 670 HG3 ARG 85 HG3 ARG 85 53.652 32.143 28.275 671 HD2 ARG 85 HD2 ARG 85 52.944 34.349 29.215 672 HD3 ARG 85 HD3 ARG 85 53.645 35.136 27.804 673 HE ARG 85 HE ARG 85 51.965 33.326 26.692 674 HH11 ARG 85 HH11 ARG 85 51.456 35.730 29.201 675 HH12 ARG 85 HH12 ARG 85 49.784 35.938 28.800 676 HH21 ARG 85 HH21 ARG 85 49.808 33.639 26.222 677 HH22 ARG 85 HH22 ARG 85 48.864 34.769 27.135 678 H VAL 86 H VAL 86 54.935 30.806 27.074 679 HA VAL 86 HA VAL 86 54.062 28.833 28.873 680 HB VAL 86 HB VAL 86 54.402 28.630 25.867 681 HG11 VAL 86 HG11 VAL 86 52.752 27.011 27.833 682 HG12 VAL 86 HG12 VAL 86 54.095 26.421 26.855 683 HG13 VAL 86 HG13 VAL 86 52.589 26.914 26.080 684 HG21 VAL 86 HG21 VAL 86 52.930 30.509 26.932 685 HG22 VAL 86 HG22 VAL 86 51.844 29.189 27.358 686 HG23 VAL 86 HG23 VAL 86 52.226 29.505 25.666 687 H ALA 87 H ALA 87 56.874 28.934 26.712 688 HA ALA 87 HA ALA 87 57.820 26.331 27.091 689 HB1 ALA 87 HB1 ALA 87 58.653 28.313 25.561 690 HB2 ALA 87 HB2 ALA 87 59.778 27.063 26.090 691 HB3 ALA 87 HB3 ALA 87 59.741 28.621 26.915 692 H GLU 88 H GLU 88 58.365 29.274 28.991 693 HA GLU 88 HA GLU 88 60.228 28.222 30.813 694 HB2 GLU 88 HB2 GLU 88 58.145 30.382 31.212 695 HB3 GLU 88 HB3 GLU 88 59.480 30.056 32.318 696 HG2 GLU 88 HG2 GLU 88 59.775 30.800 29.395 697 HG3 GLU 88 HG3 GLU 88 60.015 31.899 30.748 698 H MET 89 H MET 89 56.680 28.237 30.865 699 HA MET 89 HA MET 89 56.286 27.175 33.430 700 HB2 MET 89 HB2 MET 89 54.675 26.740 30.898 701 HB3 MET 89 HB3 MET 89 54.112 26.362 32.523 702 HG2 MET 89 HG2 MET 89 54.937 29.116 31.554 703 HG3 MET 89 HG3 MET 89 53.276 28.564 31.750 704 HE1 MET 89 HE1 MET 89 52.616 28.184 35.351 705 HE2 MET 89 HE2 MET 89 53.524 26.832 34.677 706 HE3 MET 89 HE3 MET 89 52.321 27.658 33.689 707 H ALA 90 H ALA 90 56.737 25.550 30.315 708 HA ALA 90 HA ALA 90 56.444 22.905 31.232 709 HB1 ALA 90 HB1 ALA 90 57.376 22.229 29.157 710 HB2 ALA 90 HB2 ALA 90 58.281 23.733 28.986 711 HB3 ALA 90 HB3 ALA 90 56.525 23.737 28.819 712 H ARG 91 H ARG 91 59.298 24.992 31.012 713 HA ARG 91 HA ARG 91 61.225 23.063 31.700 714 HB2 ARG 91 HB2 ARG 91 61.735 25.319 30.772 715 HB3 ARG 91 HB3 ARG 91 61.291 26.024 32.326 716 HG2 ARG 91 HG2 ARG 91 63.038 24.647 33.429 717 HG3 ARG 91 HG3 ARG 91 63.510 24.013 31.852 718 HD2 ARG 91 HD2 ARG 91 63.970 26.348 31.097 719 HD3 ARG 91 HD3 ARG 91 63.611 26.912 32.727 720 HE ARG 91 HE ARG 91 65.515 25.055 33.180 721 HH11 ARG 91 HH11 ARG 91 65.416 27.724 30.902 722 HH12 ARG 91 HH12 ARG 91 67.136 27.930 30.916 723 HH21 ARG 91 HH21 ARG 91 67.723 25.369 33.158 724 HH22 ARG 91 HH22 ARG 91 68.425 26.613 32.178 725 H GLU 92 H GLU 92 59.302 25.257 33.735 726 HA GLU 92 HA GLU 92 60.589 24.694 36.169 727 HB2 GLU 92 HB2 GLU 92 57.733 25.527 35.628 728 HB3 GLU 92 HB3 GLU 92 58.482 25.511 37.225 729 HG2 GLU 92 HG2 GLU 92 59.488 27.091 34.844 730 HG3 GLU 92 HG3 GLU 92 58.571 27.761 36.187 731 H LEU 93 H LEU 93 57.911 23.047 34.536 732 HA LEU 93 HA LEU 93 57.319 21.242 36.636 733 HB2 LEU 93 HB2 LEU 93 56.987 20.808 33.662 734 HB3 LEU 93 HB3 LEU 93 56.229 19.859 34.933 735 HG LEU 93 HG LEU 93 55.775 22.812 34.401 736 HD11 LEU 93 HD11 LEU 93 53.432 21.920 33.943 737 HD12 LEU 93 HD12 LEU 93 54.139 20.304 33.965 738 HD13 LEU 93 HD13 LEU 93 54.655 21.477 32.751 739 HD21 LEU 93 HD21 LEU 93 55.520 22.491 36.764 740 HD22 LEU 93 HD22 LEU 93 54.731 20.930 36.536 741 HD23 LEU 93 HD23 LEU 93 53.888 22.416 36.097 742 H GLY 94 H GLY 94 59.990 21.299 34.410 743 HA2 GLY 94 HA2 GLY 94 61.890 19.880 34.850 744 HA3 GLY 94 HA3 GLY 94 60.786 18.613 35.352 745 H ALA 95 H ALA 95 59.799 20.270 32.459 746 HA ALA 95 HA ALA 95 59.806 17.912 30.932 747 HB1 ALA 95 HB1 ALA 95 59.291 19.325 29.037 748 HB2 ALA 95 HB2 ALA 95 59.914 20.748 29.875 749 HB3 ALA 95 HB3 ALA 95 58.444 19.959 30.447 750 H GLN 96 H GLN 96 61.372 16.863 29.901 751 HA GLN 96 HA GLN 96 64.079 17.681 30.343 752 HB2 GLN 96 HB2 GLN 96 62.938 15.362 28.766 753 HB3 GLN 96 HB3 GLN 96 64.640 15.564 29.196 754 HG2 GLN 96 HG2 GLN 96 64.016 15.612 31.594 755 HG3 GLN 96 HG3 GLN 96 62.331 15.355 31.150 756 HE21 GLN 96 HE21 GLN 96 62.428 13.308 32.416 757 HE22 GLN 96 HE22 GLN 96 63.148 11.933 31.739 758 H ARG 97 H ARG 97 61.924 17.610 27.542 759 HA ARG 97 HA ARG 97 63.936 19.194 26.058 760 HB2 ARG 97 HB2 ARG 97 63.836 16.861 25.204 761 HB3 ARG 97 HB3 ARG 97 62.119 17.086 24.867 762 HG2 ARG 97 HG2 ARG 97 62.701 19.019 23.399 763 HG3 ARG 97 HG3 ARG 97 64.408 18.669 23.664 764 HD2 ARG 97 HD2 ARG 97 62.395 16.763 22.437 765 HD3 ARG 97 HD3 ARG 97 63.604 17.680 21.550 766 HE ARG 97 HE ARG 97 65.275 16.263 22.402 767 HH11 ARG 97 HH11 ARG 97 62.168 15.434 23.826 768 HH12 ARG 97 HH12 ARG 97 62.728 13.891 24.375 769 HH21 ARG 97 HH21 ARG 97 65.930 14.269 23.143 770 HH22 ARG 97 HH22 ARG 97 64.826 13.243 23.998 771 H VAL 98 H VAL 98 63.121 21.176 25.921 772 HA VAL 98 HA VAL 98 60.215 21.503 25.436 773 HB VAL 98 HB VAL 98 62.183 23.491 26.604 774 HG11 VAL 98 HG11 VAL 98 59.156 23.565 26.401 775 HG12 VAL 98 HG12 VAL 98 60.255 24.481 25.369 776 HG13 VAL 98 HG13 VAL 98 60.187 24.814 27.099 777 HG21 VAL 98 HG21 VAL 98 60.913 23.072 28.718 778 HG22 VAL 98 HG22 VAL 98 61.783 21.643 28.161 779 HG23 VAL 98 HG23 VAL 98 60.043 21.771 27.905 780 H ILE 99 H ILE 99 59.566 22.428 23.600 781 HA ILE 99 HA ILE 99 61.625 23.516 21.772 782 HB ILE 99 HB ILE 99 59.163 21.864 21.138 783 HG12 ILE 99 HG12 ILE 99 62.083 21.184 20.717 784 HG13 ILE 99 HG13 ILE 99 61.184 20.693 22.151 785 HG21 ILE 99 HG21 ILE 99 60.474 21.876 18.819 786 HG22 ILE 99 HG22 ILE 99 61.073 23.416 19.435 787 HG23 ILE 99 HG23 ILE 99 59.339 23.159 19.236 788 HD11 ILE 99 HD11 ILE 99 59.506 19.585 20.645 789 HD12 ILE 99 HD12 ILE 99 61.115 18.868 20.559 790 HD13 ILE 99 HD13 ILE 99 60.562 19.950 19.280 791 H ASP 100 H ASP 100 61.324 25.609 21.339 792 HA ASP 100 HA ASP 100 58.667 26.799 21.710 793 HB2 ASP 100 HB2 ASP 100 60.660 27.897 22.726 794 HB3 ASP 100 HB3 ASP 100 61.309 28.147 21.106 795 H CYS 101 H CYS 101 57.353 26.911 20.001 796 HA CYS 101 HA CYS 101 58.512 26.789 17.305 797 HB2 CYS 101 HB2 CYS 101 56.232 26.253 16.570 798 HB3 CYS 101 HB3 CYS 101 56.776 25.159 17.843 799 HG CYS 101 HG CYS 101 55.107 27.608 18.749 800 H ARG 102 H ARG 102 57.673 29.273 19.331 801 HA ARG 102 HA ARG 102 55.989 30.932 17.848 802 HB2 ARG 102 HB2 ARG 102 56.756 31.372 20.179 803 HB3 ARG 102 HB3 ARG 102 58.341 31.808 19.540 804 HG2 ARG 102 HG2 ARG 102 57.280 33.576 18.159 805 HG3 ARG 102 HG3 ARG 102 55.715 33.169 18.866 806 HD2 ARG 102 HD2 ARG 102 56.655 33.663 21.126 807 HD3 ARG 102 HD3 ARG 102 58.152 34.183 20.356 808 HE ARG 102 HE ARG 102 55.950 35.569 19.224 809 HH11 ARG 102 HH11 ARG 102 57.853 35.484 22.174 810 HH12 ARG 102 HH12 ARG 102 57.537 37.146 22.544 811 HH21 ARG 102 HH21 ARG 102 55.578 37.703 19.753 812 HH22 ARG 102 HH22 ARG 102 56.265 38.386 21.189 813 H GLY 103 H GLY 103 59.496 30.465 17.620 814 HA2 GLY 103 HA2 GLY 103 59.619 32.319 15.345 815 HA3 GLY 103 HA3 GLY 103 60.998 31.624 16.190 816 H ALA 104 H ALA 104 60.019 28.892 16.130 817 HA ALA 104 HA ALA 104 61.016 28.106 13.577 818 HB1 ALA 104 HB1 ALA 104 59.453 26.294 15.397 819 HB2 ALA 104 HB2 ALA 104 61.078 26.823 15.831 820 HB3 ALA 104 HB3 ALA 104 60.817 25.903 14.350 821 H SER 105 H SER 105 59.958 27.287 11.803 822 HA SER 105 HA SER 105 57.139 28.013 11.562 823 HB2 SER 105 HB2 SER 105 59.127 26.996 9.515 824 HB3 SER 105 HB3 SER 105 57.475 27.490 9.162 825 HG SER 105 HG SER 105 59.647 29.007 9.902 826 H ALA 106 H ALA 106 55.616 26.496 10.541 827 HA ALA 106 HA ALA 106 55.280 24.143 11.905 828 HB1 ALA 106 HB1 ALA 106 53.652 25.381 10.351 829 HB2 ALA 106 HB2 ALA 106 53.539 23.624 10.446 830 HB3 ALA 106 HB3 ALA 106 54.330 24.384 9.067 831 HA PRO 107 HA PRO 107 57.216 21.478 8.362 832 HB2 PRO 107 HB2 PRO 107 59.305 22.763 7.009 833 HB3 PRO 107 HB3 PRO 107 57.692 22.432 6.353 834 HG2 PRO 107 HG2 PRO 107 58.791 24.932 7.491 835 HG3 PRO 107 HG3 PRO 107 57.632 24.696 6.170 836 HD2 PRO 107 HD2 PRO 107 56.848 25.521 8.599 837 HD3 PRO 107 HD3 PRO 107 55.822 24.475 7.600 838 H ALA 108 H ALA 108 59.135 24.016 9.917 839 HA ALA 108 HA ALA 108 61.451 22.506 10.454 840 HB1 ALA 108 HB1 ALA 108 60.436 24.531 12.419 841 HB2 ALA 108 HB2 ALA 108 60.924 25.059 10.807 842 HB3 ALA 108 HB3 ALA 108 62.084 24.246 11.858 843 H LEU 109 H LEU 109 58.447 22.928 12.295 844 HA LEU 109 HA LEU 109 59.157 21.449 14.571 845 HB2 LEU 109 HB2 LEU 109 56.421 21.668 13.290 846 HB3 LEU 109 HB3 LEU 109 56.755 21.208 14.958 847 HG LEU 109 HG LEU 109 57.491 23.875 13.715 848 HD11 LEU 109 HD11 LEU 109 55.045 23.560 14.002 849 HD12 LEU 109 HD12 LEU 109 55.682 24.781 15.104 850 HD13 LEU 109 HD13 LEU 109 55.311 23.163 15.700 851 HD21 LEU 109 HD21 LEU 109 57.709 22.758 16.526 852 HD22 LEU 109 HD22 LEU 109 57.854 24.476 16.152 853 HD23 LEU 109 HD23 LEU 109 59.023 23.330 15.499 854 H LEU 110 H LEU 110 57.760 20.412 11.482 855 HA LEU 110 HA LEU 110 57.299 17.714 12.089 856 HB2 LEU 110 HB2 LEU 110 56.564 18.842 9.999 857 HB3 LEU 110 HB3 LEU 110 58.238 18.869 9.448 858 HG LEU 110 HG LEU 110 58.267 16.351 9.715 859 HD11 LEU 110 HD11 LEU 110 55.349 16.920 10.247 860 HD12 LEU 110 HD12 LEU 110 56.462 15.932 11.196 861 HD13 LEU 110 HD13 LEU 110 55.890 15.358 9.629 862 HD21 LEU 110 HD21 LEU 110 56.713 16.016 7.674 863 HD22 LEU 110 HD22 LEU 110 58.056 17.145 7.492 864 HD23 LEU 110 HD23 LEU 110 56.425 17.754 7.777 865 H ALA 111 H ALA 111 60.206 19.330 10.866 866 HA ALA 111 HA ALA 111 61.841 17.056 10.618 867 HB1 ALA 111 HB1 ALA 111 62.494 19.954 11.168 868 HB2 ALA 111 HB2 ALA 111 62.593 19.093 9.631 869 HB3 ALA 111 HB3 ALA 111 63.735 18.725 10.924 870 H ALA 112 H ALA 112 61.223 19.189 13.377 871 HA ALA 112 HA ALA 112 63.139 18.138 15.137 872 HB1 ALA 112 HB1 ALA 112 61.811 20.226 15.515 873 HB2 ALA 112 HB2 ALA 112 61.837 19.148 16.911 874 HB3 ALA 112 HB3 ALA 112 60.408 19.219 15.879 875 H LEU 113 H LEU 113 59.820 17.112 14.453 876 HA LEU 113 HA LEU 113 59.527 15.217 16.501 877 HB2 LEU 113 HB2 LEU 113 58.317 15.656 13.805 878 HB3 LEU 113 HB3 LEU 113 58.037 14.096 14.571 879 HG LEU 113 HG LEU 113 57.623 16.600 16.179 880 HD11 LEU 113 HD11 LEU 113 56.415 16.897 13.991 881 HD12 LEU 113 HD12 LEU 113 55.338 16.800 15.383 882 HD13 LEU 113 HD13 LEU 113 55.541 15.403 14.327 883 HD21 LEU 113 HD21 LEU 113 57.480 14.445 17.311 884 HD22 LEU 113 HD22 LEU 113 56.365 13.843 16.086 885 HD23 LEU 113 HD23 LEU 113 55.856 15.125 17.186 886 H THR 114 H THR 114 60.648 14.799 13.160 887 HA THR 114 HA THR 114 61.077 12.012 13.378 888 HB THR 114 HB THR 114 62.339 12.235 11.282 889 HG1 THR 114 HG1 THR 114 63.379 14.043 11.224 890 HG21 THR 114 HG21 THR 114 59.733 12.514 11.551 891 HG22 THR 114 HG22 THR 114 60.496 12.845 9.995 892 HG23 THR 114 HG23 THR 114 60.063 14.178 11.065 893 H SER 115 H SER 115 63.269 14.763 13.854 894 HA SER 115 HA SER 115 65.648 13.290 14.124 895 HB2 SER 115 HB2 SER 115 65.501 15.769 13.845 896 HB3 SER 115 HB3 SER 115 64.945 15.882 15.512 897 HG SER 115 HG SER 115 67.006 15.882 15.885 898 H ALA 116 H ALA 116 63.295 14.343 16.581 899 HA ALA 116 HA ALA 116 64.706 13.440 18.832 900 HB1 ALA 116 HB1 ALA 116 61.716 13.681 18.423 901 HB2 ALA 116 HB2 ALA 116 62.790 14.957 18.997 902 HB3 ALA 116 HB3 ALA 116 62.523 13.518 19.982 903 H ALA 117 H ALA 117 62.381 11.783 16.728 904 HA ALA 117 HA ALA 117 62.101 9.418 18.198 905 HB1 ALA 117 HB1 ALA 117 60.607 9.581 16.432 906 HB2 ALA 117 HB2 ALA 117 61.775 8.427 15.789 907 HB3 ALA 117 HB3 ALA 117 61.845 10.119 15.299 908 H LEU 118 H LEU 118 64.609 10.420 15.918 909 HA LEU 118 HA LEU 118 65.896 7.931 15.619 910 HB2 LEU 118 HB2 LEU 118 67.053 10.726 15.520 911 HB3 LEU 118 HB3 LEU 118 67.880 9.272 14.964 912 HG LEU 118 HG LEU 118 65.192 10.185 13.908 913 HD11 LEU 118 HD11 LEU 118 66.942 11.816 13.330 914 HD12 LEU 118 HD12 LEU 118 66.462 10.898 11.902 915 HD13 LEU 118 HD13 LEU 118 67.970 10.512 12.731 916 HD21 LEU 118 HD21 LEU 118 65.380 7.883 13.474 917 HD22 LEU 118 HD22 LEU 118 67.127 7.971 13.257 918 HD23 LEU 118 HD23 LEU 118 66.052 8.602 12.010 919 H GLU 119 H GLU 119 66.216 10.441 18.092 920 HA GLU 119 HA GLU 119 68.552 9.515 19.334 921 HB2 GLU 119 HB2 GLU 119 67.417 11.692 19.807 922 HB3 GLU 119 HB3 GLU 119 66.183 10.805 20.703 923 HG2 GLU 119 HG2 GLU 119 67.964 9.865 22.167 924 HG3 GLU 119 HG3 GLU 119 69.152 10.840 21.312 925 H HIS 120 H HIS 120 65.171 8.561 19.780 926 HA HIS 120 HA HIS 120 65.457 6.914 22.017 927 HB2 HIS 120 HB2 HIS 120 63.607 6.680 19.647 928 HB3 HIS 120 HB3 HIS 120 63.466 5.702 21.095 929 HD1 HIS 120 HD1 HIS 120 63.097 9.246 19.862 930 HD2 HIS 120 HD2 HIS 120 62.279 7.020 23.291 931 HE1 HIS 120 HE1 HIS 120 61.668 10.717 21.345 932 H HIS 121 H HIS 121 66.130 6.263 18.613 933 HA HIS 121 HA HIS 121 66.320 3.482 18.677 934 HB2 HIS 121 HB2 HIS 121 66.406 4.873 16.631 935 HB3 HIS 121 HB3 HIS 121 68.017 5.401 17.078 936 HD1 HIS 121 HD1 HIS 121 69.958 3.784 16.641 937 HD2 HIS 121 HD2 HIS 121 66.232 2.149 15.734 938 HE1 HIS 121 HE1 HIS 121 70.408 1.634 15.382 939 H HIS 122 H HIS 122 68.738 5.937 19.521 940 HA HIS 122 HA HIS 122 70.539 3.779 20.457 941 HB2 HIS 122 HB2 HIS 122 71.134 6.651 19.740 942 HB3 HIS 122 HB3 HIS 122 72.306 5.508 20.366 943 HD1 HIS 122 HD1 HIS 122 72.634 3.292 18.768 944 HD2 HIS 122 HD2 HIS 122 70.949 6.666 16.992 945 HE1 HIS 122 HE1 HIS 122 72.875 2.980 16.267 946 H HIS 123 H HIS 123 70.825 3.536 22.571 947 HA HIS 123 HA HIS 123 69.416 4.971 24.518 948 HB2 HIS 123 HB2 HIS 123 71.931 3.323 24.782 949 HB3 HIS 123 HB3 HIS 123 70.968 3.888 26.133 950 HD1 HIS 123 HD1 HIS 123 71.036 1.359 23.383 951 HD2 HIS 123 HD2 HIS 123 68.487 2.497 26.480 952 HE1 HIS 123 HE1 HIS 123 69.300 -0.472 23.590 953 H HIS 124 H HIS 124 72.722 5.356 23.317 954 HA HIS 124 HA HIS 124 72.972 7.836 24.923 955 HB2 HIS 124 HB2 HIS 124 75.137 6.005 23.880 956 HB3 HIS 124 HB3 HIS 124 75.405 7.499 24.758 957 HD1 HIS 124 HD1 HIS 124 74.254 7.482 27.279 958 HD2 HIS 124 HD2 HIS 124 75.013 3.789 25.501 959 HE1 HIS 124 HE1 HIS 124 74.233 5.773 29.146 960 H HIS 125 H HIS 125 73.520 9.704 23.904 961 HA HIS 125 HA HIS 125 73.396 9.686 20.981 962 HB2 HIS 125 HB2 HIS 125 71.998 11.267 22.256 963 HB3 HIS 125 HB3 HIS 125 73.443 11.986 22.940 964 HD1 HIS 125 HD1 HIS 125 74.752 13.636 21.481 965 HD2 HIS 125 HD2 HIS 125 71.547 11.874 19.480 966 HE1 HIS 125 HE1 HIS 125 74.469 14.917 19.317 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 57.581 8.517 6.393 2 H2 MET 1 HT2 MET 1 56.601 7.266 6.992 3 H3 MET 1 HT3 MET 1 58.288 7.077 6.945 4 HA MET 1 HA MET 1 57.604 7.530 9.192 5 HB2 MET 1 HB2 MET 1 58.967 9.860 7.813 6 HB3 MET 1 HB3 MET 1 58.963 9.595 9.557 7 HG2 MET 1 HG2 MET 1 59.985 7.332 9.146 8 HG3 MET 1 HG3 MET 1 60.143 7.769 7.446 9 HE1 MET 1 HE1 MET 1 62.513 10.705 7.348 10 HE2 MET 1 HE2 MET 1 60.849 11.049 7.817 11 HE3 MET 1 HE3 MET 1 61.180 9.810 6.609 12 H ASP 2 H ASP 2 55.619 7.920 9.970 13 HA ASP 2 HA ASP 2 54.408 10.572 9.453 14 HB2 ASP 2 HB2 ASP 2 52.181 9.416 9.711 15 HB3 ASP 2 HB3 ASP 2 53.061 9.028 8.240 16 HA PRO 3 HA PRO 3 55.357 9.869 13.971 17 HB2 PRO 3 HB2 PRO 3 55.482 12.605 14.527 18 HB3 PRO 3 HB3 PRO 3 56.867 11.568 14.140 19 HG2 PRO 3 HG2 PRO 3 55.339 13.407 12.382 20 HG3 PRO 3 HG3 PRO 3 57.078 13.061 12.425 21 HD2 PRO 3 HD2 PRO 3 55.509 12.005 10.515 22 HD3 PRO 3 HD3 PRO 3 56.859 11.079 11.212 23 H LYS 4 H LYS 4 54.052 10.262 15.827 24 HA LYS 4 HA LYS 4 51.321 11.233 15.210 25 HB2 LYS 4 HB2 LYS 4 52.242 9.217 17.277 26 HB3 LYS 4 HB3 LYS 4 50.573 9.708 16.990 27 HG2 LYS 4 HG2 LYS 4 50.632 8.810 14.739 28 HG3 LYS 4 HG3 LYS 4 52.355 8.458 14.882 29 HD2 LYS 4 HD2 LYS 4 51.173 6.394 15.262 30 HD3 LYS 4 HD3 LYS 4 51.787 6.940 16.824 31 HE2 LYS 4 HE2 LYS 4 49.678 7.596 17.576 32 HE3 LYS 4 HE3 LYS 4 49.038 7.769 15.942 33 HZ1 LYS 4 HZ1 LYS 4 48.169 5.789 17.002 34 HZ2 LYS 4 HZ2 LYS 4 49.743 5.209 17.271 35 HZ3 LYS 4 HZ3 LYS 4 49.153 5.365 15.686 36 H VAL 5 H VAL 5 50.424 12.806 16.499 37 HA VAL 5 HA VAL 5 51.816 13.493 19.013 38 HB VAL 5 HB VAL 5 51.405 15.909 18.523 39 HG11 VAL 5 HG11 VAL 5 53.266 15.916 16.661 40 HG12 VAL 5 HG12 VAL 5 53.293 14.178 16.965 41 HG13 VAL 5 HG13 VAL 5 53.634 15.308 18.277 42 HG21 VAL 5 HG21 VAL 5 50.772 14.783 15.779 43 HG22 VAL 5 HG22 VAL 5 51.165 16.476 16.071 44 HG23 VAL 5 HG23 VAL 5 49.720 15.770 16.795 45 H LEU 6 H LEU 6 50.614 14.237 20.656 46 HA LEU 6 HA LEU 6 47.682 14.006 20.362 47 HB2 LEU 6 HB2 LEU 6 48.803 12.539 22.037 48 HB3 LEU 6 HB3 LEU 6 49.343 13.982 22.893 49 HG LEU 6 HG LEU 6 46.840 14.650 22.934 50 HD11 LEU 6 HD11 LEU 6 46.759 11.799 21.988 51 HD12 LEU 6 HD12 LEU 6 45.775 13.169 21.476 52 HD13 LEU 6 HD13 LEU 6 45.475 12.402 23.035 53 HD21 LEU 6 HD21 LEU 6 48.089 13.942 24.928 54 HD22 LEU 6 HD22 LEU 6 47.845 12.250 24.498 55 HD23 LEU 6 HD23 LEU 6 46.466 13.251 24.954 56 H ILE 7 H ILE 7 46.354 15.704 20.838 57 HA ILE 7 HA ILE 7 47.680 18.294 21.310 58 HB ILE 7 HB ILE 7 44.860 17.787 20.334 59 HG12 ILE 7 HG12 ILE 7 47.240 18.633 18.666 60 HG13 ILE 7 HG13 ILE 7 46.729 16.949 18.791 61 HG21 ILE 7 HG21 ILE 7 46.624 20.257 20.268 62 HG22 ILE 7 HG22 ILE 7 45.282 19.998 21.382 63 HG23 ILE 7 HG23 ILE 7 44.976 20.146 19.651 64 HD11 ILE 7 HD11 ILE 7 45.788 18.491 16.857 65 HD12 ILE 7 HD12 ILE 7 44.664 19.017 18.106 66 HD13 ILE 7 HD13 ILE 7 44.746 17.315 17.654 67 H MET 8 H MET 8 47.376 19.403 23.104 68 HA MET 8 HA MET 8 45.304 18.644 25.036 69 HB2 MET 8 HB2 MET 8 47.582 20.648 25.120 70 HB3 MET 8 HB3 MET 8 46.463 20.371 26.448 71 HG2 MET 8 HG2 MET 8 48.221 18.241 25.194 72 HG3 MET 8 HG3 MET 8 48.590 19.083 26.696 73 HE1 MET 8 HE1 MET 8 47.476 18.675 28.957 74 HE2 MET 8 HE2 MET 8 45.891 17.943 29.159 75 HE3 MET 8 HE3 MET 8 46.051 19.440 28.253 76 H ARG 9 H ARG 9 43.391 19.756 25.123 77 HA ARG 9 HA ARG 9 42.721 21.621 23.130 78 HB2 ARG 9 HB2 ARG 9 41.348 21.098 25.773 79 HB3 ARG 9 HB3 ARG 9 40.665 22.044 24.452 80 HG2 ARG 9 HG2 ARG 9 40.955 20.033 22.962 81 HG3 ARG 9 HG3 ARG 9 41.411 19.109 24.394 82 HD2 ARG 9 HD2 ARG 9 38.774 20.526 23.936 83 HD3 ARG 9 HD3 ARG 9 39.035 18.786 23.944 84 HE ARG 9 HE ARG 9 39.893 19.953 26.397 85 HH11 ARG 9 HH11 ARG 9 36.970 19.036 24.688 86 HH12 ARG 9 HH12 ARG 9 36.066 18.812 26.148 87 HH21 ARG 9 HH21 ARG 9 38.681 19.649 28.245 88 HH22 ARG 9 HH22 ARG 9 37.025 19.155 28.136 89 H GLY 10 H GLY 10 42.363 23.836 23.179 90 HA2 GLY 10 HA2 GLY 10 43.155 25.410 25.485 91 HA3 GLY 10 HA3 GLY 10 44.257 25.505 24.115 92 H GLU 11 H GLU 11 43.221 27.829 24.765 93 HA GLU 11 HA GLU 11 40.695 28.596 23.934 94 HB2 GLU 11 HB2 GLU 11 42.357 30.042 25.107 95 HB3 GLU 11 HB3 GLU 11 43.220 30.222 23.578 96 HG2 GLU 11 HG2 GLU 11 41.139 31.121 22.547 97 HG3 GLU 11 HG3 GLU 11 40.345 31.020 24.113 98 H GLY 12 H GLY 12 43.533 27.935 21.949 99 HA2 GLY 12 HA2 GLY 12 42.616 29.127 19.550 100 HA3 GLY 12 HA3 GLY 12 43.818 27.844 19.664 101 H GLY 13 H GLY 13 42.259 27.654 17.536 102 HA2 GLY 13 HA2 GLY 13 39.841 26.139 18.089 103 HA3 GLY 13 HA3 GLY 13 40.459 26.582 16.502 104 H ARG 14 H ARG 14 39.728 23.997 18.254 105 HA ARG 14 HA ARG 14 41.933 22.276 18.257 106 HB2 ARG 14 HB2 ARG 14 39.019 21.621 17.733 107 HB3 ARG 14 HB3 ARG 14 40.262 20.456 18.185 108 HG2 ARG 14 HG2 ARG 14 40.628 21.672 20.305 109 HG3 ARG 14 HG3 ARG 14 39.362 22.820 19.860 110 HD2 ARG 14 HD2 ARG 14 37.798 20.832 19.647 111 HD3 ARG 14 HD3 ARG 14 39.061 19.857 20.391 112 HE ARG 14 HE ARG 14 38.842 21.793 22.198 113 HH11 ARG 14 HH11 ARG 14 36.281 20.031 20.557 114 HH12 ARG 14 HH12 ARG 14 35.154 20.277 21.848 115 HH21 ARG 14 HH21 ARG 14 37.339 22.076 23.823 116 HH22 ARG 14 HH22 ARG 14 35.745 21.416 23.670 117 H GLU 15 H GLU 15 39.505 22.879 15.734 118 HA GLU 15 HA GLU 15 40.419 20.927 13.916 119 HB2 GLU 15 HB2 GLU 15 38.190 22.052 13.834 120 HB3 GLU 15 HB3 GLU 15 38.994 23.513 13.258 121 HG2 GLU 15 HG2 GLU 15 39.920 22.211 11.347 122 HG3 GLU 15 HG3 GLU 15 39.021 20.805 11.898 123 H PHE 16 H PHE 16 41.272 24.348 14.324 124 HA PHE 16 HA PHE 16 42.643 24.664 11.887 125 HB2 PHE 16 HB2 PHE 16 41.930 26.516 13.367 126 HB3 PHE 16 HB3 PHE 16 43.173 26.053 14.513 127 HD1 PHE 16 HD1 PHE 16 42.525 27.454 11.151 128 HD2 PHE 16 HD2 PHE 16 45.486 26.625 14.151 129 HE1 PHE 16 HE1 PHE 16 44.151 28.884 9.942 130 HE2 PHE 16 HE2 PHE 16 47.112 28.055 12.942 131 HZ PHE 16 HZ PHE 16 46.445 29.185 10.838 132 H LEU 17 H LEU 17 43.984 24.017 15.147 133 HA LEU 17 HA LEU 17 46.665 23.884 14.272 134 HB2 LEU 17 HB2 LEU 17 45.408 22.569 16.694 135 HB3 LEU 17 HB3 LEU 17 47.129 22.860 16.452 136 HG LEU 17 HG LEU 17 45.015 25.032 16.533 137 HD11 LEU 17 HD11 LEU 17 45.360 23.891 18.725 138 HD12 LEU 17 HD12 LEU 17 45.916 25.564 18.743 139 HD13 LEU 17 HD13 LEU 17 47.083 24.248 18.610 140 HD21 LEU 17 HD21 LEU 17 48.036 25.034 16.330 141 HD22 LEU 17 HD22 LEU 17 47.120 26.456 16.830 142 HD23 LEU 17 HD23 LEU 17 46.877 25.772 15.223 143 H ALA 18 H ALA 18 44.261 21.306 14.803 144 HA ALA 18 HA ALA 18 46.044 19.170 14.343 145 HB1 ALA 18 HB1 ALA 18 44.086 18.457 15.358 146 HB2 ALA 18 HB2 ALA 18 43.765 17.998 13.685 147 HB3 ALA 18 HB3 ALA 18 43.067 19.478 14.343 148 H GLU 19 H GLU 19 43.947 20.994 12.138 149 HA GLU 19 HA GLU 19 44.305 19.389 9.865 150 HB2 GLU 19 HB2 GLU 19 42.629 21.236 10.097 151 HB3 GLU 19 HB3 GLU 19 43.948 22.394 9.918 152 HG2 GLU 19 HG2 GLU 19 44.520 21.357 7.728 153 HG3 GLU 19 HG3 GLU 19 43.135 20.287 7.898 154 H ARG 20 H ARG 20 46.214 22.104 11.136 155 HA ARG 20 HA ARG 20 47.937 22.408 8.945 156 HB2 ARG 20 HB2 ARG 20 47.695 23.954 10.918 157 HB3 ARG 20 HB3 ARG 20 48.679 22.820 11.845 158 HG2 ARG 20 HG2 ARG 20 50.504 23.060 10.192 159 HG3 ARG 20 HG3 ARG 20 49.525 24.220 9.291 160 HD2 ARG 20 HD2 ARG 20 49.410 25.638 11.355 161 HD3 ARG 20 HD3 ARG 20 50.532 24.526 12.131 162 HE ARG 20 HE ARG 20 52.242 25.494 10.920 163 HH11 ARG 20 HH11 ARG 20 49.208 26.347 9.373 164 HH12 ARG 20 HH12 ARG 20 49.966 27.435 8.259 165 HH21 ARG 20 HH21 ARG 20 53.161 26.911 9.457 166 HH22 ARG 20 HH22 ARG 20 52.174 27.748 8.307 167 H LEU 21 H LEU 21 48.447 20.472 11.930 168 HA LEU 21 HA LEU 21 50.949 19.436 11.109 169 HB2 LEU 21 HB2 LEU 21 48.913 18.378 13.074 170 HB3 LEU 21 HB3 LEU 21 50.497 17.644 12.828 171 HG LEU 21 HG LEU 21 50.117 20.565 13.532 172 HD11 LEU 21 HD11 LEU 21 49.343 18.719 15.248 173 HD12 LEU 21 HD12 LEU 21 50.345 20.063 15.799 174 HD13 LEU 21 HD13 LEU 21 51.076 18.490 15.482 175 HD21 LEU 21 HD21 LEU 21 52.448 18.703 13.178 176 HD22 LEU 21 HD22 LEU 21 52.583 20.005 14.358 177 HD23 LEU 21 HD23 LEU 21 52.273 20.381 12.663 178 H ARG 22 H ARG 22 47.648 18.265 10.591 179 HA ARG 22 HA ARG 22 48.290 15.774 9.461 180 HB2 ARG 22 HB2 ARG 22 46.000 16.480 10.130 181 HB3 ARG 22 HB3 ARG 22 45.968 17.591 8.763 182 HG2 ARG 22 HG2 ARG 22 44.849 15.651 7.988 183 HG3 ARG 22 HG3 ARG 22 46.464 15.532 7.296 184 HD2 ARG 22 HD2 ARG 22 47.137 14.053 9.179 185 HD3 ARG 22 HD3 ARG 22 45.493 14.136 9.805 186 HE ARG 22 HE ARG 22 44.818 12.685 8.121 187 HH11 ARG 22 HH11 ARG 22 48.073 13.793 7.413 188 HH12 ARG 22 HH12 ARG 22 48.290 12.651 6.130 189 HH21 ARG 22 HH21 ARG 22 45.155 11.237 6.459 190 HH22 ARG 22 HH22 ARG 22 46.658 11.222 5.597 191 H GLY 23 H GLY 23 48.009 18.995 8.006 192 HA2 GLY 23 HA2 GLY 23 48.250 18.267 5.313 193 HA3 GLY 23 HA3 GLY 23 48.722 19.822 5.983 194 H GLN 24 H GLN 24 50.723 18.669 7.795 195 HA GLN 24 HA GLN 24 52.876 18.365 5.866 196 HB2 GLN 24 HB2 GLN 24 52.889 18.543 8.877 197 HB3 GLN 24 HB3 GLN 24 54.342 18.421 7.884 198 HG2 GLN 24 HG2 GLN 24 53.737 20.482 6.704 199 HG3 GLN 24 HG3 GLN 24 52.249 20.600 7.641 200 HE21 GLN 24 HE21 GLN 24 54.369 22.613 7.648 201 HE22 GLN 24 HE22 GLN 24 54.992 22.673 9.225 202 H GLY 25 H GLY 25 50.828 16.079 6.898 203 HA2 GLY 25 HA2 GLY 25 51.056 13.794 6.473 204 HA3 GLY 25 HA3 GLY 25 52.799 14.000 6.408 205 H VAL 26 H VAL 26 51.256 15.357 9.200 206 HA VAL 26 HA VAL 26 52.301 13.139 10.830 207 HB VAL 26 HB VAL 26 51.395 15.902 11.687 208 HG11 VAL 26 HG11 VAL 26 51.301 14.067 13.413 209 HG12 VAL 26 HG12 VAL 26 52.432 15.361 13.806 210 HG13 VAL 26 HG13 VAL 26 53.032 13.828 13.174 211 HG21 VAL 26 HG21 VAL 26 53.346 16.287 10.425 212 HG22 VAL 26 HG22 VAL 26 54.076 14.759 10.917 213 HG23 VAL 26 HG23 VAL 26 53.967 16.094 12.065 214 H GLN 27 H GLN 27 51.006 11.927 12.128 215 HA GLN 27 HA GLN 27 48.141 12.015 11.643 216 HB2 GLN 27 HB2 GLN 27 49.778 10.233 13.465 217 HB3 GLN 27 HB3 GLN 27 48.085 9.994 13.040 218 HG2 GLN 27 HG2 GLN 27 48.765 9.847 10.635 219 HG3 GLN 27 HG3 GLN 27 50.451 9.926 11.149 220 HE21 GLN 27 HE21 GLN 27 51.400 8.020 12.057 221 HE22 GLN 27 HE22 GLN 27 50.564 6.547 12.176 222 H VAL 28 H VAL 28 46.645 12.894 13.009 223 HA VAL 28 HA VAL 28 47.682 14.052 15.541 224 HB VAL 28 HB VAL 28 45.672 15.331 13.675 225 HG11 VAL 28 HG11 VAL 28 47.190 16.501 16.020 226 HG12 VAL 28 HG12 VAL 28 45.557 15.850 16.159 227 HG13 VAL 28 HG13 VAL 28 45.865 17.239 15.124 228 HG21 VAL 28 HG21 VAL 28 48.024 15.228 12.755 229 HG22 VAL 28 HG22 VAL 28 48.558 16.122 14.179 230 HG23 VAL 28 HG23 VAL 28 47.436 16.867 13.041 231 H ASP 29 H ASP 29 46.587 13.634 17.307 232 HA ASP 29 HA ASP 29 43.682 13.176 17.143 233 HB2 ASP 29 HB2 ASP 29 44.845 10.970 17.361 234 HB3 ASP 29 HB3 ASP 29 45.554 11.537 18.871 235 H TYR 30 H TYR 30 42.543 14.180 18.797 236 HA TYR 30 HA TYR 30 44.180 15.679 20.767 237 HB2 TYR 30 HB2 TYR 30 42.556 17.430 20.701 238 HB3 TYR 30 HB3 TYR 30 43.065 17.077 19.062 239 HD1 TYR 30 HD1 TYR 30 40.291 17.362 21.335 240 HD2 TYR 30 HD2 TYR 30 41.542 15.632 17.606 241 HE1 TYR 30 HE1 TYR 30 37.917 17.050 20.682 242 HE2 TYR 30 HE2 TYR 30 39.168 15.321 16.954 243 HH TYR 30 HH TYR 30 36.773 16.773 18.070 244 H LEU 31 H LEU 31 43.568 15.704 22.891 245 HA LEU 31 HA LEU 31 41.549 13.682 23.642 246 HB2 LEU 31 HB2 LEU 31 43.841 13.078 24.233 247 HB3 LEU 31 HB3 LEU 31 44.039 14.600 25.095 248 HG LEU 31 HG LEU 31 42.092 13.880 26.576 249 HD11 LEU 31 HD11 LEU 31 41.138 12.168 25.109 250 HD12 LEU 31 HD12 LEU 31 41.650 11.433 26.630 251 HD13 LEU 31 HD13 LEU 31 42.638 11.243 25.181 252 HD21 LEU 31 HD21 LEU 31 43.527 12.719 28.031 253 HD22 LEU 31 HD22 LEU 31 44.648 13.616 27.005 254 HD23 LEU 31 HD23 LEU 31 44.359 11.901 26.708 255 HA PRO 32 HA PRO 32 39.580 17.319 25.599 256 HB2 PRO 32 HB2 PRO 32 37.910 15.383 27.086 257 HB3 PRO 32 HB3 PRO 32 37.422 16.679 25.978 258 HG2 PRO 32 HG2 PRO 32 37.236 14.095 25.322 259 HG3 PRO 32 HG3 PRO 32 37.603 15.355 24.129 260 HD2 PRO 32 HD2 PRO 32 39.471 13.402 25.433 261 HD3 PRO 32 HD3 PRO 32 39.452 13.997 23.757 262 H LEU 33 H LEU 33 40.105 18.382 27.456 263 HA LEU 33 HA LEU 33 42.050 17.218 29.154 264 HB2 LEU 33 HB2 LEU 33 40.512 19.777 29.612 265 HB3 LEU 33 HB3 LEU 33 42.050 19.329 30.341 266 HG LEU 33 HG LEU 33 41.551 19.773 27.385 267 HD11 LEU 33 HD11 LEU 33 42.228 21.630 29.506 268 HD12 LEU 33 HD12 LEU 33 41.924 21.940 27.805 269 HD13 LEU 33 HD13 LEU 33 43.552 21.553 28.345 270 HD21 LEU 33 HD21 LEU 33 43.965 18.852 28.929 271 HD22 LEU 33 HD22 LEU 33 44.139 19.669 27.375 272 HD23 LEU 33 HD23 LEU 33 43.249 18.149 27.478 273 H ASP 34 H ASP 34 38.692 16.869 29.310 274 HA ASP 34 HA ASP 34 38.415 16.895 32.172 275 HB2 ASP 34 HB2 ASP 34 36.620 15.830 29.990 276 HB3 ASP 34 HB3 ASP 34 36.181 15.914 31.694 277 H TYR 35 H TYR 35 39.792 14.572 30.066 278 HA TYR 35 HA TYR 35 38.752 12.195 31.172 279 HB2 TYR 35 HB2 TYR 35 41.102 12.926 29.513 280 HB3 TYR 35 HB3 TYR 35 41.164 11.375 30.328 281 HD1 TYR 35 HD1 TYR 35 40.132 9.510 29.370 282 HD2 TYR 35 HD2 TYR 35 38.961 13.450 28.122 283 HE1 TYR 35 HE1 TYR 35 38.706 8.524 27.597 284 HE2 TYR 35 HE2 TYR 35 37.534 12.464 26.349 285 HH TYR 35 HH TYR 35 37.696 9.904 25.100 286 HA PRO 36 HA PRO 36 40.844 12.207 35.061 287 HB2 PRO 36 HB2 PRO 36 40.791 9.599 35.781 288 HB3 PRO 36 HB3 PRO 36 39.318 10.587 35.694 289 HG2 PRO 36 HG2 PRO 36 40.368 8.589 33.760 290 HG3 PRO 36 HG3 PRO 36 38.699 8.903 34.269 291 HD2 PRO 36 HD2 PRO 36 39.779 9.838 31.910 292 HD3 PRO 36 HD3 PRO 36 38.410 10.596 32.746 293 H ALA 37 H ALA 37 42.763 11.606 36.207 294 HA ALA 37 HA ALA 37 45.096 11.542 34.703 295 HB1 ALA 37 HB1 ALA 37 46.215 10.883 36.850 296 HB2 ALA 37 HB2 ALA 37 44.615 10.688 37.564 297 HB3 ALA 37 HB3 ALA 37 45.141 12.274 36.997 298 H GLY 38 H GLY 38 46.691 9.925 34.367 299 HA2 GLY 38 HA2 GLY 38 47.436 7.678 34.234 300 HA3 GLY 38 HA3 GLY 38 45.801 7.137 34.595 301 H GLU 39 H GLU 39 44.479 8.837 32.635 302 HA GLU 39 HA GLU 39 44.518 7.066 30.450 303 HB2 GLU 39 HB2 GLU 39 43.483 9.902 30.638 304 HB3 GLU 39 HB3 GLU 39 43.156 8.805 29.295 305 HG2 GLU 39 HG2 GLU 39 42.451 8.278 32.196 306 HG3 GLU 39 HG3 GLU 39 41.319 8.793 30.952 307 H LEU 40 H LEU 40 46.209 10.123 31.004 308 HA LEU 40 HA LEU 40 47.040 10.620 28.365 309 HB2 LEU 40 HB2 LEU 40 47.232 12.231 30.258 310 HB3 LEU 40 HB3 LEU 40 48.539 11.251 30.921 311 HG LEU 40 HG LEU 40 49.704 11.538 28.654 312 HD11 LEU 40 HD11 LEU 40 47.538 13.649 28.434 313 HD12 LEU 40 HD12 LEU 40 47.802 12.289 27.342 314 HD13 LEU 40 HD13 LEU 40 48.979 13.601 27.419 315 HD21 LEU 40 HD21 LEU 40 49.214 14.086 30.222 316 HD22 LEU 40 HD22 LEU 40 50.666 13.646 29.322 317 HD23 LEU 40 HD23 LEU 40 50.246 12.776 30.797 318 H LEU 41 H LEU 41 48.595 8.795 30.992 319 HA LEU 41 HA LEU 41 50.993 8.234 29.606 320 HB2 LEU 41 HB2 LEU 41 50.636 8.002 32.081 321 HB3 LEU 41 HB3 LEU 41 49.700 6.543 31.755 322 HG LEU 41 HG LEU 41 51.824 5.819 30.386 323 HD11 LEU 41 HD11 LEU 41 53.870 6.747 31.697 324 HD12 LEU 41 HD12 LEU 41 52.797 8.080 32.121 325 HD13 LEU 41 HD13 LEU 41 53.166 7.748 30.428 326 HD21 LEU 41 HD21 LEU 41 51.315 4.464 32.210 327 HD22 LEU 41 HD22 LEU 41 51.373 5.802 33.355 328 HD23 LEU 41 HD23 LEU 41 52.870 5.126 32.713 329 H ALA 42 H ALA 42 47.966 6.390 29.916 330 HA ALA 42 HA ALA 42 48.896 4.048 28.657 331 HB1 ALA 42 HB1 ALA 42 46.445 3.601 28.252 332 HB2 ALA 42 HB2 ALA 42 46.111 5.198 28.921 333 HB3 ALA 42 HB3 ALA 42 46.861 3.959 29.928 334 H ARG 43 H ARG 43 47.232 6.894 27.328 335 HA ARG 43 HA ARG 43 46.988 5.927 24.691 336 HB2 ARG 43 HB2 ARG 43 47.219 8.766 25.714 337 HB3 ARG 43 HB3 ARG 43 46.763 8.330 24.066 338 HG2 ARG 43 HG2 ARG 43 44.859 7.010 24.973 339 HG3 ARG 43 HG3 ARG 43 45.283 7.551 26.596 340 HD2 ARG 43 HD2 ARG 43 45.043 9.925 25.776 341 HD3 ARG 43 HD3 ARG 43 44.405 9.275 24.268 342 HE ARG 43 HE ARG 43 42.996 9.530 26.737 343 HH11 ARG 43 HH11 ARG 43 43.260 7.437 23.930 344 HH12 ARG 43 HH12 ARG 43 41.644 6.838 24.101 345 HH21 ARG 43 HH21 ARG 43 40.925 8.723 26.905 346 HH22 ARG 43 HH22 ARG 43 40.338 7.559 25.765 347 H VAL 44 H VAL 44 49.608 7.713 26.296 348 HA VAL 44 HA VAL 44 51.116 8.236 23.975 349 HB VAL 44 HB VAL 44 52.044 7.866 26.835 350 HG11 VAL 44 HG11 VAL 44 54.019 9.154 26.176 351 HG12 VAL 44 HG12 VAL 44 53.421 9.264 24.520 352 HG13 VAL 44 HG13 VAL 44 53.901 7.702 25.183 353 HG21 VAL 44 HG21 VAL 44 51.631 10.135 27.159 354 HG22 VAL 44 HG22 VAL 44 50.286 9.701 26.109 355 HG23 VAL 44 HG23 VAL 44 51.701 10.505 25.437 356 H ARG 45 H ARG 45 51.210 5.500 26.246 357 HA ARG 45 HA ARG 45 53.448 4.239 25.042 358 HB2 ARG 45 HB2 ARG 45 52.654 3.806 27.359 359 HB3 ARG 45 HB3 ARG 45 51.257 2.964 26.690 360 HG2 ARG 45 HG2 ARG 45 52.809 1.409 25.505 361 HG3 ARG 45 HG3 ARG 45 54.167 2.207 26.300 362 HD2 ARG 45 HD2 ARG 45 51.871 0.824 27.716 363 HD3 ARG 45 HD3 ARG 45 53.490 0.162 27.514 364 HE ARG 45 HE ARG 45 54.025 2.492 28.730 365 HH11 ARG 45 HH11 ARG 45 51.629 0.048 29.513 366 HH12 ARG 45 HH12 ARG 45 51.657 0.420 31.205 367 HH21 ARG 45 HH21 ARG 45 54.018 2.926 30.917 368 HH22 ARG 45 HH22 ARG 45 52.993 2.030 31.989 369 H ALA 46 H ALA 46 49.947 3.581 24.740 370 HA ALA 46 HA ALA 46 50.286 1.341 23.033 371 HB1 ALA 46 HB1 ALA 46 48.257 1.695 24.371 372 HB2 ALA 46 HB2 ALA 46 47.867 1.526 22.658 373 HB3 ALA 46 HB3 ALA 46 47.869 3.122 23.410 374 H GLU 47 H GLU 47 49.517 4.755 22.370 375 HA GLU 47 HA GLU 47 49.314 4.315 19.534 376 HB2 GLU 47 HB2 GLU 47 49.493 6.869 21.140 377 HB3 GLU 47 HB3 GLU 47 49.106 6.771 19.422 378 HG2 GLU 47 HG2 GLU 47 47.523 5.452 21.645 379 HG3 GLU 47 HG3 GLU 47 47.065 6.936 20.820 380 H ARG 48 H ARG 48 52.018 4.663 21.586 381 HA ARG 48 HA ARG 48 54.241 5.075 21.197 382 HB2 ARG 48 HB2 ARG 48 53.765 3.241 19.523 383 HB3 ARG 48 HB3 ARG 48 53.576 4.501 18.303 384 HG2 ARG 48 HG2 ARG 48 55.880 5.312 18.845 385 HG3 ARG 48 HG3 ARG 48 56.059 3.956 19.955 386 HD2 ARG 48 HD2 ARG 48 55.490 3.721 16.988 387 HD3 ARG 48 HD3 ARG 48 57.058 3.462 17.747 388 HE ARG 48 HE ARG 48 54.917 1.833 18.831 389 HH11 ARG 48 HH11 ARG 48 57.451 2.001 16.407 390 HH12 ARG 48 HH12 ARG 48 57.539 0.280 16.235 391 HH21 ARG 48 HH21 ARG 48 55.076 -0.375 18.567 392 HH22 ARG 48 HH22 ARG 48 56.211 -1.048 17.445 393 H LEU 49 H LEU 49 53.082 7.354 21.589 394 HA LEU 49 HA LEU 49 52.987 9.149 19.367 395 HB2 LEU 49 HB2 LEU 49 53.165 9.754 22.328 396 HB3 LEU 49 HB3 LEU 49 52.783 10.925 21.071 397 HG LEU 49 HG LEU 49 51.152 8.442 21.692 398 HD11 LEU 49 HD11 LEU 49 49.544 9.983 22.668 399 HD12 LEU 49 HD12 LEU 49 50.531 11.367 22.195 400 HD13 LEU 49 HD13 LEU 49 51.107 10.261 23.437 401 HD21 LEU 49 HD21 LEU 49 50.971 10.647 19.649 402 HD22 LEU 49 HD22 LEU 49 49.492 9.886 20.241 403 HD23 LEU 49 HD23 LEU 49 50.723 8.914 19.433 404 H ASN 50 H ASN 50 54.378 10.695 18.696 405 HA ASN 50 HA ASN 50 57.188 10.381 19.436 406 HB2 ASN 50 HB2 ASN 50 55.769 11.947 17.276 407 HB3 ASN 50 HB3 ASN 50 57.499 12.074 17.574 408 HD21 ASN 50 HD21 ASN 50 58.843 10.411 16.765 409 HD22 ASN 50 HD22 ASN 50 58.249 9.067 15.920 410 H GLY 51 H GLY 51 54.586 12.803 19.498 411 HA2 GLY 51 HA2 GLY 51 56.121 14.369 21.436 412 HA3 GLY 51 HA3 GLY 51 55.804 15.151 19.895 413 H LEU 52 H LEU 52 54.962 16.343 22.128 414 HA LEU 52 HA LEU 52 52.018 16.003 22.055 415 HB2 LEU 52 HB2 LEU 52 53.682 16.917 24.417 416 HB3 LEU 52 HB3 LEU 52 51.930 16.732 24.383 417 HG LEU 52 HG LEU 52 53.911 14.480 23.928 418 HD11 LEU 52 HD11 LEU 52 53.887 15.371 26.266 419 HD12 LEU 52 HD12 LEU 52 53.280 13.719 26.158 420 HD13 LEU 52 HD13 LEU 52 52.151 15.063 26.329 421 HD21 LEU 52 HD21 LEU 52 51.825 14.043 22.785 422 HD22 LEU 52 HD22 LEU 52 50.890 14.587 24.178 423 HD23 LEU 52 HD23 LEU 52 51.820 13.092 24.269 424 H VAL 53 H VAL 53 50.816 17.865 21.826 425 HA VAL 53 HA VAL 53 52.333 20.389 21.463 426 HB VAL 53 HB VAL 53 49.846 19.485 19.982 427 HG11 VAL 53 HG11 VAL 53 51.649 21.876 19.505 428 HG12 VAL 53 HG12 VAL 53 50.091 21.955 20.328 429 HG13 VAL 53 HG13 VAL 53 50.168 21.479 18.631 430 HG21 VAL 53 HG21 VAL 53 52.181 18.376 19.455 431 HG22 VAL 53 HG22 VAL 53 52.534 19.931 18.708 432 HG23 VAL 53 HG23 VAL 53 51.178 18.967 18.134 433 H VAL 54 H VAL 54 51.713 22.023 22.762 434 HA VAL 54 HA VAL 54 48.932 22.020 23.792 435 HB VAL 54 HB VAL 54 49.833 23.386 25.707 436 HG11 VAL 54 HG11 VAL 54 50.481 20.498 25.236 437 HG12 VAL 54 HG12 VAL 54 49.269 21.219 26.297 438 HG13 VAL 54 HG13 VAL 54 50.973 21.268 26.746 439 HG21 VAL 54 HG21 VAL 54 52.221 23.226 26.218 440 HG22 VAL 54 HG22 VAL 54 52.003 23.995 24.646 441 HG23 VAL 54 HG23 VAL 54 52.499 22.305 24.740 442 H SER 55 H SER 55 47.735 23.700 23.250 443 HA SER 55 HA SER 55 49.007 25.963 21.897 444 HB2 SER 55 HB2 SER 55 46.845 26.489 21.040 445 HB3 SER 55 HB3 SER 55 47.041 24.745 20.905 446 HG SER 55 HG SER 55 45.291 24.732 22.045 447 H SER 56 H SER 56 48.157 25.309 25.079 448 HA SER 56 HA SER 56 48.093 28.148 25.708 449 HB2 SER 56 HB2 SER 56 45.990 28.120 26.882 450 HB3 SER 56 HB3 SER 56 45.709 27.542 25.242 451 HG SER 56 HG SER 56 45.917 25.435 26.170 452 H GLY 57 H GLY 57 48.440 28.606 27.928 453 HA2 GLY 57 HA2 GLY 57 50.197 26.911 29.290 454 HA3 GLY 57 HA3 GLY 57 49.323 28.252 30.025 455 H GLN 58 H GLN 58 46.682 27.299 29.594 456 HA GLN 58 HA GLN 58 46.298 25.730 31.890 457 HB2 GLN 58 HB2 GLN 58 44.480 26.171 29.510 458 HB3 GLN 58 HB3 GLN 58 43.976 25.431 31.029 459 HG2 GLN 58 HG2 GLN 58 44.569 27.460 32.255 460 HG3 GLN 58 HG3 GLN 58 45.175 28.203 30.777 461 HE21 GLN 58 HE21 GLN 58 43.068 29.405 32.300 462 HE22 GLN 58 HE22 GLN 58 41.644 29.347 31.378 463 H GLY 59 H GLY 59 46.412 24.820 28.453 464 HA2 GLY 59 HA2 GLY 59 45.732 22.113 28.740 465 HA3 GLY 59 HA3 GLY 59 46.700 22.782 27.430 466 H LEU 60 H LEU 60 48.894 23.737 28.847 467 HA LEU 60 HA LEU 60 50.500 21.440 28.978 468 HB2 LEU 60 HB2 LEU 60 51.377 23.712 28.577 469 HB3 LEU 60 HB3 LEU 60 50.994 24.150 30.239 470 HG LEU 60 HG LEU 60 52.504 22.307 31.019 471 HD11 LEU 60 HD11 LEU 60 54.144 21.472 29.273 472 HD12 LEU 60 HD12 LEU 60 53.056 22.127 28.048 473 HD13 LEU 60 HD13 LEU 60 52.505 20.840 29.121 474 HD21 LEU 60 HD21 LEU 60 54.055 24.109 29.170 475 HD22 LEU 60 HD22 LEU 60 54.452 23.605 30.814 476 HD23 LEU 60 HD23 LEU 60 53.174 24.788 30.538 477 H GLN 61 H GLN 61 49.086 23.394 31.584 478 HA GLN 61 HA GLN 61 50.218 21.953 33.726 479 HB2 GLN 61 HB2 GLN 61 47.632 23.523 33.617 480 HB3 GLN 61 HB3 GLN 61 48.433 22.988 35.095 481 HG2 GLN 61 HG2 GLN 61 49.647 24.822 33.006 482 HG3 GLN 61 HG3 GLN 61 49.002 25.336 34.563 483 HE21 GLN 61 HE21 GLN 61 51.905 24.812 33.117 484 HE22 GLN 61 HE22 GLN 61 52.807 24.291 34.449 485 H ASN 62 H ASN 62 47.152 21.532 31.987 486 HA ASN 62 HA ASN 62 46.086 19.464 33.555 487 HB2 ASN 62 HB2 ASN 62 45.809 19.933 30.577 488 HB3 ASN 62 HB3 ASN 62 44.781 18.873 31.542 489 HD21 ASN 62 HD21 ASN 62 44.406 21.654 30.089 490 HD22 ASN 62 HD22 ASN 62 43.570 22.560 31.254 491 H LEU 63 H LEU 63 48.348 19.374 30.827 492 HA LEU 63 HA LEU 63 48.473 16.604 30.447 493 HB2 LEU 63 HB2 LEU 63 49.542 18.346 28.979 494 HB3 LEU 63 HB3 LEU 63 50.787 18.541 30.211 495 HG LEU 63 HG LEU 63 51.105 15.980 30.014 496 HD11 LEU 63 HD11 LEU 63 50.479 15.074 27.793 497 HD12 LEU 63 HD12 LEU 63 49.646 16.583 27.423 498 HD13 LEU 63 HD13 LEU 63 49.056 15.547 28.721 499 HD21 LEU 63 HD21 LEU 63 52.739 17.635 29.201 500 HD22 LEU 63 HD22 LEU 63 51.825 17.811 27.702 501 HD23 LEU 63 HD23 LEU 63 52.620 16.282 28.076 502 H TYR 64 H TYR 64 50.296 18.712 32.626 503 HA TYR 64 HA TYR 64 52.050 16.782 33.672 504 HB2 TYR 64 HB2 TYR 64 52.214 19.263 33.950 505 HB3 TYR 64 HB3 TYR 64 50.895 19.177 35.101 506 HD1 TYR 64 HD1 TYR 64 51.237 18.269 37.339 507 HD2 TYR 64 HD2 TYR 64 54.437 18.389 34.473 508 HE1 TYR 64 HE1 TYR 64 52.876 17.825 39.147 509 HE2 TYR 64 HE2 TYR 64 56.065 17.948 36.272 510 HH TYR 64 HH TYR 64 56.170 17.133 38.481 511 H GLN 65 H GLN 65 48.867 17.876 34.813 512 HA GLN 65 HA GLN 65 48.824 16.365 37.190 513 HB2 GLN 65 HB2 GLN 65 46.545 17.366 35.471 514 HB3 GLN 65 HB3 GLN 65 46.355 16.700 37.094 515 HG2 GLN 65 HG2 GLN 65 47.793 18.448 38.016 516 HG3 GLN 65 HG3 GLN 65 48.088 19.089 36.402 517 HE21 GLN 65 HE21 GLN 65 46.926 20.699 38.470 518 HE22 GLN 65 HE22 GLN 65 45.325 21.052 38.031 519 H LEU 66 H LEU 66 47.614 15.608 33.937 520 HA LEU 66 HA LEU 66 46.507 13.094 34.643 521 HB2 LEU 66 HB2 LEU 66 47.456 14.105 31.952 522 HB3 LEU 66 HB3 LEU 66 46.495 12.649 32.202 523 HG LEU 66 HG LEU 66 45.633 15.438 33.030 524 HD11 LEU 66 HD11 LEU 66 43.900 14.894 31.126 525 HD12 LEU 66 HD12 LEU 66 45.151 13.784 30.564 526 HD13 LEU 66 HD13 LEU 66 45.498 15.508 30.694 527 HD21 LEU 66 HD21 LEU 66 44.351 12.704 33.119 528 HD22 LEU 66 HD22 LEU 66 43.375 14.174 33.102 529 HD23 LEU 66 HD23 LEU 66 44.508 13.883 34.421 530 H ALA 67 H ALA 67 49.731 14.047 33.568 531 HA ALA 67 HA ALA 67 50.813 11.510 33.091 532 HB1 ALA 67 HB1 ALA 67 52.992 12.590 33.652 533 HB2 ALA 67 HB2 ALA 67 52.105 14.009 34.209 534 HB3 ALA 67 HB3 ALA 67 52.027 13.530 32.513 535 H ALA 68 H ALA 68 50.497 13.358 36.110 536 HA ALA 68 HA ALA 68 50.460 12.658 38.295 537 HB1 ALA 68 HB1 ALA 68 49.145 10.816 38.654 538 HB2 ALA 68 HB2 ALA 68 50.056 9.812 37.527 539 HB3 ALA 68 HB3 ALA 68 48.869 10.963 36.918 540 H ALA 69 H ALA 69 51.433 9.690 38.902 541 HA ALA 69 HA ALA 69 53.974 10.500 39.780 542 HB1 ALA 69 HB1 ALA 69 53.011 7.669 39.357 543 HB2 ALA 69 HB2 ALA 69 52.601 8.660 40.758 544 HB3 ALA 69 HB3 ALA 69 54.280 8.210 40.457 545 H ASP 70 H ASP 70 53.002 9.378 36.643 546 HA ASP 70 HA ASP 70 55.666 8.312 36.038 547 HB2 ASP 70 HB2 ASP 70 53.108 8.379 34.438 548 HB3 ASP 70 HB3 ASP 70 54.623 7.682 33.866 549 H TRP 71 H TRP 71 54.667 11.375 36.192 550 HA TRP 71 HA TRP 71 55.083 12.605 33.785 551 HB2 TRP 71 HB2 TRP 71 54.421 13.884 35.646 552 HB3 TRP 71 HB3 TRP 71 55.832 13.436 36.571 553 HD1 TRP 71 HD1 TRP 71 57.577 15.232 36.726 554 HE1 TRP 71 HE1 TRP 71 58.227 17.308 35.353 555 HE3 TRP 71 HE3 TRP 71 54.346 14.756 32.796 556 HZ2 TRP 71 HZ2 TRP 71 57.507 18.589 32.903 557 HZ3 TRP 71 HZ3 TRP 71 54.357 16.413 30.956 558 HH2 TRP 71 HH2 TRP 71 55.934 18.328 31.003 559 HA PRO 72 HA PRO 72 60.001 12.507 34.627 560 HB2 PRO 72 HB2 PRO 72 59.869 9.630 35.463 561 HB3 PRO 72 HB3 PRO 72 61.071 10.870 35.875 562 HG2 PRO 72 HG2 PRO 72 59.174 10.153 37.594 563 HG3 PRO 72 HG3 PRO 72 59.740 11.829 37.474 564 HD2 PRO 72 HD2 PRO 72 57.155 10.670 36.616 565 HD3 PRO 72 HD3 PRO 72 57.558 12.347 37.038 566 H GLU 73 H GLU 73 58.000 9.710 33.615 567 HA GLU 73 HA GLU 73 59.825 9.007 31.485 568 HB2 GLU 73 HB2 GLU 73 57.012 8.077 32.105 569 HB3 GLU 73 HB3 GLU 73 58.049 7.389 30.855 570 HG2 GLU 73 HG2 GLU 73 58.717 7.505 33.810 571 HG3 GLU 73 HG3 GLU 73 58.144 6.076 32.957 572 H ILE 74 H ILE 74 56.585 10.456 31.694 573 HA ILE 74 HA ILE 74 56.142 10.737 28.935 574 HB ILE 74 HB ILE 74 55.083 12.388 31.246 575 HG12 ILE 74 HG12 ILE 74 53.830 10.063 29.760 576 HG13 ILE 74 HG13 ILE 74 54.716 9.878 31.271 577 HG21 ILE 74 HG21 ILE 74 53.909 12.022 28.472 578 HG22 ILE 74 HG22 ILE 74 54.803 13.457 28.976 579 HG23 ILE 74 HG23 ILE 74 53.282 13.043 29.766 580 HD11 ILE 74 HD11 ILE 74 52.050 10.259 31.187 581 HD12 ILE 74 HD12 ILE 74 52.565 11.943 31.249 582 HD13 ILE 74 HD13 ILE 74 53.049 10.824 32.523 583 H GLY 75 H GLY 75 57.795 12.832 31.222 584 HA2 GLY 75 HA2 GLY 75 57.904 15.186 29.690 585 HA3 GLY 75 HA3 GLY 75 58.988 14.770 31.006 586 H ARG 76 H ARG 76 59.576 12.228 29.212 587 HA ARG 76 HA ARG 76 62.017 13.177 28.144 588 HB2 ARG 76 HB2 ARG 76 60.483 10.624 27.615 589 HB3 ARG 76 HB3 ARG 76 62.152 10.919 27.120 590 HG2 ARG 76 HG2 ARG 76 62.735 11.371 29.500 591 HG3 ARG 76 HG3 ARG 76 61.093 10.930 29.961 592 HD2 ARG 76 HD2 ARG 76 63.131 9.143 28.608 593 HD3 ARG 76 HD3 ARG 76 62.575 9.029 30.276 594 HE ARG 76 HE ARG 76 60.264 8.795 28.920 595 HH11 ARG 76 HH11 ARG 76 63.341 7.171 28.444 596 HH12 ARG 76 HH12 ARG 76 62.602 5.751 27.785 597 HH21 ARG 76 HH21 ARG 76 59.370 6.941 28.062 598 HH22 ARG 76 HH22 ARG 76 60.382 5.623 27.572 599 H LEU 77 H LEU 77 58.799 12.934 26.771 600 HA LEU 77 HA LEU 77 59.702 12.859 24.047 601 HB2 LEU 77 HB2 LEU 77 56.979 13.338 25.267 602 HB3 LEU 77 HB3 LEU 77 57.271 13.225 23.532 603 HG LEU 77 HG LEU 77 58.253 11.054 25.365 604 HD11 LEU 77 HD11 LEU 77 56.125 9.857 24.991 605 HD12 LEU 77 HD12 LEU 77 55.475 11.272 24.164 606 HD13 LEU 77 HD13 LEU 77 55.860 11.354 25.884 607 HD21 LEU 77 HD21 LEU 77 59.033 11.012 23.064 608 HD22 LEU 77 HD22 LEU 77 57.387 11.214 22.463 609 HD23 LEU 77 HD23 LEU 77 57.852 9.719 23.272 610 HA PRO 78 HA PRO 78 60.183 17.252 23.332 611 HB2 PRO 78 HB2 PRO 78 59.039 17.475 20.794 612 HB3 PRO 78 HB3 PRO 78 60.717 17.002 21.125 613 HG2 PRO 78 HG2 PRO 78 58.359 15.303 20.516 614 HG3 PRO 78 HG3 PRO 78 60.047 15.127 20.002 615 HD2 PRO 78 HD2 PRO 78 59.035 13.596 21.973 616 HD3 PRO 78 HD3 PRO 78 60.715 14.172 22.020 617 H LEU 79 H LEU 79 58.982 18.850 24.176 618 HA LEU 79 HA LEU 79 56.045 18.782 23.830 619 HB2 LEU 79 HB2 LEU 79 56.973 18.825 26.153 620 HB3 LEU 79 HB3 LEU 79 57.699 20.389 25.790 621 HG LEU 79 HG LEU 79 55.291 21.095 25.095 622 HD11 LEU 79 HD11 LEU 79 54.227 18.933 25.095 623 HD12 LEU 79 HD12 LEU 79 53.571 19.836 26.461 624 HD13 LEU 79 HD13 LEU 79 54.794 18.595 26.731 625 HD21 LEU 79 HD21 LEU 79 54.984 21.998 27.227 626 HD22 LEU 79 HD22 LEU 79 56.708 21.626 27.247 627 HD23 LEU 79 HD23 LEU 79 55.563 20.541 28.036 628 H PHE 80 H PHE 80 55.189 20.158 22.391 629 HA PHE 80 HA PHE 80 56.709 22.493 21.474 630 HB2 PHE 80 HB2 PHE 80 53.984 21.463 20.661 631 HB3 PHE 80 HB3 PHE 80 54.822 22.804 19.919 632 HD1 PHE 80 HD1 PHE 80 54.226 19.286 19.882 633 HD2 PHE 80 HD2 PHE 80 57.091 22.285 18.762 634 HE1 PHE 80 HE1 PHE 80 55.210 17.726 18.228 635 HE2 PHE 80 HE2 PHE 80 58.078 20.720 17.109 636 HZ PHE 80 HZ PHE 80 57.126 18.447 16.831 637 H VAL 81 H VAL 81 56.436 24.410 22.510 638 HA VAL 81 HA VAL 81 53.900 24.887 23.951 639 HB VAL 81 HB VAL 81 55.091 26.568 25.245 640 HG11 VAL 81 HG11 VAL 81 55.180 24.338 26.132 641 HG12 VAL 81 HG12 VAL 81 56.790 25.030 26.320 642 HG13 VAL 81 HG13 VAL 81 56.470 23.884 25.019 643 HG21 VAL 81 HG21 VAL 81 57.696 26.513 24.911 644 HG22 VAL 81 HG22 VAL 81 56.711 27.531 23.859 645 HG23 VAL 81 HG23 VAL 81 57.293 25.969 23.283 646 HA PRO 82 HA PRO 82 52.914 27.815 20.835 647 HB2 PRO 82 HB2 PRO 82 51.018 29.326 22.014 648 HB3 PRO 82 HB3 PRO 82 50.753 27.613 21.627 649 HG2 PRO 82 HG2 PRO 82 51.358 28.889 24.233 650 HG3 PRO 82 HG3 PRO 82 50.311 27.509 23.864 651 HD2 PRO 82 HD2 PRO 82 52.905 27.314 24.863 652 HD3 PRO 82 HD3 PRO 82 52.024 26.008 24.046 653 H SER 83 H SER 83 54.106 29.060 23.884 654 HA SER 83 HA SER 83 54.947 31.537 22.565 655 HB2 SER 83 HB2 SER 83 53.866 32.995 24.080 656 HB3 SER 83 HB3 SER 83 52.631 31.827 23.625 657 HG SER 83 HG SER 83 53.571 32.340 26.011 658 HA PRO 84 HA PRO 84 58.532 31.248 25.162 659 HB2 PRO 84 HB2 PRO 84 58.126 34.038 26.113 660 HB3 PRO 84 HB3 PRO 84 59.531 33.309 25.311 661 HG2 PRO 84 HG2 PRO 84 57.907 34.983 24.031 662 HG3 PRO 84 HG3 PRO 84 58.659 33.602 23.213 663 HD2 PRO 84 HD2 PRO 84 55.832 33.925 24.141 664 HD3 PRO 84 HD3 PRO 84 56.462 33.077 22.710 665 H ARG 85 H ARG 85 55.824 33.012 26.696 666 HA ARG 85 HA ARG 85 56.609 32.654 29.362 667 HB2 ARG 85 HB2 ARG 85 53.826 32.872 28.193 668 HB3 ARG 85 HB3 ARG 85 54.214 33.029 29.907 669 HG2 ARG 85 HG2 ARG 85 55.724 34.922 29.382 670 HG3 ARG 85 HG3 ARG 85 55.284 34.786 27.679 671 HD2 ARG 85 HD2 ARG 85 53.911 36.519 28.631 672 HD3 ARG 85 HD3 ARG 85 52.879 35.118 28.360 673 HE ARG 85 HE ARG 85 54.059 35.294 31.012 674 HH11 ARG 85 HH11 ARG 85 51.260 36.048 29.032 675 HH12 ARG 85 HH12 ARG 85 50.209 36.199 30.400 676 HH21 ARG 85 HH21 ARG 85 52.657 35.504 32.734 677 HH22 ARG 85 HH22 ARG 85 50.991 35.895 32.469 678 H VAL 86 H VAL 86 54.460 30.641 27.340 679 HA VAL 86 HA VAL 86 53.914 28.681 29.280 680 HB VAL 86 HB VAL 86 54.110 28.366 26.272 681 HG11 VAL 86 HG11 VAL 86 54.056 26.174 27.203 682 HG12 VAL 86 HG12 VAL 86 52.382 26.533 26.784 683 HG13 VAL 86 HG13 VAL 86 52.916 26.653 28.460 684 HG21 VAL 86 HG21 VAL 86 51.728 28.953 28.058 685 HG22 VAL 86 HG22 VAL 86 51.703 28.799 26.302 686 HG23 VAL 86 HG23 VAL 86 52.550 30.148 27.057 687 H ALA 87 H ALA 87 56.574 28.979 26.947 688 HA ALA 87 HA ALA 87 57.816 26.513 27.397 689 HB1 ALA 87 HB1 ALA 87 58.340 28.493 25.722 690 HB2 ALA 87 HB2 ALA 87 59.608 27.372 26.220 691 HB3 ALA 87 HB3 ALA 87 59.484 28.958 26.981 692 H GLU 88 H GLU 88 58.066 29.567 29.173 693 HA GLU 88 HA GLU 88 60.215 28.863 30.846 694 HB2 GLU 88 HB2 GLU 88 57.887 30.730 31.348 695 HB3 GLU 88 HB3 GLU 88 59.310 30.615 32.383 696 HG2 GLU 88 HG2 GLU 88 60.744 31.168 30.429 697 HG3 GLU 88 HG3 GLU 88 59.301 31.360 29.445 698 H MET 89 H MET 89 56.700 28.442 31.268 699 HA MET 89 HA MET 89 56.890 27.219 33.822 700 HB2 MET 89 HB2 MET 89 54.781 26.798 31.695 701 HB3 MET 89 HB3 MET 89 54.653 26.273 33.373 702 HG2 MET 89 HG2 MET 89 55.051 28.716 34.019 703 HG3 MET 89 HG3 MET 89 54.780 29.103 32.320 704 HE1 MET 89 HE1 MET 89 52.246 26.561 31.849 705 HE2 MET 89 HE2 MET 89 53.041 27.906 31.032 706 HE3 MET 89 HE3 MET 89 51.341 28.035 31.478 707 H ALA 90 H ALA 90 57.038 25.900 30.540 708 HA ALA 90 HA ALA 90 56.626 23.206 31.193 709 HB1 ALA 90 HB1 ALA 90 56.713 24.445 28.880 710 HB2 ALA 90 HB2 ALA 90 57.160 22.742 28.986 711 HB3 ALA 90 HB3 ALA 90 58.414 23.980 28.920 712 H ARG 91 H ARG 91 59.655 25.053 30.856 713 HA ARG 91 HA ARG 91 61.318 22.808 31.398 714 HB2 ARG 91 HB2 ARG 91 63.144 24.382 31.704 715 HB3 ARG 91 HB3 ARG 91 62.203 24.810 30.279 716 HG2 ARG 91 HG2 ARG 91 60.960 26.465 31.648 717 HG3 ARG 91 HG3 ARG 91 62.024 26.110 33.012 718 HD2 ARG 91 HD2 ARG 91 63.972 26.735 31.560 719 HD3 ARG 91 HD3 ARG 91 62.832 27.222 30.310 720 HE ARG 91 HE ARG 91 62.264 28.499 32.806 721 HH11 ARG 91 HH11 ARG 91 64.411 28.679 30.034 722 HH12 ARG 91 HH12 ARG 91 64.702 30.374 30.245 723 HH21 ARG 91 HH21 ARG 91 62.677 30.680 33.027 724 HH22 ARG 91 HH22 ARG 91 63.731 31.491 31.917 725 H GLU 92 H GLU 92 59.889 25.303 33.506 726 HA GLU 92 HA GLU 92 61.116 24.494 35.895 727 HB2 GLU 92 HB2 GLU 92 58.388 25.688 35.396 728 HB3 GLU 92 HB3 GLU 92 59.074 25.454 37.005 729 HG2 GLU 92 HG2 GLU 92 61.035 26.820 36.351 730 HG3 GLU 92 HG3 GLU 92 60.308 27.096 34.776 731 H LEU 93 H LEU 93 58.309 23.162 34.202 732 HA LEU 93 HA LEU 93 57.432 21.379 36.198 733 HB2 LEU 93 HB2 LEU 93 57.395 20.960 33.201 734 HB3 LEU 93 HB3 LEU 93 56.494 20.012 34.372 735 HG LEU 93 HG LEU 93 56.130 22.960 33.773 736 HD11 LEU 93 HD11 LEU 93 55.132 21.611 32.070 737 HD12 LEU 93 HD12 LEU 93 53.819 22.078 33.153 738 HD13 LEU 93 HD13 LEU 93 54.517 20.460 33.257 739 HD21 LEU 93 HD21 LEU 93 55.690 22.675 36.127 740 HD22 LEU 93 HD22 LEU 93 54.832 21.161 35.838 741 HD23 LEU 93 HD23 LEU 93 54.126 22.693 35.309 742 H GLY 94 H GLY 94 60.242 21.245 34.123 743 HA2 GLY 94 HA2 GLY 94 62.023 19.694 34.576 744 HA3 GLY 94 HA3 GLY 94 60.826 18.522 35.103 745 H ALA 95 H ALA 95 59.886 20.162 32.204 746 HA ALA 95 HA ALA 95 59.891 17.836 30.633 747 HB1 ALA 95 HB1 ALA 95 58.512 19.454 29.743 748 HB2 ALA 95 HB2 ALA 95 59.930 19.683 28.719 749 HB3 ALA 95 HB3 ALA 95 59.644 20.762 30.084 750 H GLN 96 H GLN 96 61.465 16.779 29.600 751 HA GLN 96 HA GLN 96 64.170 17.554 30.119 752 HB2 GLN 96 HB2 GLN 96 63.034 15.278 28.480 753 HB3 GLN 96 HB3 GLN 96 64.732 15.454 28.938 754 HG2 GLN 96 HG2 GLN 96 64.075 15.476 31.327 755 HG3 GLN 96 HG3 GLN 96 62.395 15.247 30.857 756 HE21 GLN 96 HE21 GLN 96 62.498 13.189 32.141 757 HE22 GLN 96 HE22 GLN 96 63.191 11.812 31.445 758 H ARG 97 H ARG 97 62.075 17.601 27.275 759 HA ARG 97 HA ARG 97 64.124 19.243 25.912 760 HB2 ARG 97 HB2 ARG 97 64.060 16.951 24.938 761 HB3 ARG 97 HB3 ARG 97 62.348 17.177 24.585 762 HG2 ARG 97 HG2 ARG 97 63.454 17.720 22.561 763 HG3 ARG 97 HG3 ARG 97 63.071 19.280 23.282 764 HD2 ARG 97 HD2 ARG 97 65.366 19.375 24.236 765 HD3 ARG 97 HD3 ARG 97 65.738 17.848 23.442 766 HE ARG 97 HE ARG 97 64.761 19.928 21.672 767 HH11 ARG 97 HH11 ARG 97 67.618 18.461 23.090 768 HH12 ARG 97 HH12 ARG 97 68.665 19.063 21.848 769 HH21 ARG 97 HH21 ARG 97 66.158 20.674 20.102 770 HH22 ARG 97 HH22 ARG 97 67.847 20.301 20.179 771 H VAL 98 H VAL 98 63.310 21.229 25.746 772 HA VAL 98 HA VAL 98 60.391 21.552 25.365 773 HB VAL 98 HB VAL 98 62.401 23.549 26.439 774 HG11 VAL 98 HG11 VAL 98 59.369 23.592 26.312 775 HG12 VAL 98 HG12 VAL 98 60.450 24.576 25.327 776 HG13 VAL 98 HG13 VAL 98 60.381 24.822 27.072 777 HG21 VAL 98 HG21 VAL 98 62.124 21.760 28.048 778 HG22 VAL 98 HG22 VAL 98 60.376 21.759 27.817 779 HG23 VAL 98 HG23 VAL 98 61.161 23.129 28.602 780 H ILE 99 H ILE 99 59.666 22.411 23.541 781 HA ILE 99 HA ILE 99 61.598 23.647 21.670 782 HB ILE 99 HB ILE 99 59.202 21.888 21.066 783 HG12 ILE 99 HG12 ILE 99 62.139 21.344 20.561 784 HG13 ILE 99 HG13 ILE 99 61.298 20.781 22.005 785 HG21 ILE 99 HG21 ILE 99 60.448 22.006 18.720 786 HG22 ILE 99 HG22 ILE 99 61.018 23.547 19.357 787 HG23 ILE 99 HG23 ILE 99 59.288 23.246 19.195 788 HD11 ILE 99 HD11 ILE 99 60.513 20.119 19.151 789 HD12 ILE 99 HD12 ILE 99 59.690 19.550 20.602 790 HD13 ILE 99 HD13 ILE 99 61.341 19.029 20.263 791 H ASP 100 H ASP 100 61.139 25.708 21.183 792 HA ASP 100 HA ASP 100 58.454 26.766 21.728 793 HB2 ASP 100 HB2 ASP 100 60.448 28.010 22.538 794 HB3 ASP 100 HB3 ASP 100 60.969 28.213 20.867 795 H CYS 101 H CYS 101 56.997 26.667 20.134 796 HA CYS 101 HA CYS 101 57.833 26.305 17.394 797 HB2 CYS 101 HB2 CYS 101 55.476 26.101 16.883 798 HB3 CYS 101 HB3 CYS 101 55.846 25.154 18.321 799 HG CYS 101 HG CYS 101 53.679 26.942 18.436 800 H ARG 102 H ARG 102 56.855 29.015 19.359 801 HA ARG 102 HA ARG 102 55.871 30.770 17.423 802 HB2 ARG 102 HB2 ARG 102 55.890 31.192 19.881 803 HB3 ARG 102 HB3 ARG 102 57.623 31.501 19.779 804 HG2 ARG 102 HG2 ARG 102 57.188 33.315 18.142 805 HG3 ARG 102 HG3 ARG 102 55.455 33.034 18.313 806 HD2 ARG 102 HD2 ARG 102 55.666 33.499 20.759 807 HD3 ARG 102 HD3 ARG 102 57.361 33.902 20.503 808 HE ARG 102 HE ARG 102 55.832 35.438 18.723 809 HH11 ARG 102 HH11 ARG 102 56.321 35.187 22.190 810 HH12 ARG 102 HH12 ARG 102 55.938 36.854 22.466 811 HH21 ARG 102 HH21 ARG 102 55.348 37.575 19.139 812 HH22 ARG 102 HH22 ARG 102 55.394 38.188 20.759 813 H GLY 103 H GLY 103 59.214 29.976 18.272 814 HA2 GLY 103 HA2 GLY 103 60.258 31.903 16.342 815 HA3 GLY 103 HA3 GLY 103 61.206 30.891 17.426 816 H ALA 104 H ALA 104 59.868 28.405 16.693 817 HA ALA 104 HA ALA 104 61.356 27.915 14.222 818 HB1 ALA 104 HB1 ALA 104 60.200 26.174 16.379 819 HB2 ALA 104 HB2 ALA 104 61.863 26.271 15.800 820 HB3 ALA 104 HB3 ALA 104 60.632 25.482 14.815 821 H SER 105 H SER 105 60.424 27.699 12.295 822 HA SER 105 HA SER 105 57.655 28.144 11.903 823 HB2 SER 105 HB2 SER 105 59.697 27.002 9.983 824 HB3 SER 105 HB3 SER 105 58.115 27.637 9.546 825 HG SER 105 HG SER 105 58.833 29.599 10.000 826 H ALA 106 H ALA 106 56.096 26.706 10.947 827 HA ALA 106 HA ALA 106 55.665 24.340 12.257 828 HB1 ALA 106 HB1 ALA 106 53.859 24.008 10.870 829 HB2 ALA 106 HB2 ALA 106 54.707 24.583 9.436 830 HB3 ALA 106 HB3 ALA 106 54.150 25.733 10.648 831 HA PRO 107 HA PRO 107 57.485 21.683 8.644 832 HB2 PRO 107 HB2 PRO 107 59.610 22.924 7.309 833 HB3 PRO 107 HB3 PRO 107 57.985 22.661 6.653 834 HG2 PRO 107 HG2 PRO 107 59.168 25.099 7.840 835 HG3 PRO 107 HG3 PRO 107 57.999 24.931 6.519 836 HD2 PRO 107 HD2 PRO 107 57.248 25.728 8.968 837 HD3 PRO 107 HD3 PRO 107 56.186 24.734 7.954 838 H ALA 108 H ALA 108 59.496 24.117 10.249 839 HA ALA 108 HA ALA 108 61.740 22.508 10.795 840 HB1 ALA 108 HB1 ALA 108 60.743 24.532 12.774 841 HB2 ALA 108 HB2 ALA 108 61.323 25.063 11.196 842 HB3 ALA 108 HB3 ALA 108 62.398 24.179 12.279 843 H LEU 109 H LEU 109 58.699 22.961 12.563 844 HA LEU 109 HA LEU 109 59.302 21.430 14.833 845 HB2 LEU 109 HB2 LEU 109 56.616 21.684 13.458 846 HB3 LEU 109 HB3 LEU 109 56.890 21.214 15.133 847 HG LEU 109 HG LEU 109 57.663 23.888 13.926 848 HD11 LEU 109 HD11 LEU 109 55.792 24.808 15.113 849 HD12 LEU 109 HD12 LEU 109 55.490 23.283 15.945 850 HD13 LEU 109 HD13 LEU 109 55.180 23.420 14.214 851 HD21 LEU 109 HD21 LEU 109 59.148 23.312 15.753 852 HD22 LEU 109 HD22 LEU 109 57.792 22.780 16.747 853 HD23 LEU 109 HD23 LEU 109 57.982 24.488 16.357 854 H LEU 110 H LEU 110 57.980 20.474 11.686 855 HA LEU 110 HA LEU 110 57.480 17.767 12.230 856 HB2 LEU 110 HB2 LEU 110 56.792 18.945 10.151 857 HB3 LEU 110 HB3 LEU 110 58.476 18.963 9.629 858 HG LEU 110 HG LEU 110 58.472 16.440 9.850 859 HD11 LEU 110 HD11 LEU 110 55.529 17.007 10.273 860 HD12 LEU 110 HD12 LEU 110 56.611 16.082 11.314 861 HD13 LEU 110 HD13 LEU 110 56.130 15.436 9.745 862 HD21 LEU 110 HD21 LEU 110 58.315 17.235 7.636 863 HD22 LEU 110 HD22 LEU 110 56.716 17.928 7.903 864 HD23 LEU 110 HD23 LEU 110 56.910 16.180 7.781 865 H ALA 111 H ALA 111 60.423 19.377 11.086 866 HA ALA 111 HA ALA 111 62.046 17.096 10.829 867 HB1 ALA 111 HB1 ALA 111 62.895 19.888 11.638 868 HB2 ALA 111 HB2 ALA 111 62.656 19.342 9.978 869 HB3 ALA 111 HB3 ALA 111 63.935 18.635 10.963 870 H ALA 112 H ALA 112 61.363 19.163 13.623 871 HA ALA 112 HA ALA 112 63.244 18.076 15.399 872 HB1 ALA 112 HB1 ALA 112 61.820 18.995 17.179 873 HB2 ALA 112 HB2 ALA 112 60.508 19.216 16.021 874 HB3 ALA 112 HB3 ALA 112 61.997 20.148 15.857 875 H LEU 113 H LEU 113 59.927 17.075 14.642 876 HA LEU 113 HA LEU 113 59.622 15.118 16.630 877 HB2 LEU 113 HB2 LEU 113 58.416 15.638 13.950 878 HB3 LEU 113 HB3 LEU 113 58.154 14.044 14.651 879 HG LEU 113 HG LEU 113 57.696 16.486 16.342 880 HD11 LEU 113 HD11 LEU 113 55.918 15.417 14.149 881 HD12 LEU 113 HD12 LEU 113 56.362 17.091 14.482 882 HD13 LEU 113 HD13 LEU 113 55.241 16.246 15.551 883 HD21 LEU 113 HD21 LEU 113 55.815 14.807 17.088 884 HD22 LEU 113 HD22 LEU 113 57.480 14.509 17.586 885 HD23 LEU 113 HD23 LEU 113 56.794 13.617 16.229 886 H THR 114 H THR 114 60.825 14.820 13.304 887 HA THR 114 HA THR 114 61.225 12.023 13.417 888 HB THR 114 HB THR 114 62.569 12.322 11.385 889 HG1 THR 114 HG1 THR 114 62.244 15.050 11.763 890 HG21 THR 114 HG21 THR 114 59.956 12.646 11.564 891 HG22 THR 114 HG22 THR 114 60.790 13.013 10.054 892 HG23 THR 114 HG23 THR 114 60.343 14.317 11.153 893 H SER 115 H SER 115 63.434 14.727 14.067 894 HA SER 115 HA SER 115 65.767 13.185 14.426 895 HB2 SER 115 HB2 SER 115 65.053 15.809 15.754 896 HB3 SER 115 HB3 SER 115 66.669 15.137 15.562 897 HG SER 115 HG SER 115 65.005 16.274 13.707 898 H ALA 116 H ALA 116 63.294 14.251 16.746 899 HA ALA 116 HA ALA 116 64.569 13.332 19.076 900 HB1 ALA 116 HB1 ALA 116 62.660 14.885 19.106 901 HB2 ALA 116 HB2 ALA 116 62.346 13.472 20.113 902 HB3 ALA 116 HB3 ALA 116 61.606 13.601 18.518 903 H ALA 117 H ALA 117 62.352 11.709 16.832 904 HA ALA 117 HA ALA 117 61.948 9.352 18.293 905 HB1 ALA 117 HB1 ALA 117 62.135 9.619 15.284 906 HB2 ALA 117 HB2 ALA 117 60.699 9.996 16.236 907 HB3 ALA 117 HB3 ALA 117 61.310 8.343 16.180 908 H LEU 118 H LEU 118 64.579 10.300 16.123 909 HA LEU 118 HA LEU 118 65.861 7.803 15.925 910 HB2 LEU 118 HB2 LEU 118 67.072 10.580 15.908 911 HB3 LEU 118 HB3 LEU 118 67.893 9.110 15.382 912 HG LEU 118 HG LEU 118 65.296 10.120 14.189 913 HD11 LEU 118 HD11 LEU 118 67.035 11.704 13.639 914 HD12 LEU 118 HD12 LEU 118 66.781 10.684 12.223 915 HD13 LEU 118 HD13 LEU 118 68.170 10.405 13.273 916 HD21 LEU 118 HD21 LEU 118 65.445 7.790 13.798 917 HD22 LEU 118 HD22 LEU 118 67.195 7.853 13.582 918 HD23 LEU 118 HD23 LEU 118 66.128 8.507 12.338 919 H GLU 119 H GLU 119 66.081 10.342 18.386 920 HA GLU 119 HA GLU 119 68.255 9.269 19.832 921 HB2 GLU 119 HB2 GLU 119 65.910 10.925 20.797 922 HB3 GLU 119 HB3 GLU 119 67.385 10.625 21.718 923 HG2 GLU 119 HG2 GLU 119 68.708 11.650 19.877 924 HG3 GLU 119 HG3 GLU 119 67.210 12.016 19.030 925 H HIS 120 H HIS 120 68.398 7.731 21.397 926 HA HIS 120 HA HIS 120 65.905 6.413 22.289 927 HB2 HIS 120 HB2 HIS 120 68.437 5.070 21.344 928 HB3 HIS 120 HB3 HIS 120 67.135 4.246 22.180 929 HD1 HIS 120 HD1 HIS 120 68.220 5.406 18.861 930 HD2 HIS 120 HD2 HIS 120 64.654 4.141 20.611 931 HE1 HIS 120 HE1 HIS 120 66.633 4.891 16.957 932 H HIS 121 H HIS 121 65.778 6.146 24.427 933 HA HIS 121 HA HIS 121 67.721 7.103 26.224 934 HB2 HIS 121 HB2 HIS 121 65.325 6.832 26.768 935 HB3 HIS 121 HB3 HIS 121 65.524 5.091 26.727 936 HD1 HIS 121 HD1 HIS 121 66.603 3.971 28.767 937 HD2 HIS 121 HD2 HIS 121 66.498 8.129 29.045 938 HE1 HIS 121 HE1 HIS 121 67.225 4.544 31.153 939 H HIS 122 H HIS 122 67.031 3.839 25.028 940 HA HIS 122 HA HIS 122 69.418 2.836 26.456 941 HB2 HIS 122 HB2 HIS 122 67.097 1.346 25.225 942 HB3 HIS 122 HB3 HIS 122 68.474 0.597 26.010 943 HD1 HIS 122 HD1 HIS 122 68.769 1.373 28.647 944 HD2 HIS 122 HD2 HIS 122 65.001 1.863 26.930 945 HE1 HIS 122 HE1 HIS 122 67.134 1.614 30.565 946 H HIS 123 H HIS 123 71.179 2.311 25.334 947 HA HIS 123 HA HIS 123 71.473 2.853 22.594 948 HB2 HIS 123 HB2 HIS 123 73.331 2.764 24.227 949 HB3 HIS 123 HB3 HIS 123 73.140 1.024 24.324 950 HD1 HIS 123 HD1 HIS 123 73.749 3.623 21.588 951 HD2 HIS 123 HD2 HIS 123 74.842 -0.273 22.593 952 HE1 HIS 123 HE1 HIS 123 75.396 2.864 19.822 953 H HIS 124 H HIS 124 70.851 -0.177 24.319 954 HA HIS 124 HA HIS 124 70.547 -1.565 21.727 955 HB2 HIS 124 HB2 HIS 124 70.930 -2.669 24.512 956 HB3 HIS 124 HB3 HIS 124 70.714 -3.637 23.066 957 HD1 HIS 124 HD1 HIS 124 72.653 -3.130 21.144 958 HD2 HIS 124 HD2 HIS 124 73.566 -2.156 25.092 959 HE1 HIS 124 HE1 HIS 124 75.173 -2.930 21.266 960 H HIS 125 H HIS 125 68.624 -2.425 21.143 961 HA HIS 125 HA HIS 125 66.430 -2.476 23.104 962 HB2 HIS 125 HB2 HIS 125 66.311 -0.326 21.884 963 HB3 HIS 125 HB3 HIS 125 66.245 -1.206 20.369 964 HD1 HIS 125 HD1 HIS 125 64.002 -2.257 19.702 965 HD2 HIS 125 HD2 HIS 125 63.916 -0.460 23.463 966 HE1 HIS 125 HE1 HIS 125 61.569 -2.160 20.392 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 57.946 7.292 6.780 2 H2 MET 1 HT2 MET 1 58.190 8.899 6.285 3 H3 MET 1 HT3 MET 1 56.619 8.332 6.594 4 HA MET 1 HA MET 1 57.678 7.823 8.945 5 HB2 MET 1 HB2 MET 1 59.206 10.184 7.810 6 HB3 MET 1 HB3 MET 1 59.159 9.758 9.522 7 HG2 MET 1 HG2 MET 1 60.073 7.510 8.956 8 HG3 MET 1 HG3 MET 1 60.205 8.016 7.272 9 HE1 MET 1 HE1 MET 1 63.899 7.999 8.283 10 HE2 MET 1 HE2 MET 1 62.663 7.467 7.146 11 HE3 MET 1 HE3 MET 1 62.634 6.879 8.806 12 H ASP 2 H ASP 2 55.704 8.251 9.741 13 HA ASP 2 HA ASP 2 54.661 11.013 9.491 14 HB2 ASP 2 HB2 ASP 2 53.039 8.459 9.558 15 HB3 ASP 2 HB3 ASP 2 52.400 10.097 9.441 16 HA PRO 3 HA PRO 3 55.414 9.916 13.940 17 HB2 PRO 3 HB2 PRO 3 55.616 12.546 14.788 18 HB3 PRO 3 HB3 PRO 3 56.982 11.558 14.235 19 HG2 PRO 3 HG2 PRO 3 55.412 13.602 12.755 20 HG3 PRO 3 HG3 PRO 3 57.156 13.276 12.733 21 HD2 PRO 3 HD2 PRO 3 55.552 12.441 10.735 22 HD3 PRO 3 HD3 PRO 3 56.945 11.475 11.271 23 H LYS 4 H LYS 4 54.064 10.174 15.797 24 HA LYS 4 HA LYS 4 51.356 11.172 15.169 25 HB2 LYS 4 HB2 LYS 4 52.321 9.220 17.277 26 HB3 LYS 4 HB3 LYS 4 50.646 9.721 17.056 27 HG2 LYS 4 HG2 LYS 4 50.730 8.855 14.720 28 HG3 LYS 4 HG3 LYS 4 52.366 8.270 15.024 29 HD2 LYS 4 HD2 LYS 4 51.476 6.902 16.913 30 HD3 LYS 4 HD3 LYS 4 49.846 7.413 16.474 31 HE2 LYS 4 HE2 LYS 4 50.017 6.359 14.313 32 HE3 LYS 4 HE3 LYS 4 51.732 6.029 14.551 33 HZ1 LYS 4 HZ1 LYS 4 49.502 4.893 16.151 34 HZ2 LYS 4 HZ2 LYS 4 51.155 4.593 16.413 35 HZ3 LYS 4 HZ3 LYS 4 50.408 4.065 14.980 36 H VAL 5 H VAL 5 50.458 12.820 16.352 37 HA VAL 5 HA VAL 5 51.812 13.610 18.860 38 HB VAL 5 HB VAL 5 51.343 16.002 18.270 39 HG11 VAL 5 HG11 VAL 5 53.313 14.258 16.829 40 HG12 VAL 5 HG12 VAL 5 53.592 15.440 18.110 41 HG13 VAL 5 HG13 VAL 5 53.255 15.984 16.466 42 HG21 VAL 5 HG21 VAL 5 49.712 15.757 16.505 43 HG22 VAL 5 HG22 VAL 5 50.810 14.753 15.559 44 HG23 VAL 5 HG23 VAL 5 51.163 16.464 15.792 45 H LEU 6 H LEU 6 50.585 14.327 20.480 46 HA LEU 6 HA LEU 6 47.669 14.031 20.168 47 HB2 LEU 6 HB2 LEU 6 48.849 12.663 21.906 48 HB3 LEU 6 HB3 LEU 6 49.279 14.164 22.725 49 HG LEU 6 HG LEU 6 46.731 14.681 22.632 50 HD11 LEU 6 HD11 LEU 6 46.459 11.691 22.624 51 HD12 LEU 6 HD12 LEU 6 46.497 12.555 21.088 52 HD13 LEU 6 HD13 LEU 6 45.247 12.923 22.275 53 HD21 LEU 6 HD21 LEU 6 46.399 13.520 24.755 54 HD22 LEU 6 HD22 LEU 6 48.050 14.138 24.683 55 HD23 LEU 6 HD23 LEU 6 47.737 12.427 24.395 56 H ILE 7 H ILE 7 46.305 15.704 20.511 57 HA ILE 7 HA ILE 7 47.533 18.345 20.961 58 HB ILE 7 HB ILE 7 44.766 17.702 19.910 59 HG12 ILE 7 HG12 ILE 7 47.145 18.641 18.295 60 HG13 ILE 7 HG13 ILE 7 46.746 16.930 18.455 61 HG21 ILE 7 HG21 ILE 7 44.861 20.061 19.136 62 HG22 ILE 7 HG22 ILE 7 46.422 20.244 19.934 63 HG23 ILE 7 HG23 ILE 7 44.974 19.940 20.892 64 HD11 ILE 7 HD11 ILE 7 44.715 17.155 17.328 65 HD12 ILE 7 HD12 ILE 7 45.758 18.269 16.440 66 HD13 ILE 7 HD13 ILE 7 44.618 18.889 17.633 67 H MET 8 H MET 8 47.122 19.496 22.722 68 HA MET 8 HA MET 8 45.004 18.629 24.571 69 HB2 MET 8 HB2 MET 8 47.366 20.487 24.946 70 HB3 MET 8 HB3 MET 8 46.174 20.115 26.192 71 HG2 MET 8 HG2 MET 8 46.735 17.676 25.892 72 HG3 MET 8 HG3 MET 8 48.054 18.170 24.829 73 HE1 MET 8 HE1 MET 8 46.681 19.828 28.286 74 HE2 MET 8 HE2 MET 8 47.561 18.702 29.317 75 HE3 MET 8 HE3 MET 8 46.428 18.085 28.120 76 H ARG 9 H ARG 9 43.257 19.910 24.992 77 HA ARG 9 HA ARG 9 42.467 21.793 23.078 78 HB2 ARG 9 HB2 ARG 9 41.459 21.376 25.900 79 HB3 ARG 9 HB3 ARG 9 40.653 22.373 24.688 80 HG2 ARG 9 HG2 ARG 9 40.515 20.389 23.191 81 HG3 ARG 9 HG3 ARG 9 41.231 19.404 24.467 82 HD2 ARG 9 HD2 ARG 9 38.835 19.138 24.599 83 HD3 ARG 9 HD3 ARG 9 39.345 20.114 25.974 84 HE ARG 9 HE ARG 9 38.734 22.011 24.183 85 HH11 ARG 9 HH11 ARG 9 36.934 19.143 25.108 86 HH12 ARG 9 HH12 ARG 9 35.401 19.873 24.767 87 HH21 ARG 9 HH21 ARG 9 36.731 22.898 23.760 88 HH22 ARG 9 HH22 ARG 9 35.289 21.973 24.014 89 H GLY 10 H GLY 10 42.339 24.009 23.060 90 HA2 GLY 10 HA2 GLY 10 43.536 25.590 25.188 91 HA3 GLY 10 HA3 GLY 10 44.445 25.546 23.679 92 H GLU 11 H GLU 11 43.688 27.972 24.357 93 HA GLU 11 HA GLU 11 41.147 28.925 23.837 94 HB2 GLU 11 HB2 GLU 11 43.071 30.265 24.691 95 HB3 GLU 11 HB3 GLU 11 43.721 30.303 23.051 96 HG2 GLU 11 HG2 GLU 11 41.597 31.342 22.269 97 HG3 GLU 11 HG3 GLU 11 41.028 31.378 23.932 98 H GLY 12 H GLY 12 43.608 27.934 21.515 99 HA2 GLY 12 HA2 GLY 12 42.297 29.063 19.224 100 HA3 GLY 12 HA3 GLY 12 43.598 27.875 19.202 101 H GLY 13 H GLY 13 41.794 27.432 17.346 102 HA2 GLY 13 HA2 GLY 13 39.621 25.760 18.341 103 HA3 GLY 13 HA3 GLY 13 39.910 26.211 16.664 104 H ARG 14 H ARG 14 39.634 23.595 18.408 105 HA ARG 14 HA ARG 14 41.952 22.057 18.139 106 HB2 ARG 14 HB2 ARG 14 39.046 21.222 17.972 107 HB3 ARG 14 HB3 ARG 14 40.396 20.100 18.127 108 HG2 ARG 14 HG2 ARG 14 41.055 21.233 20.244 109 HG3 ARG 14 HG3 ARG 14 39.631 22.267 20.106 110 HD2 ARG 14 HD2 ARG 14 39.632 19.244 20.338 111 HD3 ARG 14 HD3 ARG 14 39.155 20.382 21.594 112 HE ARG 14 HE ARG 14 37.611 20.901 19.302 113 HH11 ARG 14 HH11 ARG 14 37.968 18.366 21.703 114 HH12 ARG 14 HH12 ARG 14 36.324 17.846 21.544 115 HH21 ARG 14 HH21 ARG 14 35.505 20.188 19.141 116 HH22 ARG 14 HH22 ARG 14 34.947 18.866 20.110 117 H GLU 15 H GLU 15 39.290 22.605 15.854 118 HA GLU 15 HA GLU 15 40.086 20.707 13.933 119 HB2 GLU 15 HB2 GLU 15 37.849 21.818 14.039 120 HB3 GLU 15 HB3 GLU 15 38.600 23.292 13.426 121 HG2 GLU 15 HG2 GLU 15 39.383 22.023 11.431 122 HG3 GLU 15 HG3 GLU 15 38.537 20.603 12.028 123 H PHE 16 H PHE 16 40.891 24.154 14.283 124 HA PHE 16 HA PHE 16 42.138 24.450 11.770 125 HB2 PHE 16 HB2 PHE 16 41.413 26.320 13.217 126 HB3 PHE 16 HB3 PHE 16 42.708 25.935 14.336 127 HD1 PHE 16 HD1 PHE 16 41.907 27.211 10.956 128 HD2 PHE 16 HD2 PHE 16 44.984 26.579 13.886 129 HE1 PHE 16 HE1 PHE 16 43.442 28.662 9.656 130 HE2 PHE 16 HE2 PHE 16 46.519 28.030 12.586 131 HZ PHE 16 HZ PHE 16 45.748 29.071 10.471 132 H LEU 17 H LEU 17 43.627 23.953 14.990 133 HA LEU 17 HA LEU 17 46.277 23.894 14.023 134 HB2 LEU 17 HB2 LEU 17 45.543 24.231 16.414 135 HB3 LEU 17 HB3 LEU 17 45.258 22.494 16.502 136 HG LEU 17 HG LEU 17 47.914 23.463 15.492 137 HD11 LEU 17 HD11 LEU 17 47.065 23.357 18.401 138 HD12 LEU 17 HD12 LEU 17 47.634 24.774 17.517 139 HD13 LEU 17 HD13 LEU 17 48.741 23.445 17.860 140 HD21 LEU 17 HD21 LEU 17 46.779 21.039 16.868 141 HD22 LEU 17 HD22 LEU 17 48.510 21.367 16.965 142 HD23 LEU 17 HD23 LEU 17 47.744 21.129 15.395 143 H ALA 18 H ALA 18 43.965 21.268 14.659 144 HA ALA 18 HA ALA 18 45.766 19.153 14.222 145 HB1 ALA 18 HB1 ALA 18 43.498 17.947 13.584 146 HB2 ALA 18 HB2 ALA 18 42.786 19.431 14.217 147 HB3 ALA 18 HB3 ALA 18 43.815 18.436 15.247 148 H GLU 19 H GLU 19 43.621 20.895 11.988 149 HA GLU 19 HA GLU 19 44.004 19.244 9.752 150 HB2 GLU 19 HB2 GLU 19 42.280 21.051 9.952 151 HB3 GLU 19 HB3 GLU 19 43.566 22.239 9.732 152 HG2 GLU 19 HG2 GLU 19 44.147 21.161 7.564 153 HG3 GLU 19 HG3 GLU 19 42.793 20.059 7.773 154 H ARG 20 H ARG 20 45.847 22.046 10.931 155 HA ARG 20 HA ARG 20 47.564 22.318 8.732 156 HB2 ARG 20 HB2 ARG 20 47.349 23.940 10.616 157 HB3 ARG 20 HB3 ARG 20 48.265 22.824 11.630 158 HG2 ARG 20 HG2 ARG 20 50.146 22.924 10.016 159 HG3 ARG 20 HG3 ARG 20 49.238 24.091 9.053 160 HD2 ARG 20 HD2 ARG 20 49.137 25.589 11.053 161 HD3 ARG 20 HD3 ARG 20 50.170 24.452 11.912 162 HE ARG 20 HE ARG 20 51.979 25.130 10.592 163 HH11 ARG 20 HH11 ARG 20 49.034 26.642 9.420 164 HH12 ARG 20 HH12 ARG 20 49.892 27.764 8.419 165 HH21 ARG 20 HH21 ARG 20 53.026 26.599 9.282 166 HH22 ARG 20 HH22 ARG 20 52.122 27.739 8.342 167 H LEU 21 H LEU 21 48.103 20.455 11.754 168 HA LEU 21 HA LEU 21 50.644 19.489 10.982 169 HB2 LEU 21 HB2 LEU 21 48.620 18.503 12.981 170 HB3 LEU 21 HB3 LEU 21 50.143 17.657 12.707 171 HG LEU 21 HG LEU 21 50.045 20.618 13.303 172 HD11 LEU 21 HD11 LEU 21 50.563 20.012 15.653 173 HD12 LEU 21 HD12 LEU 21 50.322 18.312 15.255 174 HD13 LEU 21 HD13 LEU 21 48.968 19.438 15.170 175 HD21 LEU 21 HD21 LEU 21 52.403 19.820 14.238 176 HD22 LEU 21 HD22 LEU 21 52.184 20.122 12.515 177 HD23 LEU 21 HD23 LEU 21 52.141 18.471 13.133 178 H ARG 22 H ARG 22 47.390 18.200 10.446 179 HA ARG 22 HA ARG 22 48.161 15.674 9.459 180 HB2 ARG 22 HB2 ARG 22 45.845 16.280 10.131 181 HB3 ARG 22 HB3 ARG 22 45.728 17.313 8.709 182 HG2 ARG 22 HG2 ARG 22 44.711 15.273 8.059 183 HG3 ARG 22 HG3 ARG 22 46.318 15.212 7.340 184 HD2 ARG 22 HD2 ARG 22 47.109 13.874 9.281 185 HD3 ARG 22 HD3 ARG 22 45.475 13.896 9.937 186 HE ARG 22 HE ARG 22 44.830 12.362 8.300 187 HH11 ARG 22 HH11 ARG 22 48.095 13.468 7.634 188 HH12 ARG 22 HH12 ARG 22 48.372 12.245 6.439 189 HH21 ARG 22 HH21 ARG 22 45.245 10.811 6.751 190 HH22 ARG 22 HH22 ARG 22 46.777 10.760 5.946 191 H GLY 23 H GLY 23 47.585 18.761 7.797 192 HA2 GLY 23 HA2 GLY 23 47.879 17.838 5.165 193 HA3 GLY 23 HA3 GLY 23 48.178 19.488 5.697 194 H GLN 24 H GLN 24 50.309 18.703 7.572 195 HA GLN 24 HA GLN 24 52.456 18.541 5.626 196 HB2 GLN 24 HB2 GLN 24 52.480 18.972 8.612 197 HB3 GLN 24 HB3 GLN 24 53.918 18.994 7.588 198 HG2 GLN 24 HG2 GLN 24 52.978 20.816 6.253 199 HG3 GLN 24 HG3 GLN 24 51.497 20.775 7.206 200 HE21 GLN 24 HE21 GLN 24 53.091 23.139 7.017 201 HE22 GLN 24 HE22 GLN 24 53.761 23.456 8.543 202 H GLY 25 H GLY 25 50.748 16.085 6.929 203 HA2 GLY 25 HA2 GLY 25 51.334 13.852 6.428 204 HA3 GLY 25 HA3 GLY 25 53.028 14.305 6.478 205 H VAL 26 H VAL 26 51.274 15.486 9.184 206 HA VAL 26 HA VAL 26 52.408 13.342 10.854 207 HB VAL 26 HB VAL 26 51.306 16.044 11.672 208 HG11 VAL 26 HG11 VAL 26 51.252 14.234 13.411 209 HG12 VAL 26 HG12 VAL 26 52.329 15.569 13.825 210 HG13 VAL 26 HG13 VAL 26 52.996 14.054 13.215 211 HG21 VAL 26 HG21 VAL 26 53.288 16.470 10.419 212 HG22 VAL 26 HG22 VAL 26 54.106 15.058 11.088 213 HG23 VAL 26 HG23 VAL 26 53.806 16.468 12.105 214 H GLN 27 H GLN 27 51.141 12.046 12.114 215 HA GLN 27 HA GLN 27 48.308 11.941 11.502 216 HB2 GLN 27 HB2 GLN 27 49.990 10.314 13.422 217 HB3 GLN 27 HB3 GLN 27 48.311 9.973 13.007 218 HG2 GLN 27 HG2 GLN 27 49.013 9.793 10.601 219 HG3 GLN 27 HG3 GLN 27 50.689 9.949 11.128 220 HE21 GLN 27 HE21 GLN 27 51.708 8.091 12.043 221 HE22 GLN 27 HE22 GLN 27 50.919 6.599 12.223 222 H VAL 28 H VAL 28 46.663 12.657 12.790 223 HA VAL 28 HA VAL 28 47.492 14.141 15.226 224 HB VAL 28 HB VAL 28 45.315 14.870 13.252 225 HG11 VAL 28 HG11 VAL 28 44.672 15.807 15.305 226 HG12 VAL 28 HG12 VAL 28 45.625 17.098 14.578 227 HG13 VAL 28 HG13 VAL 28 46.338 16.069 15.817 228 HG21 VAL 28 HG21 VAL 28 46.804 16.652 12.529 229 HG22 VAL 28 HG22 VAL 28 47.659 15.118 12.371 230 HG23 VAL 28 HG23 VAL 28 48.008 16.186 13.730 231 H ASP 29 H ASP 29 46.570 13.565 17.049 232 HA ASP 29 HA ASP 29 43.724 12.792 17.016 233 HB2 ASP 29 HB2 ASP 29 45.129 10.740 17.287 234 HB3 ASP 29 HB3 ASP 29 45.824 11.455 18.740 235 H TYR 30 H TYR 30 42.539 13.892 18.544 236 HA TYR 30 HA TYR 30 44.078 15.571 20.444 237 HB2 TYR 30 HB2 TYR 30 42.351 17.206 20.310 238 HB3 TYR 30 HB3 TYR 30 42.849 16.794 18.682 239 HD1 TYR 30 HD1 TYR 30 40.122 16.907 21.064 240 HD2 TYR 30 HD2 TYR 30 41.376 15.316 17.276 241 HE1 TYR 30 HE1 TYR 30 37.758 16.422 20.486 242 HE2 TYR 30 HE2 TYR 30 39.012 14.831 16.698 243 HH TYR 30 HH TYR 30 36.410 15.992 18.562 244 H LEU 31 H LEU 31 43.571 15.574 22.563 245 HA LEU 31 HA LEU 31 41.550 13.609 23.461 246 HB2 LEU 31 HB2 LEU 31 43.851 12.865 23.842 247 HB3 LEU 31 HB3 LEU 31 44.195 14.349 24.726 248 HG LEU 31 HG LEU 31 42.338 13.709 26.330 249 HD11 LEU 31 HD11 LEU 31 41.767 11.254 26.331 250 HD12 LEU 31 HD12 LEU 31 42.522 11.137 24.739 251 HD13 LEU 31 HD13 LEU 31 41.094 12.149 24.967 252 HD21 LEU 31 HD21 LEU 31 44.875 13.240 26.578 253 HD22 LEU 31 HD22 LEU 31 44.459 11.569 26.198 254 HD23 LEU 31 HD23 LEU 31 43.770 12.347 27.623 255 HA PRO 32 HA PRO 32 39.960 17.523 25.327 256 HB2 PRO 32 HB2 PRO 32 38.125 15.618 26.699 257 HB3 PRO 32 HB3 PRO 32 37.752 17.114 25.820 258 HG2 PRO 32 HG2 PRO 32 37.248 14.730 24.765 259 HG3 PRO 32 HG3 PRO 32 37.805 16.088 23.770 260 HD2 PRO 32 HD2 PRO 32 39.332 13.693 24.702 261 HD3 PRO 32 HD3 PRO 32 39.475 14.604 23.183 262 H LEU 33 H LEU 33 40.595 18.491 27.170 263 HA LEU 33 HA LEU 33 42.346 17.214 28.956 264 HB2 LEU 33 HB2 LEU 33 40.836 19.809 29.324 265 HB3 LEU 33 HB3 LEU 33 42.256 19.305 30.239 266 HG LEU 33 HG LEU 33 42.200 19.652 27.227 267 HD11 LEU 33 HD11 LEU 33 43.885 21.601 28.097 268 HD12 LEU 33 HD12 LEU 33 42.752 21.565 29.446 269 HD13 LEU 33 HD13 LEU 33 42.166 21.868 27.816 270 HD21 LEU 33 HD21 LEU 33 44.715 19.619 27.610 271 HD22 LEU 33 HD22 LEU 33 43.896 18.080 27.850 272 HD23 LEU 33 HD23 LEU 33 44.376 19.052 29.244 273 H ASP 34 H ASP 34 38.969 16.952 28.941 274 HA ASP 34 HA ASP 34 38.561 16.927 31.785 275 HB2 ASP 34 HB2 ASP 34 36.838 15.939 29.511 276 HB3 ASP 34 HB3 ASP 34 36.325 16.034 31.194 277 H TYR 35 H TYR 35 39.977 14.610 29.711 278 HA TYR 35 HA TYR 35 38.872 12.228 30.719 279 HB2 TYR 35 HB2 TYR 35 41.352 12.977 29.260 280 HB3 TYR 35 HB3 TYR 35 41.328 11.405 30.035 281 HD1 TYR 35 HD1 TYR 35 40.437 9.586 28.886 282 HD2 TYR 35 HD2 TYR 35 39.263 13.564 27.772 283 HE1 TYR 35 HE1 TYR 35 39.159 8.670 26.969 284 HE2 TYR 35 HE2 TYR 35 37.984 12.649 25.853 285 HH TYR 35 HH TYR 35 37.087 10.646 25.056 286 HA PRO 36 HA PRO 36 40.720 12.207 34.752 287 HB2 PRO 36 HB2 PRO 36 40.578 9.596 35.454 288 HB3 PRO 36 HB3 PRO 36 39.134 10.618 35.303 289 HG2 PRO 36 HG2 PRO 36 40.236 8.613 33.402 290 HG3 PRO 36 HG3 PRO 36 38.551 8.951 33.839 291 HD2 PRO 36 HD2 PRO 36 39.733 9.886 31.538 292 HD3 PRO 36 HD3 PRO 36 38.362 10.679 32.336 293 H ALA 37 H ALA 37 42.544 11.510 36.020 294 HA ALA 37 HA ALA 37 44.967 11.455 34.673 295 HB1 ALA 37 HB1 ALA 37 45.826 10.485 36.930 296 HB2 ALA 37 HB2 ALA 37 44.160 10.708 37.466 297 HB3 ALA 37 HB3 ALA 37 45.102 12.093 36.914 298 H GLY 38 H GLY 38 46.570 9.824 34.413 299 HA2 GLY 38 HA2 GLY 38 47.303 7.587 34.211 300 HA3 GLY 38 HA3 GLY 38 45.652 7.043 34.484 301 H GLU 39 H GLU 39 44.444 8.829 32.507 302 HA GLU 39 HA GLU 39 44.539 7.096 30.294 303 HB2 GLU 39 HB2 GLU 39 43.559 9.951 30.487 304 HB3 GLU 39 HB3 GLU 39 43.267 8.884 29.113 305 HG2 GLU 39 HG2 GLU 39 42.427 8.329 31.973 306 HG3 GLU 39 HG3 GLU 39 41.361 8.880 30.687 307 H LEU 40 H LEU 40 46.283 10.097 30.979 308 HA LEU 40 HA LEU 40 47.252 10.614 28.391 309 HB2 LEU 40 HB2 LEU 40 47.419 12.184 30.319 310 HB3 LEU 40 HB3 LEU 40 48.659 11.144 31.021 311 HG LEU 40 HG LEU 40 49.949 11.423 28.837 312 HD11 LEU 40 HD11 LEU 40 47.802 13.529 28.478 313 HD12 LEU 40 HD12 LEU 40 48.200 12.205 27.382 314 HD13 LEU 40 HD13 LEU 40 49.327 13.544 27.595 315 HD21 LEU 40 HD21 LEU 40 50.954 13.463 29.575 316 HD22 LEU 40 HD22 LEU 40 50.337 12.683 31.032 317 HD23 LEU 40 HD23 LEU 40 49.448 14.021 30.306 318 H LEU 41 H LEU 41 48.603 8.662 31.037 319 HA LEU 41 HA LEU 41 51.048 8.034 29.774 320 HB2 LEU 41 HB2 LEU 41 50.516 7.713 32.210 321 HB3 LEU 41 HB3 LEU 41 49.538 6.318 31.757 322 HG LEU 41 HG LEU 41 51.723 5.566 30.487 323 HD11 LEU 41 HD11 LEU 41 53.171 7.387 30.745 324 HD12 LEU 41 HD12 LEU 41 53.693 6.313 32.042 325 HD13 LEU 41 HD13 LEU 41 52.652 7.691 32.402 326 HD21 LEU 41 HD21 LEU 41 51.049 5.395 33.409 327 HD22 LEU 41 HD22 LEU 41 52.556 4.679 32.835 328 HD23 LEU 41 HD23 LEU 41 51.014 4.131 32.179 329 H ALA 42 H ALA 42 47.919 6.347 29.812 330 HA ALA 42 HA ALA 42 48.809 4.021 28.486 331 HB1 ALA 42 HB1 ALA 42 46.592 3.370 28.456 332 HB2 ALA 42 HB2 ALA 42 46.008 4.997 28.106 333 HB3 ALA 42 HB3 ALA 42 46.545 4.582 29.734 334 H ARG 43 H ARG 43 47.359 7.010 27.215 335 HA ARG 43 HA ARG 43 47.223 6.187 24.521 336 HB2 ARG 43 HB2 ARG 43 47.634 8.971 25.642 337 HB3 ARG 43 HB3 ARG 43 47.154 8.598 23.988 338 HG2 ARG 43 HG2 ARG 43 45.577 7.739 26.427 339 HG3 ARG 43 HG3 ARG 43 45.235 9.201 25.507 340 HD2 ARG 43 HD2 ARG 43 44.974 7.771 23.458 341 HD3 ARG 43 HD3 ARG 43 45.143 6.350 24.483 342 HE ARG 43 HE ARG 43 43.128 7.975 25.571 343 HH11 ARG 43 HH11 ARG 43 43.654 6.014 22.706 344 HH12 ARG 43 HH12 ARG 43 41.965 5.686 22.501 345 HH21 ARG 43 HH21 ARG 43 40.969 7.519 25.254 346 HH22 ARG 43 HH22 ARG 43 40.466 6.528 23.925 347 H VAL 44 H VAL 44 49.841 7.710 26.372 348 HA VAL 44 HA VAL 44 51.491 8.300 24.168 349 HB VAL 44 HB VAL 44 52.232 7.742 27.051 350 HG11 VAL 44 HG11 VAL 44 54.167 7.577 25.463 351 HG12 VAL 44 HG12 VAL 44 54.310 8.921 26.595 352 HG13 VAL 44 HG13 VAL 44 53.817 9.220 24.928 353 HG21 VAL 44 HG21 VAL 44 50.605 9.690 26.307 354 HG22 VAL 44 HG22 VAL 44 52.095 10.457 25.771 355 HG23 VAL 44 HG23 VAL 44 51.895 10.009 27.464 356 H ARG 45 H ARG 45 51.367 5.427 26.283 357 HA ARG 45 HA ARG 45 53.633 4.240 24.980 358 HB2 ARG 45 HB2 ARG 45 53.239 2.324 26.413 359 HB3 ARG 45 HB3 ARG 45 53.113 3.811 27.347 360 HG2 ARG 45 HG2 ARG 45 50.613 3.702 27.027 361 HG3 ARG 45 HG3 ARG 45 50.834 2.104 26.309 362 HD2 ARG 45 HD2 ARG 45 51.994 1.379 28.401 363 HD3 ARG 45 HD3 ARG 45 51.614 2.945 29.114 364 HE ARG 45 HE ARG 45 49.180 2.113 28.371 365 HH11 ARG 45 HH11 ARG 45 51.716 0.367 30.058 366 HH12 ARG 45 HH12 ARG 45 50.593 -0.643 30.906 367 HH21 ARG 45 HH21 ARG 45 47.783 0.783 29.490 368 HH22 ARG 45 HH22 ARG 45 48.395 -0.411 30.587 369 H ALA 46 H ALA 46 50.123 3.689 24.777 370 HA ALA 46 HA ALA 46 50.335 1.345 23.186 371 HB1 ALA 46 HB1 ALA 46 47.895 1.838 22.692 372 HB2 ALA 46 HB2 ALA 46 48.074 3.275 23.700 373 HB3 ALA 46 HB3 ALA 46 48.315 1.672 24.397 374 H GLU 47 H GLU 47 49.761 4.768 22.359 375 HA GLU 47 HA GLU 47 49.581 4.150 19.539 376 HB2 GLU 47 HB2 GLU 47 49.648 6.787 21.012 377 HB3 GLU 47 HB3 GLU 47 49.362 6.605 19.281 378 HG2 GLU 47 HG2 GLU 47 47.677 5.353 21.468 379 HG3 GLU 47 HG3 GLU 47 47.242 6.792 20.554 380 H ARG 48 H ARG 48 52.227 4.633 21.629 381 HA ARG 48 HA ARG 48 54.453 5.084 21.273 382 HB2 ARG 48 HB2 ARG 48 54.063 3.240 19.582 383 HB3 ARG 48 HB3 ARG 48 53.847 4.498 18.366 384 HG2 ARG 48 HG2 ARG 48 56.112 5.375 18.899 385 HG3 ARG 48 HG3 ARG 48 56.324 4.066 20.062 386 HD2 ARG 48 HD2 ARG 48 55.963 2.425 18.219 387 HD3 ARG 48 HD3 ARG 48 55.881 3.765 17.080 388 HE ARG 48 HE ARG 48 58.250 4.221 18.247 389 HH11 ARG 48 HH11 ARG 48 56.917 1.230 16.982 390 HH12 ARG 48 HH12 ARG 48 58.476 0.587 16.585 391 HH21 ARG 48 HH21 ARG 48 60.229 3.341 17.715 392 HH22 ARG 48 HH22 ARG 48 60.326 1.768 16.995 393 H LEU 49 H LEU 49 53.229 7.319 21.658 394 HA LEU 49 HA LEU 49 53.047 9.090 19.414 395 HB2 LEU 49 HB2 LEU 49 53.078 9.687 22.382 396 HB3 LEU 49 HB3 LEU 49 52.686 10.852 21.120 397 HG LEU 49 HG LEU 49 51.193 8.249 21.554 398 HD11 LEU 49 HD11 LEU 49 51.077 10.185 23.349 399 HD12 LEU 49 HD12 LEU 49 49.594 9.409 22.797 400 HD13 LEU 49 HD13 LEU 49 50.068 10.975 22.140 401 HD21 LEU 49 HD21 LEU 49 49.498 9.706 20.149 402 HD22 LEU 49 HD22 LEU 49 50.806 8.857 19.328 403 HD23 LEU 49 HD23 LEU 49 50.953 10.581 19.668 404 H ASN 50 H ASN 50 54.328 10.780 18.821 405 HA ASN 50 HA ASN 50 57.153 10.541 19.561 406 HB2 ASN 50 HB2 ASN 50 55.723 11.975 17.318 407 HB3 ASN 50 HB3 ASN 50 57.452 12.125 17.617 408 HD21 ASN 50 HD21 ASN 50 58.804 10.455 16.863 409 HD22 ASN 50 HD22 ASN 50 58.225 9.061 16.093 410 H GLY 51 H GLY 51 54.484 12.892 19.486 411 HA2 GLY 51 HA2 GLY 51 55.995 14.609 21.319 412 HA3 GLY 51 HA3 GLY 51 55.621 15.294 19.747 413 H LEU 52 H LEU 52 54.803 16.532 21.988 414 HA LEU 52 HA LEU 52 51.865 16.157 21.954 415 HB2 LEU 52 HB2 LEU 52 53.534 17.077 24.309 416 HB3 LEU 52 HB3 LEU 52 51.785 16.867 24.286 417 HG LEU 52 HG LEU 52 53.792 14.645 23.805 418 HD11 LEU 52 HD11 LEU 52 53.858 15.430 26.133 419 HD12 LEU 52 HD12 LEU 52 53.075 13.853 26.045 420 HD13 LEU 52 HD13 LEU 52 52.102 15.311 26.235 421 HD21 LEU 52 HD21 LEU 52 51.728 13.227 24.158 422 HD22 LEU 52 HD22 LEU 52 51.694 14.194 22.683 423 HD23 LEU 52 HD23 LEU 52 50.774 14.709 24.097 424 H VAL 53 H VAL 53 50.635 18.047 21.820 425 HA VAL 53 HA VAL 53 52.161 20.569 21.454 426 HB VAL 53 HB VAL 53 49.644 19.705 20.001 427 HG11 VAL 53 HG11 VAL 53 51.402 22.164 19.828 428 HG12 VAL 53 HG12 VAL 53 49.677 22.096 20.187 429 HG13 VAL 53 HG13 VAL 53 50.256 21.716 18.565 430 HG21 VAL 53 HG21 VAL 53 52.319 20.149 18.698 431 HG22 VAL 53 HG22 VAL 53 50.943 19.214 18.120 432 HG23 VAL 53 HG23 VAL 53 51.953 18.581 19.415 433 H VAL 54 H VAL 54 51.596 22.169 22.815 434 HA VAL 54 HA VAL 54 48.792 22.269 23.764 435 HB VAL 54 HB VAL 54 49.659 23.409 25.822 436 HG11 VAL 54 HG11 VAL 54 50.652 21.162 26.741 437 HG12 VAL 54 HG12 VAL 54 50.193 20.538 25.155 438 HG13 VAL 54 HG13 VAL 54 48.971 21.239 26.217 439 HG21 VAL 54 HG21 VAL 54 51.936 23.391 26.387 440 HG22 VAL 54 HG22 VAL 54 51.963 23.809 24.674 441 HG23 VAL 54 HG23 VAL 54 52.324 22.161 25.184 442 H SER 55 H SER 55 47.900 24.322 24.033 443 HA SER 55 HA SER 55 49.391 26.536 22.746 444 HB2 SER 55 HB2 SER 55 46.558 25.625 22.390 445 HB3 SER 55 HB3 SER 55 46.994 27.310 22.120 446 HG SER 55 HG SER 55 48.369 25.180 20.969 447 H SER 56 H SER 56 48.443 25.631 25.737 448 HA SER 56 HA SER 56 48.168 28.395 26.600 449 HB2 SER 56 HB2 SER 56 46.046 28.136 27.708 450 HB3 SER 56 HB3 SER 56 45.840 27.675 26.021 451 HG SER 56 HG SER 56 45.013 26.028 27.136 452 H GLY 57 H GLY 57 48.551 28.712 28.804 453 HA2 GLY 57 HA2 GLY 57 50.269 26.937 30.122 454 HA3 GLY 57 HA3 GLY 57 49.389 28.250 30.900 455 H GLN 58 H GLN 58 46.749 27.353 30.357 456 HA GLN 58 HA GLN 58 46.273 25.683 32.555 457 HB2 GLN 58 HB2 GLN 58 44.553 26.224 30.123 458 HB3 GLN 58 HB3 GLN 58 43.987 25.426 31.591 459 HG2 GLN 58 HG2 GLN 58 44.529 27.403 32.919 460 HG3 GLN 58 HG3 GLN 58 45.195 28.204 31.499 461 HE21 GLN 58 HE21 GLN 58 43.021 29.340 32.984 462 HE22 GLN 58 HE22 GLN 58 41.639 29.322 31.999 463 H GLY 59 H GLY 59 46.567 24.923 29.096 464 HA2 GLY 59 HA2 GLY 59 45.835 22.211 29.235 465 HA3 GLY 59 HA3 GLY 59 46.864 22.925 27.997 466 H LEU 60 H LEU 60 49.030 23.773 29.446 467 HA LEU 60 HA LEU 60 50.585 21.449 29.589 468 HB2 LEU 60 HB2 LEU 60 51.471 23.754 29.273 469 HB3 LEU 60 HB3 LEU 60 51.129 24.088 30.971 470 HG LEU 60 HG LEU 60 52.578 22.106 31.564 471 HD11 LEU 60 HD11 LEU 60 52.923 22.172 28.581 472 HD12 LEU 60 HD12 LEU 60 52.719 20.783 29.647 473 HD13 LEU 60 HD13 LEU 60 54.262 21.635 29.595 474 HD21 LEU 60 HD21 LEU 60 53.280 24.631 31.341 475 HD22 LEU 60 HD22 LEU 60 54.195 24.058 29.947 476 HD23 LEU 60 HD23 LEU 60 54.526 23.400 31.550 477 H GLN 61 H GLN 61 49.068 23.339 32.180 478 HA GLN 61 HA GLN 61 50.106 21.858 34.346 479 HB2 GLN 61 HB2 GLN 61 47.537 23.437 34.104 480 HB3 GLN 61 HB3 GLN 61 48.172 22.800 35.621 481 HG2 GLN 61 HG2 GLN 61 49.632 24.726 33.788 482 HG3 GLN 61 HG3 GLN 61 48.817 25.169 35.286 483 HE21 GLN 61 HE21 GLN 61 51.858 24.743 34.203 484 HE22 GLN 61 HE22 GLN 61 52.588 24.073 35.580 485 H ASN 62 H ASN 62 47.117 21.466 32.469 486 HA ASN 62 HA ASN 62 46.009 19.351 33.939 487 HB2 ASN 62 HB2 ASN 62 45.825 19.910 30.970 488 HB3 ASN 62 HB3 ASN 62 44.773 18.815 31.867 489 HD21 ASN 62 HD21 ASN 62 44.466 21.666 30.507 490 HD22 ASN 62 HD22 ASN 62 43.574 22.517 31.671 491 H LEU 63 H LEU 63 48.370 19.343 31.300 492 HA LEU 63 HA LEU 63 48.513 16.583 30.847 493 HB2 LEU 63 HB2 LEU 63 49.628 18.369 29.472 494 HB3 LEU 63 HB3 LEU 63 50.828 18.531 30.751 495 HG LEU 63 HG LEU 63 51.151 15.970 30.487 496 HD11 LEU 63 HD11 LEU 63 49.913 16.632 27.800 497 HD12 LEU 63 HD12 LEU 63 49.123 15.678 29.055 498 HD13 LEU 63 HD13 LEU 63 50.593 15.081 28.286 499 HD21 LEU 63 HD21 LEU 63 52.884 17.518 29.835 500 HD22 LEU 63 HD22 LEU 63 51.995 17.984 28.385 501 HD23 LEU 63 HD23 LEU 63 52.686 16.366 28.515 502 H TYR 64 H TYR 64 50.253 18.637 33.148 503 HA TYR 64 HA TYR 64 51.986 16.680 34.179 504 HB2 TYR 64 HB2 TYR 64 52.091 19.174 34.534 505 HB3 TYR 64 HB3 TYR 64 50.791 18.996 35.697 506 HD1 TYR 64 HD1 TYR 64 51.190 18.001 37.886 507 HD2 TYR 64 HD2 TYR 64 54.339 18.316 34.978 508 HE1 TYR 64 HE1 TYR 64 52.867 17.507 39.645 509 HE2 TYR 64 HE2 TYR 64 56.005 17.827 36.727 510 HH TYR 64 HH TYR 64 55.253 17.815 40.021 511 H GLN 65 H GLN 65 48.775 17.735 35.280 512 HA GLN 65 HA GLN 65 48.674 16.114 37.587 513 HB2 GLN 65 HB2 GLN 65 46.441 17.222 35.872 514 HB3 GLN 65 HB3 GLN 65 46.208 16.476 37.454 515 HG2 GLN 65 HG2 GLN 65 47.639 18.161 38.495 516 HG3 GLN 65 HG3 GLN 65 47.977 18.880 36.923 517 HE21 GLN 65 HE21 GLN 65 46.784 20.399 39.038 518 HE22 GLN 65 HE22 GLN 65 45.195 20.787 38.584 519 H LEU 66 H LEU 66 47.519 15.530 34.279 520 HA LEU 66 HA LEU 66 46.387 12.990 34.821 521 HB2 LEU 66 HB2 LEU 66 47.422 14.143 32.221 522 HB3 LEU 66 HB3 LEU 66 46.468 12.668 32.357 523 HG LEU 66 HG LEU 66 45.548 15.391 33.328 524 HD11 LEU 66 HD11 LEU 66 45.190 13.914 30.732 525 HD12 LEU 66 HD12 LEU 66 45.516 15.627 30.998 526 HD13 LEU 66 HD13 LEU 66 43.907 14.974 31.316 527 HD21 LEU 66 HD21 LEU 66 44.251 12.663 33.112 528 HD22 LEU 66 HD22 LEU 66 43.307 14.146 33.267 529 HD23 LEU 66 HD23 LEU 66 44.419 13.672 34.550 530 H ALA 67 H ALA 67 49.638 13.986 33.888 531 HA ALA 67 HA ALA 67 50.726 11.479 33.280 532 HB1 ALA 67 HB1 ALA 67 51.912 13.998 34.446 533 HB2 ALA 67 HB2 ALA 67 52.043 13.393 32.795 534 HB3 ALA 67 HB3 ALA 67 52.892 12.573 34.105 535 H ALA 68 H ALA 68 50.352 13.146 36.397 536 HA ALA 68 HA ALA 68 50.292 12.320 38.537 537 HB1 ALA 68 HB1 ALA 68 49.003 10.440 38.769 538 HB2 ALA 68 HB2 ALA 68 49.959 9.511 37.617 539 HB3 ALA 68 HB3 ALA 68 48.759 10.665 37.037 540 H ALA 69 H ALA 69 51.322 9.352 39.000 541 HA ALA 69 HA ALA 69 53.851 10.154 39.921 542 HB1 ALA 69 HB1 ALA 69 53.228 7.286 39.326 543 HB2 ALA 69 HB2 ALA 69 52.328 8.137 40.582 544 HB3 ALA 69 HB3 ALA 69 54.081 7.985 40.702 545 H ASP 70 H ASP 70 52.897 9.220 36.722 546 HA ASP 70 HA ASP 70 55.555 8.180 36.058 547 HB2 ASP 70 HB2 ASP 70 53.008 8.376 34.450 548 HB3 ASP 70 HB3 ASP 70 54.519 7.694 33.850 549 H TRP 71 H TRP 71 54.576 11.248 36.386 550 HA TRP 71 HA TRP 71 54.987 12.590 34.038 551 HB2 TRP 71 HB2 TRP 71 54.340 13.791 35.958 552 HB3 TRP 71 HB3 TRP 71 55.758 13.304 36.851 553 HD1 TRP 71 HD1 TRP 71 57.506 15.094 37.066 554 HE1 TRP 71 HE1 TRP 71 58.154 17.221 35.767 555 HE3 TRP 71 HE3 TRP 71 54.255 14.773 33.133 556 HZ2 TRP 71 HZ2 TRP 71 57.428 18.591 33.373 557 HZ3 TRP 71 HZ3 TRP 71 54.266 16.498 31.357 558 HH2 TRP 71 HH2 TRP 71 55.848 18.405 31.471 559 HA PRO 72 HA PRO 72 59.909 12.443 34.841 560 HB2 PRO 72 HB2 PRO 72 59.769 9.531 35.545 561 HB3 PRO 72 HB3 PRO 72 60.981 10.745 36.006 562 HG2 PRO 72 HG2 PRO 72 59.096 9.962 37.705 563 HG3 PRO 72 HG3 PRO 72 59.665 11.639 37.654 564 HD2 PRO 72 HD2 PRO 72 57.072 10.522 36.762 565 HD3 PRO 72 HD3 PRO 72 57.478 12.179 37.258 566 H GLU 73 H GLU 73 57.911 9.679 33.727 567 HA GLU 73 HA GLU 73 59.727 9.083 31.556 568 HB2 GLU 73 HB2 GLU 73 56.938 8.083 32.177 569 HB3 GLU 73 HB3 GLU 73 57.966 7.462 30.884 570 HG2 GLU 73 HG2 GLU 73 59.703 6.898 32.574 571 HG3 GLU 73 HG3 GLU 73 58.615 7.440 33.845 572 H ILE 74 H ILE 74 56.476 10.483 31.857 573 HA ILE 74 HA ILE 74 55.975 10.834 29.118 574 HB ILE 74 HB ILE 74 54.944 12.386 31.507 575 HG12 ILE 74 HG12 ILE 74 53.664 10.128 29.946 576 HG13 ILE 74 HG13 ILE 74 54.609 9.864 31.408 577 HG21 ILE 74 HG21 ILE 74 53.107 13.088 30.095 578 HG22 ILE 74 HG22 ILE 74 53.718 12.133 28.743 579 HG23 ILE 74 HG23 ILE 74 54.607 13.553 29.294 580 HD11 ILE 74 HD11 ILE 74 53.053 10.961 32.770 581 HD12 ILE 74 HD12 ILE 74 52.023 10.112 31.618 582 HD13 ILE 74 HD13 ILE 74 52.333 11.835 31.418 583 H GLY 75 H GLY 75 57.605 12.918 31.443 584 HA2 GLY 75 HA2 GLY 75 57.697 15.289 29.942 585 HA3 GLY 75 HA3 GLY 75 58.802 14.858 31.237 586 H ARG 76 H ARG 76 59.401 12.347 29.437 587 HA ARG 76 HA ARG 76 61.818 13.301 28.335 588 HB2 ARG 76 HB2 ARG 76 60.263 10.760 27.809 589 HB3 ARG 76 HB3 ARG 76 61.929 11.048 27.296 590 HG2 ARG 76 HG2 ARG 76 62.620 11.372 29.617 591 HG3 ARG 76 HG3 ARG 76 60.958 11.161 30.166 592 HD2 ARG 76 HD2 ARG 76 62.105 9.077 30.494 593 HD3 ARG 76 HD3 ARG 76 61.001 8.866 29.138 594 HE ARG 76 HE ARG 76 63.738 9.634 28.470 595 HH11 ARG 76 HH11 ARG 76 61.427 7.005 28.761 596 HH12 ARG 76 HH12 ARG 76 62.349 5.952 27.742 597 HH21 ARG 76 HH21 ARG 76 64.880 8.230 27.167 598 HH22 ARG 76 HH22 ARG 76 64.277 6.637 26.851 599 H LEU 77 H LEU 77 58.581 13.055 26.997 600 HA LEU 77 HA LEU 77 59.439 12.955 24.270 601 HB2 LEU 77 HB2 LEU 77 56.739 13.514 25.509 602 HB3 LEU 77 HB3 LEU 77 57.014 13.333 23.776 603 HG LEU 77 HG LEU 77 57.996 11.208 25.659 604 HD11 LEU 77 HD11 LEU 77 55.481 11.851 26.009 605 HD12 LEU 77 HD12 LEU 77 55.911 10.153 25.800 606 HD13 LEU 77 HD13 LEU 77 55.248 11.067 24.446 607 HD21 LEU 77 HD21 LEU 77 58.698 10.983 23.373 608 HD22 LEU 77 HD22 LEU 77 57.078 11.344 22.775 609 HD23 LEU 77 HD23 LEU 77 57.392 9.820 23.608 610 HA PRO 78 HA PRO 78 59.942 17.359 23.561 611 HB2 PRO 78 HB2 PRO 78 58.995 17.563 20.957 612 HB3 PRO 78 HB3 PRO 78 60.632 17.040 21.401 613 HG2 PRO 78 HG2 PRO 78 58.261 15.408 20.665 614 HG3 PRO 78 HG3 PRO 78 59.969 15.185 20.238 615 HD2 PRO 78 HD2 PRO 78 58.806 13.699 22.169 616 HD3 PRO 78 HD3 PRO 78 60.504 14.212 22.280 617 H LEU 79 H LEU 79 58.673 18.958 24.302 618 HA LEU 79 HA LEU 79 55.773 18.885 23.713 619 HB2 LEU 79 HB2 LEU 79 56.477 18.942 26.109 620 HB3 LEU 79 HB3 LEU 79 57.242 20.503 25.808 621 HG LEU 79 HG LEU 79 54.967 21.286 24.931 622 HD11 LEU 79 HD11 LEU 79 54.223 18.643 26.197 623 HD12 LEU 79 HD12 LEU 79 53.835 19.218 24.576 624 HD13 LEU 79 HD13 LEU 79 53.055 19.948 25.979 625 HD21 LEU 79 HD21 LEU 79 54.769 20.487 27.822 626 HD22 LEU 79 HD22 LEU 79 54.362 22.025 27.060 627 HD23 LEU 79 HD23 LEU 79 56.051 21.587 27.316 628 H PHE 80 H PHE 80 55.005 20.286 22.253 629 HA PHE 80 HA PHE 80 56.630 22.544 21.348 630 HB2 PHE 80 HB2 PHE 80 53.872 21.631 20.506 631 HB3 PHE 80 HB3 PHE 80 54.790 22.912 19.752 632 HD1 PHE 80 HD1 PHE 80 53.972 19.460 19.721 633 HD2 PHE 80 HD2 PHE 80 57.100 22.224 18.710 634 HE1 PHE 80 HE1 PHE 80 54.902 17.816 18.118 635 HE2 PHE 80 HE2 PHE 80 58.037 20.573 17.108 636 HZ PHE 80 HZ PHE 80 56.922 18.377 16.799 637 H VAL 81 H VAL 81 56.401 24.526 22.238 638 HA VAL 81 HA VAL 81 53.870 25.173 23.631 639 HB VAL 81 HB VAL 81 55.146 26.750 24.986 640 HG11 VAL 81 HG11 VAL 81 56.352 25.121 26.310 641 HG12 VAL 81 HG12 VAL 81 56.513 24.047 24.920 642 HG13 VAL 81 HG13 VAL 81 54.926 24.335 25.633 643 HG21 VAL 81 HG21 VAL 81 57.792 26.302 24.722 644 HG22 VAL 81 HG22 VAL 81 56.961 27.574 23.832 645 HG23 VAL 81 HG23 VAL 81 57.307 26.036 23.048 646 HA PRO 82 HA PRO 82 53.312 28.210 20.500 647 HB2 PRO 82 HB2 PRO 82 51.488 29.865 21.585 648 HB3 PRO 82 HB3 PRO 82 51.100 28.177 21.190 649 HG2 PRO 82 HG2 PRO 82 51.736 29.401 23.824 650 HG3 PRO 82 HG3 PRO 82 50.537 28.162 23.414 651 HD2 PRO 82 HD2 PRO 82 53.017 27.615 24.517 652 HD3 PRO 82 HD3 PRO 82 52.052 26.451 23.586 653 H SER 83 H SER 83 54.491 29.284 23.609 654 HA SER 83 HA SER 83 55.548 31.734 22.389 655 HB2 SER 83 HB2 SER 83 54.543 33.208 23.946 656 HB3 SER 83 HB3 SER 83 53.241 32.145 23.431 657 HG SER 83 HG SER 83 53.403 32.353 25.697 658 HA PRO 84 HA PRO 84 59.100 31.010 24.966 659 HB2 PRO 84 HB2 PRO 84 59.426 33.566 26.118 660 HB3 PRO 84 HB3 PRO 84 60.153 32.990 24.610 661 HG2 PRO 84 HG2 PRO 84 57.752 34.668 25.026 662 HG3 PRO 84 HG3 PRO 84 58.949 34.699 23.718 663 HD2 PRO 84 HD2 PRO 84 56.499 33.647 23.336 664 HD3 PRO 84 HD3 PRO 84 57.938 32.950 22.555 665 H ARG 85 H ARG 85 56.536 32.987 26.478 666 HA ARG 85 HA ARG 85 57.198 32.520 29.154 667 HB2 ARG 85 HB2 ARG 85 55.518 34.178 28.357 668 HB3 ARG 85 HB3 ARG 85 54.415 32.847 28.010 669 HG2 ARG 85 HG2 ARG 85 54.566 32.150 30.403 670 HG3 ARG 85 HG3 ARG 85 55.560 33.572 30.722 671 HD2 ARG 85 HD2 ARG 85 52.736 33.618 29.621 672 HD3 ARG 85 HD3 ARG 85 53.191 33.993 31.280 673 HE ARG 85 HE ARG 85 54.693 35.625 29.542 674 HH11 ARG 85 HH11 ARG 85 51.368 35.257 30.608 675 HH12 ARG 85 HH12 ARG 85 50.992 36.925 30.338 676 HH21 ARG 85 HH21 ARG 85 54.149 37.764 29.214 677 HH22 ARG 85 HH22 ARG 85 52.548 38.326 29.559 678 H VAL 86 H VAL 86 54.940 30.708 27.056 679 HA VAL 86 HA VAL 86 54.213 28.761 28.946 680 HB VAL 86 HB VAL 86 54.435 28.485 25.936 681 HG11 VAL 86 HG11 VAL 86 54.174 26.288 26.800 682 HG12 VAL 86 HG12 VAL 86 52.536 26.803 26.397 683 HG13 VAL 86 HG13 VAL 86 53.082 26.832 28.074 684 HG21 VAL 86 HG21 VAL 86 52.133 29.190 25.874 685 HG22 VAL 86 HG22 VAL 86 53.010 30.380 26.835 686 HG23 VAL 86 HG23 VAL 86 52.019 29.160 27.634 687 H ALA 87 H ALA 87 56.934 28.899 26.680 688 HA ALA 87 HA ALA 87 57.931 26.310 27.028 689 HB1 ALA 87 HB1 ALA 87 59.816 27.056 25.917 690 HB2 ALA 87 HB2 ALA 87 59.820 28.611 26.749 691 HB3 ALA 87 HB3 ALA 87 58.660 28.307 25.454 692 H GLU 88 H GLU 88 58.529 29.273 28.879 693 HA GLU 88 HA GLU 88 60.512 28.245 30.592 694 HB2 GLU 88 HB2 GLU 88 58.467 30.422 31.082 695 HB3 GLU 88 HB3 GLU 88 59.869 30.110 32.107 696 HG2 GLU 88 HG2 GLU 88 59.980 30.799 29.157 697 HG3 GLU 88 HG3 GLU 88 60.310 31.920 30.473 698 H MET 89 H MET 89 56.975 28.311 30.888 699 HA MET 89 HA MET 89 56.782 27.267 33.489 700 HB2 MET 89 HB2 MET 89 54.915 26.931 31.129 701 HB3 MET 89 HB3 MET 89 54.506 26.533 32.798 702 HG2 MET 89 HG2 MET 89 55.039 28.906 33.426 703 HG3 MET 89 HG3 MET 89 55.239 29.266 31.712 704 HE1 MET 89 HE1 MET 89 52.640 26.932 33.677 705 HE2 MET 89 HE2 MET 89 51.424 28.168 33.988 706 HE3 MET 89 HE3 MET 89 53.060 28.375 34.609 707 H ALA 90 H ALA 90 56.921 25.627 30.348 708 HA ALA 90 HA ALA 90 56.572 22.998 31.289 709 HB1 ALA 90 HB1 ALA 90 57.241 22.289 29.152 710 HB2 ALA 90 HB2 ALA 90 58.314 23.671 28.929 711 HB3 ALA 90 HB3 ALA 90 56.566 23.892 28.863 712 H ARG 91 H ARG 91 59.500 24.943 30.834 713 HA ARG 91 HA ARG 91 61.381 22.942 31.431 714 HB2 ARG 91 HB2 ARG 91 61.925 25.168 30.447 715 HB3 ARG 91 HB3 ARG 91 61.608 25.904 32.020 716 HG2 ARG 91 HG2 ARG 91 63.353 24.426 33.020 717 HG3 ARG 91 HG3 ARG 91 63.719 23.818 31.405 718 HD2 ARG 91 HD2 ARG 91 63.909 26.716 32.273 719 HD3 ARG 91 HD3 ARG 91 65.274 25.625 32.052 720 HE ARG 91 HE ARG 91 63.882 27.032 30.000 721 HH11 ARG 91 HH11 ARG 91 65.491 23.973 30.613 722 HH12 ARG 91 HH12 ARG 91 65.870 23.724 28.941 723 HH21 ARG 91 HH21 ARG 91 64.396 26.656 27.863 724 HH22 ARG 91 HH22 ARG 91 65.257 25.225 27.405 725 H GLU 92 H GLU 92 59.691 25.251 33.540 726 HA GLU 92 HA GLU 92 61.067 24.658 35.913 727 HB2 GLU 92 HB2 GLU 92 59.532 26.599 35.568 728 HB3 GLU 92 HB3 GLU 92 58.167 25.484 35.670 729 HG2 GLU 92 HG2 GLU 92 58.960 24.774 37.921 730 HG3 GLU 92 HG3 GLU 92 60.244 25.970 37.822 731 H LEU 93 H LEU 93 58.244 23.111 34.437 732 HA LEU 93 HA LEU 93 57.653 21.374 36.592 733 HB2 LEU 93 HB2 LEU 93 57.181 20.907 33.641 734 HB3 LEU 93 HB3 LEU 93 56.426 20.019 34.959 735 HG LEU 93 HG LEU 93 56.118 22.991 34.426 736 HD11 LEU 93 HD11 LEU 93 54.880 21.742 32.794 737 HD12 LEU 93 HD12 LEU 93 53.714 22.233 34.023 738 HD13 LEU 93 HD13 LEU 93 54.336 20.581 34.007 739 HD21 LEU 93 HD21 LEU 93 54.223 22.625 36.160 740 HD22 LEU 93 HD22 LEU 93 55.875 22.723 36.773 741 HD23 LEU 93 HD23 LEU 93 55.092 21.151 36.596 742 H GLY 94 H GLY 94 60.221 21.255 34.249 743 HA2 GLY 94 HA2 GLY 94 62.066 19.746 34.652 744 HA3 GLY 94 HA3 GLY 94 60.912 18.538 35.188 745 H ALA 95 H ALA 95 59.900 20.232 32.331 746 HA ALA 95 HA ALA 95 59.814 17.899 30.771 747 HB1 ALA 95 HB1 ALA 95 58.414 19.545 29.948 748 HB2 ALA 95 HB2 ALA 95 59.780 19.713 28.845 749 HB3 ALA 95 HB3 ALA 95 59.599 20.828 30.200 750 H GLN 96 H GLN 96 61.336 16.813 29.717 751 HA GLN 96 HA GLN 96 64.066 17.562 30.127 752 HB2 GLN 96 HB2 GLN 96 62.848 15.267 28.575 753 HB3 GLN 96 HB3 GLN 96 64.561 15.428 28.979 754 HG2 GLN 96 HG2 GLN 96 63.972 15.510 31.386 755 HG3 GLN 96 HG3 GLN 96 62.277 15.286 30.969 756 HE21 GLN 96 HE21 GLN 96 62.326 13.239 32.231 757 HE22 GLN 96 HE22 GLN 96 63.020 11.848 31.561 758 H ARG 97 H ARG 97 61.881 17.557 27.351 759 HA ARG 97 HA ARG 97 63.907 19.126 25.873 760 HB2 ARG 97 HB2 ARG 97 63.764 16.804 24.974 761 HB3 ARG 97 HB3 ARG 97 62.048 17.059 24.668 762 HG2 ARG 97 HG2 ARG 97 63.097 17.519 22.595 763 HG3 ARG 97 HG3 ARG 97 62.776 19.109 23.283 764 HD2 ARG 97 HD2 ARG 97 65.104 19.172 24.159 765 HD3 ARG 97 HD3 ARG 97 65.411 17.615 23.397 766 HE ARG 97 HE ARG 97 64.428 19.673 21.604 767 HH11 ARG 97 HH11 ARG 97 67.292 18.168 22.965 768 HH12 ARG 97 HH12 ARG 97 68.312 18.708 21.673 769 HH21 ARG 97 HH21 ARG 97 65.790 20.340 19.968 770 HH22 ARG 97 HH22 ARG 97 67.470 19.923 19.998 771 H VAL 98 H VAL 98 63.119 21.121 25.730 772 HA VAL 98 HA VAL 98 60.207 21.484 25.307 773 HB VAL 98 HB VAL 98 62.221 23.445 26.442 774 HG11 VAL 98 HG11 VAL 98 60.237 24.777 26.994 775 HG12 VAL 98 HG12 VAL 98 59.192 23.551 26.276 776 HG13 VAL 98 HG13 VAL 98 60.294 24.477 25.257 777 HG21 VAL 98 HG21 VAL 98 61.066 23.025 28.587 778 HG22 VAL 98 HG22 VAL 98 61.786 21.541 27.965 779 HG23 VAL 98 HG23 VAL 98 60.052 21.813 27.807 780 H ILE 99 H ILE 99 59.542 22.371 23.465 781 HA ILE 99 HA ILE 99 61.567 23.489 21.619 782 HB ILE 99 HB ILE 99 59.107 21.830 20.999 783 HG12 ILE 99 HG12 ILE 99 62.029 21.155 20.567 784 HG13 ILE 99 HG13 ILE 99 61.132 20.653 21.999 785 HG21 ILE 99 HG21 ILE 99 60.414 21.851 18.673 786 HG22 ILE 99 HG22 ILE 99 61.011 23.390 19.295 787 HG23 ILE 99 HG23 ILE 99 59.277 23.130 19.100 788 HD11 ILE 99 HD11 ILE 99 61.064 18.835 20.402 789 HD12 ILE 99 HD12 ILE 99 60.521 19.922 19.123 790 HD13 ILE 99 HD13 ILE 99 59.456 19.554 20.478 791 H ASP 100 H ASP 100 61.228 25.553 21.079 792 HA ASP 100 HA ASP 100 58.595 26.761 21.552 793 HB2 ASP 100 HB2 ASP 100 60.648 27.901 22.386 794 HB3 ASP 100 HB3 ASP 100 61.194 28.071 20.718 795 H CYS 101 H CYS 101 57.170 26.823 19.923 796 HA CYS 101 HA CYS 101 58.109 26.473 17.184 797 HB2 CYS 101 HB2 CYS 101 55.770 26.183 16.605 798 HB3 CYS 101 HB3 CYS 101 56.172 25.179 17.996 799 HG CYS 101 HG CYS 101 55.163 27.659 19.178 800 H ARG 102 H ARG 102 57.143 29.104 19.210 801 HA ARG 102 HA ARG 102 55.988 30.870 17.388 802 HB2 ARG 102 HB2 ARG 102 56.188 31.258 19.841 803 HB3 ARG 102 HB3 ARG 102 57.907 31.569 19.623 804 HG2 ARG 102 HG2 ARG 102 56.908 33.717 19.630 805 HG3 ARG 102 HG3 ARG 102 57.190 33.372 17.926 806 HD2 ARG 102 HD2 ARG 102 54.840 32.586 17.720 807 HD3 ARG 102 HD3 ARG 102 54.572 33.003 19.408 808 HE ARG 102 HE ARG 102 54.389 35.212 18.769 809 HH11 ARG 102 HH11 ARG 102 56.011 33.479 16.183 810 HH12 ARG 102 HH12 ARG 102 55.994 34.847 15.120 811 HH21 ARG 102 HH21 ARG 102 54.395 36.938 17.358 812 HH22 ARG 102 HH22 ARG 102 55.090 36.781 15.779 813 H GLY 103 H GLY 103 59.402 30.141 17.985 814 HA2 GLY 103 HA2 GLY 103 60.232 32.053 15.927 815 HA3 GLY 103 HA3 GLY 103 61.297 31.142 16.993 816 H ALA 104 H ALA 104 60.052 28.563 16.475 817 HA ALA 104 HA ALA 104 61.380 28.001 13.936 818 HB1 ALA 104 HB1 ALA 104 61.995 26.457 15.598 819 HB2 ALA 104 HB2 ALA 104 60.792 25.587 14.647 820 HB3 ALA 104 HB3 ALA 104 60.343 26.304 16.195 821 H SER 105 H SER 105 60.335 27.735 12.077 822 HA SER 105 HA SER 105 57.540 28.108 11.844 823 HB2 SER 105 HB2 SER 105 59.484 26.958 9.829 824 HB3 SER 105 HB3 SER 105 57.867 27.558 9.476 825 HG SER 105 HG SER 105 59.965 28.955 9.474 826 H ALA 106 H ALA 106 55.973 26.610 10.967 827 HA ALA 106 HA ALA 106 55.641 24.269 12.348 828 HB1 ALA 106 HB1 ALA 106 53.844 25.327 11.107 829 HB2 ALA 106 HB2 ALA 106 53.987 23.630 10.649 830 HB3 ALA 106 HB3 ALA 106 54.605 24.889 9.579 831 HA PRO 107 HA PRO 107 57.393 21.561 8.746 832 HB2 PRO 107 HB2 PRO 107 59.438 22.802 7.296 833 HB3 PRO 107 HB3 PRO 107 57.794 22.490 6.713 834 HG2 PRO 107 HG2 PRO 107 58.979 24.983 7.770 835 HG3 PRO 107 HG3 PRO 107 57.748 24.752 6.516 836 HD2 PRO 107 HD2 PRO 107 57.120 25.610 8.984 837 HD3 PRO 107 HD3 PRO 107 56.013 24.592 8.044 838 H ALA 108 H ALA 108 59.414 24.067 10.221 839 HA ALA 108 HA ALA 108 61.706 22.509 10.725 840 HB1 ALA 108 HB1 ALA 108 60.690 24.593 12.646 841 HB2 ALA 108 HB2 ALA 108 61.329 25.049 11.067 842 HB3 ALA 108 HB3 ALA 108 62.356 24.201 12.223 843 H LEU 109 H LEU 109 58.725 22.966 12.594 844 HA LEU 109 HA LEU 109 59.409 21.458 14.856 845 HB2 LEU 109 HB2 LEU 109 56.684 21.712 13.556 846 HB3 LEU 109 HB3 LEU 109 57.000 21.223 15.219 847 HG LEU 109 HG LEU 109 57.799 23.897 14.034 848 HD11 LEU 109 HD11 LEU 109 55.675 23.503 16.124 849 HD12 LEU 109 HD12 LEU 109 55.267 23.296 14.421 850 HD13 LEU 109 HD13 LEU 109 55.893 24.841 14.996 851 HD21 LEU 109 HD21 LEU 109 57.998 22.644 16.777 852 HD22 LEU 109 HD22 LEU 109 57.999 24.395 16.566 853 HD23 LEU 109 HD23 LEU 109 59.271 23.418 15.832 854 H LEU 110 H LEU 110 58.010 20.465 11.754 855 HA LEU 110 HA LEU 110 57.530 17.761 12.316 856 HB2 LEU 110 HB2 LEU 110 56.828 18.935 10.236 857 HB3 LEU 110 HB3 LEU 110 58.508 18.941 9.702 858 HG LEU 110 HG LEU 110 58.481 16.411 9.958 859 HD11 LEU 110 HD11 LEU 110 56.616 16.035 11.379 860 HD12 LEU 110 HD12 LEU 110 56.083 15.482 9.790 861 HD13 LEU 110 HD13 LEU 110 55.564 17.055 10.397 862 HD21 LEU 110 HD21 LEU 110 56.508 17.624 7.995 863 HD22 LEU 110 HD22 LEU 110 57.321 16.069 7.818 864 HD23 LEU 110 HD23 LEU 110 58.256 17.563 7.769 865 H ALA 111 H ALA 111 60.451 19.371 11.123 866 HA ALA 111 HA ALA 111 62.085 17.097 10.873 867 HB1 ALA 111 HB1 ALA 111 63.916 18.594 10.756 868 HB2 ALA 111 HB2 ALA 111 63.091 19.806 11.738 869 HB3 ALA 111 HB3 ALA 111 62.552 19.491 10.089 870 H ALA 112 H ALA 112 61.428 19.196 13.648 871 HA ALA 112 HA ALA 112 63.335 18.148 15.417 872 HB1 ALA 112 HB1 ALA 112 60.586 19.238 16.078 873 HB2 ALA 112 HB2 ALA 112 62.040 20.211 15.849 874 HB3 ALA 112 HB3 ALA 112 61.939 19.080 17.199 875 H LEU 113 H LEU 113 60.027 17.101 14.704 876 HA LEU 113 HA LEU 113 59.753 15.167 16.719 877 HB2 LEU 113 HB2 LEU 113 58.532 15.650 14.037 878 HB3 LEU 113 HB3 LEU 113 58.280 14.063 14.757 879 HG LEU 113 HG LEU 113 57.822 16.515 16.434 880 HD11 LEU 113 HD11 LEU 113 55.723 15.320 14.605 881 HD12 LEU 113 HD12 LEU 113 56.611 16.794 14.218 882 HD13 LEU 113 HD13 LEU 113 55.563 16.743 15.635 883 HD21 LEU 113 HD21 LEU 113 56.868 13.660 16.309 884 HD22 LEU 113 HD22 LEU 113 55.948 14.866 17.210 885 HD23 LEU 113 HD23 LEU 113 57.617 14.510 17.660 886 H THR 114 H THR 114 60.896 14.825 13.377 887 HA THR 114 HA THR 114 61.344 12.038 13.537 888 HB THR 114 HB THR 114 62.682 12.353 11.472 889 HG1 THR 114 HG1 THR 114 62.176 15.053 11.909 890 HG21 THR 114 HG21 THR 114 60.419 12.128 10.983 891 HG22 THR 114 HG22 THR 114 60.765 13.702 10.268 892 HG23 THR 114 HG23 THR 114 59.978 13.602 11.844 893 H SER 115 H SER 115 63.516 14.791 14.094 894 HA SER 115 HA SER 115 65.895 13.312 14.369 895 HB2 SER 115 HB2 SER 115 65.163 15.911 15.733 896 HB3 SER 115 HB3 SER 115 66.788 15.283 15.481 897 HG SER 115 HG SER 115 66.643 16.118 13.580 898 H ALA 116 H ALA 116 63.485 14.307 16.786 899 HA ALA 116 HA ALA 116 64.872 13.408 19.059 900 HB1 ALA 116 HB1 ALA 116 61.873 13.532 18.673 901 HB2 ALA 116 HB2 ALA 116 62.884 14.916 19.090 902 HB3 ALA 116 HB3 ALA 116 62.742 13.558 20.208 903 H ALA 117 H ALA 117 62.594 11.746 16.907 904 HA ALA 117 HA ALA 117 62.303 9.383 18.388 905 HB1 ALA 117 HB1 ALA 117 60.920 10.003 16.421 906 HB2 ALA 117 HB2 ALA 117 61.564 8.365 16.309 907 HB3 ALA 117 HB3 ALA 117 62.301 9.668 15.376 908 H LEU 118 H LEU 118 64.811 10.377 16.104 909 HA LEU 118 HA LEU 118 66.063 7.880 15.762 910 HB2 LEU 118 HB2 LEU 118 67.254 10.661 15.716 911 HB3 LEU 118 HB3 LEU 118 68.073 9.207 15.147 912 HG LEU 118 HG LEU 118 65.397 10.151 14.085 913 HD11 LEU 118 HD11 LEU 118 67.070 11.808 13.494 914 HD12 LEU 118 HD12 LEU 118 66.747 10.820 12.068 915 HD13 LEU 118 HD13 LEU 118 68.208 10.547 13.018 916 HD21 LEU 118 HD21 LEU 118 67.343 7.955 13.392 917 HD22 LEU 118 HD22 LEU 118 66.246 8.599 12.169 918 HD23 LEU 118 HD23 LEU 118 65.599 7.848 13.628 919 H GLU 119 H GLU 119 66.439 10.343 18.273 920 HA GLU 119 HA GLU 119 68.745 9.255 19.493 921 HB2 GLU 119 HB2 GLU 119 66.514 10.928 20.667 922 HB3 GLU 119 HB3 GLU 119 68.049 10.594 21.469 923 HG2 GLU 119 HG2 GLU 119 69.245 11.611 19.538 924 HG3 GLU 119 HG3 GLU 119 67.695 12.010 18.814 925 H HIS 120 H HIS 120 65.297 8.612 19.946 926 HA HIS 120 HA HIS 120 65.479 7.107 22.316 927 HB2 HIS 120 HB2 HIS 120 63.372 7.974 21.342 928 HB3 HIS 120 HB3 HIS 120 63.504 6.793 20.054 929 HD1 HIS 120 HD1 HIS 120 63.430 6.764 23.875 930 HD2 HIS 120 HD2 HIS 120 62.083 4.510 20.637 931 HE1 HIS 120 HE1 HIS 120 62.087 4.851 24.845 932 H HIS 121 H HIS 121 65.690 6.138 18.911 933 HA HIS 121 HA HIS 121 65.656 3.374 19.223 934 HB2 HIS 121 HB2 HIS 121 67.098 5.100 17.219 935 HB3 HIS 121 HB3 HIS 121 67.032 3.351 17.111 936 HD1 HIS 121 HD1 HIS 121 64.577 2.305 16.805 937 HD2 HIS 121 HD2 HIS 121 64.860 6.424 16.231 938 HE1 HIS 121 HE1 HIS 121 62.466 3.006 15.598 939 H HIS 122 H HIS 122 68.331 5.641 19.669 940 HA HIS 122 HA HIS 122 70.136 3.383 20.259 941 HB2 HIS 122 HB2 HIS 122 70.712 6.312 19.804 942 HB3 HIS 122 HB3 HIS 122 71.921 5.094 20.166 943 HD1 HIS 122 HD1 HIS 122 71.932 3.025 18.307 944 HD2 HIS 122 HD2 HIS 122 70.315 6.677 17.111 945 HE1 HIS 122 HE1 HIS 122 71.912 3.004 15.776 946 H HIS 123 H HIS 123 70.597 2.882 22.288 947 HA HIS 123 HA HIS 123 69.477 4.140 24.528 948 HB2 HIS 123 HB2 HIS 123 71.899 2.350 24.325 949 HB3 HIS 123 HB3 HIS 123 71.120 2.800 25.830 950 HD1 HIS 123 HD1 HIS 123 70.745 0.608 22.828 951 HD2 HIS 123 HD2 HIS 123 68.600 1.512 26.287 952 HE1 HIS 123 HE1 HIS 123 68.926 -1.141 23.019 953 H HIS 124 H HIS 124 72.641 4.539 22.998 954 HA HIS 124 HA HIS 124 73.307 6.652 24.956 955 HB2 HIS 124 HB2 HIS 124 75.080 5.141 23.032 956 HB3 HIS 124 HB3 HIS 124 75.617 6.381 24.148 957 HD1 HIS 124 HD1 HIS 124 75.122 5.753 26.791 958 HD2 HIS 124 HD2 HIS 124 75.185 2.595 24.070 959 HE1 HIS 124 HE1 HIS 124 75.441 3.643 28.152 960 H HIS 125 H HIS 125 73.679 8.713 24.303 961 HA HIS 125 HA HIS 125 72.659 9.519 21.744 962 HB2 HIS 125 HB2 HIS 125 74.147 11.169 23.788 963 HB3 HIS 125 HB3 HIS 125 73.146 11.773 22.482 964 HD1 HIS 125 HD1 HIS 125 70.509 10.920 22.679 965 HD2 HIS 125 HD2 HIS 125 72.796 10.908 26.165 966 HE1 HIS 125 HE1 HIS 125 68.872 10.853 24.608 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 58.078 8.385 6.833 2 H2 MET 1 HT2 MET 1 56.406 8.332 6.535 3 H3 MET 1 HT3 MET 1 57.288 6.889 6.702 4 HA MET 1 HA MET 1 56.580 6.908 8.805 5 HB2 MET 1 HB2 MET 1 58.624 9.146 8.876 6 HB3 MET 1 HB3 MET 1 58.026 8.293 10.301 7 HG2 MET 1 HG2 MET 1 58.799 6.140 9.249 8 HG3 MET 1 HG3 MET 1 59.551 7.095 7.973 9 HE1 MET 1 HE1 MET 1 62.248 9.101 9.523 10 HE2 MET 1 HE2 MET 1 60.663 9.749 9.935 11 HE3 MET 1 HE3 MET 1 60.925 9.020 8.352 12 H ASP 2 H ASP 2 54.991 7.683 10.112 13 HA ASP 2 HA ASP 2 54.039 10.449 9.648 14 HB2 ASP 2 HB2 ASP 2 52.324 7.991 10.073 15 HB3 ASP 2 HB3 ASP 2 51.746 9.638 9.831 16 HA PRO 3 HA PRO 3 55.093 9.740 14.123 17 HB2 PRO 3 HB2 PRO 3 55.381 12.455 14.677 18 HB3 PRO 3 HB3 PRO 3 56.694 11.364 14.198 19 HG2 PRO 3 HG2 PRO 3 55.151 13.293 12.556 20 HG3 PRO 3 HG3 PRO 3 56.870 12.865 12.489 21 HD2 PRO 3 HD2 PRO 3 55.118 11.913 10.676 22 HD3 PRO 3 HD3 PRO 3 56.490 10.934 11.245 23 H LYS 4 H LYS 4 53.889 10.227 16.042 24 HA LYS 4 HA LYS 4 51.162 11.251 15.500 25 HB2 LYS 4 HB2 LYS 4 52.137 9.271 17.575 26 HB3 LYS 4 HB3 LYS 4 50.475 9.838 17.416 27 HG2 LYS 4 HG2 LYS 4 50.440 8.960 15.081 28 HG3 LYS 4 HG3 LYS 4 52.055 8.301 15.335 29 HD2 LYS 4 HD2 LYS 4 51.166 6.992 17.268 30 HD3 LYS 4 HD3 LYS 4 49.548 7.571 16.873 31 HE2 LYS 4 HE2 LYS 4 49.821 6.592 14.579 32 HE3 LYS 4 HE3 LYS 4 51.351 5.893 15.108 33 HZ1 LYS 4 HZ1 LYS 4 50.320 4.403 16.449 34 HZ2 LYS 4 HZ2 LYS 4 49.092 4.582 15.289 35 HZ3 LYS 4 HZ3 LYS 4 48.996 5.413 16.768 36 H VAL 5 H VAL 5 50.372 12.914 16.718 37 HA VAL 5 HA VAL 5 51.790 13.598 19.219 38 HB VAL 5 HB VAL 5 51.415 16.025 18.695 39 HG11 VAL 5 HG11 VAL 5 53.317 14.238 17.217 40 HG12 VAL 5 HG12 VAL 5 53.638 15.372 18.531 41 HG13 VAL 5 HG13 VAL 5 53.333 15.974 16.900 42 HG21 VAL 5 HG21 VAL 5 50.842 14.866 15.951 43 HG22 VAL 5 HG22 VAL 5 51.269 16.554 16.227 44 HG23 VAL 5 HG23 VAL 5 49.785 15.897 16.918 45 H LEU 6 H LEU 6 50.611 14.367 20.858 46 HA LEU 6 HA LEU 6 47.678 14.162 20.575 47 HB2 LEU 6 HB2 LEU 6 48.834 12.687 22.244 48 HB3 LEU 6 HB3 LEU 6 49.327 14.141 23.112 49 HG LEU 6 HG LEU 6 46.804 14.755 23.084 50 HD11 LEU 6 HD11 LEU 6 46.821 11.879 22.213 51 HD12 LEU 6 HD12 LEU 6 45.816 13.208 21.637 52 HD13 LEU 6 HD13 LEU 6 45.497 12.479 23.210 53 HD21 LEU 6 HD21 LEU 6 48.044 14.122 25.114 54 HD22 LEU 6 HD22 LEU 6 47.833 12.416 24.722 55 HD23 LEU 6 HD23 LEU 6 46.432 13.407 25.132 56 H ILE 7 H ILE 7 46.374 15.880 21.021 57 HA ILE 7 HA ILE 7 47.734 18.451 21.517 58 HB ILE 7 HB ILE 7 44.938 17.992 20.451 59 HG12 ILE 7 HG12 ILE 7 47.380 18.800 18.857 60 HG13 ILE 7 HG13 ILE 7 46.851 17.121 18.974 61 HG21 ILE 7 HG21 ILE 7 46.741 20.434 20.407 62 HG22 ILE 7 HG22 ILE 7 45.396 20.199 21.523 63 HG23 ILE 7 HG23 ILE 7 45.090 20.342 19.792 64 HD11 ILE 7 HD11 ILE 7 45.979 18.616 16.996 65 HD12 ILE 7 HD12 ILE 7 44.856 19.234 18.206 66 HD13 ILE 7 HD13 ILE 7 44.873 17.516 17.817 67 H MET 8 H MET 8 47.386 19.582 23.285 68 HA MET 8 HA MET 8 45.286 18.825 25.183 69 HB2 MET 8 HB2 MET 8 47.548 20.842 25.319 70 HB3 MET 8 HB3 MET 8 46.433 20.507 26.638 71 HG2 MET 8 HG2 MET 8 48.253 18.465 25.323 72 HG3 MET 8 HG3 MET 8 48.565 19.243 26.871 73 HE1 MET 8 HE1 MET 8 45.977 19.466 28.368 74 HE2 MET 8 HE2 MET 8 47.390 18.709 29.083 75 HE3 MET 8 HE3 MET 8 45.824 17.919 29.203 76 H ARG 9 H ARG 9 43.457 20.044 25.474 77 HA ARG 9 HA ARG 9 42.694 21.883 23.462 78 HB2 ARG 9 HB2 ARG 9 41.119 20.490 24.849 79 HB3 ARG 9 HB3 ARG 9 41.428 21.594 26.190 80 HG2 ARG 9 HG2 ARG 9 40.618 23.484 24.871 81 HG3 ARG 9 HG3 ARG 9 40.368 22.432 23.478 82 HD2 ARG 9 HD2 ARG 9 38.233 22.704 24.560 83 HD3 ARG 9 HD3 ARG 9 38.789 21.068 24.891 84 HE ARG 9 HE ARG 9 39.673 22.755 26.968 85 HH11 ARG 9 HH11 ARG 9 36.659 21.431 25.746 86 HH12 ARG 9 HH12 ARG 9 35.892 21.483 27.298 87 HH21 ARG 9 HH21 ARG 9 38.633 22.798 28.939 88 HH22 ARG 9 HH22 ARG 9 36.996 22.247 29.083 89 H GLY 10 H GLY 10 42.504 24.101 23.465 90 HA2 GLY 10 HA2 GLY 10 43.346 25.660 25.767 91 HA3 GLY 10 HA3 GLY 10 44.450 25.705 24.396 92 H GLU 11 H GLU 11 43.500 28.070 25.043 93 HA GLU 11 HA GLU 11 41.015 28.926 24.165 94 HB2 GLU 11 HB2 GLU 11 42.698 30.315 25.379 95 HB3 GLU 11 HB3 GLU 11 43.603 30.462 23.872 96 HG2 GLU 11 HG2 GLU 11 41.580 31.431 22.790 97 HG3 GLU 11 HG3 GLU 11 40.747 31.360 24.336 98 H GLY 12 H GLY 12 43.881 28.173 22.251 99 HA2 GLY 12 HA2 GLY 12 42.971 29.363 19.822 100 HA3 GLY 12 HA3 GLY 12 44.241 28.151 19.971 101 H GLY 13 H GLY 13 42.804 27.791 17.818 102 HA2 GLY 13 HA2 GLY 13 40.450 26.149 18.360 103 HA3 GLY 13 HA3 GLY 13 41.024 26.662 16.777 104 H ARG 14 H ARG 14 40.618 24.032 18.694 105 HA ARG 14 HA ARG 14 42.928 22.483 18.401 106 HB2 ARG 14 HB2 ARG 14 40.018 21.649 18.382 107 HB3 ARG 14 HB3 ARG 14 41.371 20.526 18.510 108 HG2 ARG 14 HG2 ARG 14 42.135 21.730 20.554 109 HG3 ARG 14 HG3 ARG 14 40.701 22.755 20.454 110 HD2 ARG 14 HD2 ARG 14 40.726 19.742 20.778 111 HD3 ARG 14 HD3 ARG 14 40.314 20.915 22.024 112 HE ARG 14 HE ARG 14 38.669 21.296 19.739 113 HH11 ARG 14 HH11 ARG 14 39.077 19.098 22.445 114 HH12 ARG 14 HH12 ARG 14 37.410 18.626 22.441 115 HH21 ARG 14 HH21 ARG 14 36.537 20.650 19.782 116 HH22 ARG 14 HH22 ARG 14 35.991 19.494 20.951 117 H GLU 15 H GLU 15 40.224 23.021 16.172 118 HA GLU 15 HA GLU 15 40.947 21.063 14.272 119 HB2 GLU 15 HB2 GLU 15 39.407 23.645 13.928 120 HB3 GLU 15 HB3 GLU 15 39.496 22.359 12.724 121 HG2 GLU 15 HG2 GLU 15 38.558 20.771 14.393 122 HG3 GLU 15 HG3 GLU 15 38.398 22.097 15.536 123 H PHE 16 H PHE 16 41.855 24.480 14.598 124 HA PHE 16 HA PHE 16 43.056 24.759 12.060 125 HB2 PHE 16 HB2 PHE 16 42.448 26.639 13.554 126 HB3 PHE 16 HB3 PHE 16 43.759 26.185 14.626 127 HD1 PHE 16 HD1 PHE 16 42.906 27.536 11.288 128 HD2 PHE 16 HD2 PHE 16 46.046 26.739 14.109 129 HE1 PHE 16 HE1 PHE 16 44.459 28.935 9.954 130 HE2 PHE 16 HE2 PHE 16 47.599 28.139 12.776 131 HZ PHE 16 HZ PHE 16 46.806 29.237 10.698 132 H LEU 17 H LEU 17 44.588 24.170 15.239 133 HA LEU 17 HA LEU 17 47.217 23.971 14.248 134 HB2 LEU 17 HB2 LEU 17 46.060 22.606 16.693 135 HB3 LEU 17 HB3 LEU 17 47.765 22.927 16.388 136 HG LEU 17 HG LEU 17 45.626 25.064 16.632 137 HD11 LEU 17 HD11 LEU 17 46.130 23.825 18.761 138 HD12 LEU 17 HD12 LEU 17 46.573 25.530 18.818 139 HD13 LEU 17 HD13 LEU 17 47.818 24.304 18.585 140 HD21 LEU 17 HD21 LEU 17 47.661 26.546 16.820 141 HD22 LEU 17 HD22 LEU 17 47.462 25.805 15.234 142 HD23 LEU 17 HD23 LEU 17 48.645 25.155 16.369 143 H ALA 18 H ALA 18 44.784 21.453 14.867 144 HA ALA 18 HA ALA 18 46.439 19.264 14.245 145 HB1 ALA 18 HB1 ALA 18 44.488 18.635 15.344 146 HB2 ALA 18 HB2 ALA 18 44.103 18.195 13.680 147 HB3 ALA 18 HB3 ALA 18 43.475 19.694 14.363 148 H GLU 19 H GLU 19 44.440 21.339 12.189 149 HA GLU 19 HA GLU 19 44.507 19.751 9.873 150 HB2 GLU 19 HB2 GLU 19 43.030 21.742 10.229 151 HB3 GLU 19 HB3 GLU 19 44.441 22.774 9.996 152 HG2 GLU 19 HG2 GLU 19 44.794 21.734 7.761 153 HG3 GLU 19 HG3 GLU 19 43.325 20.797 7.989 154 H ARG 20 H ARG 20 46.724 22.286 11.042 155 HA ARG 20 HA ARG 20 48.362 22.354 8.746 156 HB2 ARG 20 HB2 ARG 20 49.096 22.889 11.631 157 HB3 ARG 20 HB3 ARG 20 50.101 23.301 10.241 158 HG2 ARG 20 HG2 ARG 20 48.192 24.664 9.345 159 HG3 ARG 20 HG3 ARG 20 47.328 24.360 10.852 160 HD2 ARG 20 HD2 ARG 20 49.995 25.768 10.566 161 HD3 ARG 20 HD3 ARG 20 48.459 26.517 10.987 162 HE ARG 20 HE ARG 20 49.018 24.454 12.835 163 HH11 ARG 20 HH11 ARG 20 50.157 27.667 11.993 164 HH12 ARG 20 HH12 ARG 20 50.773 27.974 13.583 165 HH21 ARG 20 HH21 ARG 20 49.841 24.901 14.857 166 HH22 ARG 20 HH22 ARG 20 50.595 26.426 15.184 167 H LEU 21 H LEU 21 48.787 20.500 11.779 168 HA LEU 21 HA LEU 21 51.169 19.220 10.980 169 HB2 LEU 21 HB2 LEU 21 49.049 18.395 12.968 170 HB3 LEU 21 HB3 LEU 21 50.578 17.541 12.761 171 HG LEU 21 HG LEU 21 50.427 20.509 13.329 172 HD11 LEU 21 HD11 LEU 21 49.522 19.669 15.304 173 HD12 LEU 21 HD12 LEU 21 51.245 19.600 15.668 174 HD13 LEU 21 HD13 LEU 21 50.391 18.140 15.173 175 HD21 LEU 21 HD21 LEU 21 52.586 18.426 13.143 176 HD22 LEU 21 HD22 LEU 21 52.811 19.786 14.240 177 HD23 LEU 21 HD23 LEU 21 52.572 20.075 12.517 178 H ARG 22 H ARG 22 47.774 18.328 10.516 179 HA ARG 22 HA ARG 22 48.219 15.714 9.553 180 HB2 ARG 22 HB2 ARG 22 46.013 16.605 10.291 181 HB3 ARG 22 HB3 ARG 22 45.961 17.595 8.832 182 HG2 ARG 22 HG2 ARG 22 46.130 15.543 7.449 183 HG3 ARG 22 HG3 ARG 22 46.123 14.567 8.919 184 HD2 ARG 22 HD2 ARG 22 43.914 15.557 9.520 185 HD3 ARG 22 HD3 ARG 22 43.911 16.412 7.979 186 HE ARG 22 HE ARG 22 43.338 14.429 6.937 187 HH11 ARG 22 HH11 ARG 22 44.545 13.662 10.144 188 HH12 ARG 22 HH12 ARG 22 44.113 11.989 10.015 189 HH21 ARG 22 HH21 ARG 22 42.805 12.266 6.830 190 HH22 ARG 22 HH22 ARG 22 43.141 11.210 8.161 191 H GLY 23 H GLY 23 47.978 18.832 7.862 192 HA2 GLY 23 HA2 GLY 23 48.058 17.859 5.235 193 HA3 GLY 23 HA3 GLY 23 48.603 19.455 5.737 194 H GLN 24 H GLN 24 50.665 18.400 7.549 195 HA GLN 24 HA GLN 24 52.704 17.892 5.542 196 HB2 GLN 24 HB2 GLN 24 52.887 18.354 8.517 197 HB3 GLN 24 HB3 GLN 24 54.280 18.131 7.456 198 HG2 GLN 24 HG2 GLN 24 53.603 20.065 6.115 199 HG3 GLN 24 HG3 GLN 24 52.167 20.276 7.114 200 HE21 GLN 24 HE21 GLN 24 54.178 22.322 6.820 201 HE22 GLN 24 HE22 GLN 24 54.917 22.544 8.330 202 H GLY 25 H GLY 25 50.688 15.740 6.892 203 HA2 GLY 25 HA2 GLY 25 50.895 13.427 6.539 204 HA3 GLY 25 HA3 GLY 25 52.639 13.612 6.464 205 H VAL 26 H VAL 26 51.120 15.136 9.173 206 HA VAL 26 HA VAL 26 52.136 13.001 10.926 207 HB VAL 26 HB VAL 26 51.266 15.818 11.628 208 HG11 VAL 26 HG11 VAL 26 52.298 15.386 13.773 209 HG12 VAL 26 HG12 VAL 26 52.882 13.814 13.227 210 HG13 VAL 26 HG13 VAL 26 51.155 14.082 13.454 211 HG21 VAL 26 HG21 VAL 26 53.829 16.022 11.982 212 HG22 VAL 26 HG22 VAL 26 53.222 16.086 10.328 213 HG23 VAL 26 HG23 VAL 26 53.942 14.599 10.947 214 H GLN 27 H GLN 27 50.831 11.916 12.340 215 HA GLN 27 HA GLN 27 47.961 12.032 11.843 216 HB2 GLN 27 HB2 GLN 27 49.575 10.265 13.699 217 HB3 GLN 27 HB3 GLN 27 47.866 10.063 13.315 218 HG2 GLN 27 HG2 GLN 27 48.497 9.821 10.901 219 HG3 GLN 27 HG3 GLN 27 50.193 9.855 11.385 220 HE21 GLN 27 HE21 GLN 27 51.085 7.946 12.355 221 HE22 GLN 27 HE22 GLN 27 50.198 6.508 12.528 222 H VAL 28 H VAL 28 46.494 12.963 13.188 223 HA VAL 28 HA VAL 28 47.566 14.219 15.657 224 HB VAL 28 HB VAL 28 45.462 15.359 13.804 225 HG11 VAL 28 HG11 VAL 28 45.050 16.297 15.898 226 HG12 VAL 28 HG12 VAL 28 46.213 17.441 15.236 227 HG13 VAL 28 HG13 VAL 28 46.742 16.212 16.382 228 HG21 VAL 28 HG21 VAL 28 47.432 15.612 12.558 229 HG22 VAL 28 HG22 VAL 28 48.441 15.756 13.997 230 HG23 VAL 28 HG23 VAL 28 47.410 17.099 13.504 231 H ASP 29 H ASP 29 46.540 13.809 17.478 232 HA ASP 29 HA ASP 29 43.638 13.293 17.400 233 HB2 ASP 29 HB2 ASP 29 44.849 11.119 17.663 234 HB3 ASP 29 HB3 ASP 29 45.584 11.750 19.135 235 H TYR 30 H TYR 30 42.541 14.494 18.894 236 HA TYR 30 HA TYR 30 44.162 15.930 20.922 237 HB2 TYR 30 HB2 TYR 30 42.584 17.727 20.806 238 HB3 TYR 30 HB3 TYR 30 43.151 17.362 19.191 239 HD1 TYR 30 HD1 TYR 30 40.293 17.619 21.392 240 HD2 TYR 30 HD2 TYR 30 41.654 16.068 17.623 241 HE1 TYR 30 HE1 TYR 30 37.940 17.381 20.641 242 HE2 TYR 30 HE2 TYR 30 39.300 15.830 16.873 243 HH TYR 30 HH TYR 30 37.133 15.815 17.661 244 H LEU 31 H LEU 31 43.527 15.927 23.028 245 HA LEU 31 HA LEU 31 41.443 13.940 23.709 246 HB2 LEU 31 HB2 LEU 31 43.756 13.246 24.193 247 HB3 LEU 31 HB3 LEU 31 43.957 14.665 25.218 248 HG LEU 31 HG LEU 31 41.946 13.817 26.554 249 HD11 LEU 31 HD11 LEU 31 40.901 12.224 25.193 250 HD12 LEU 31 HD12 LEU 31 41.822 11.213 26.308 251 HD13 LEU 31 HD13 LEU 31 42.433 11.516 24.681 252 HD21 LEU 31 HD21 LEU 31 43.348 12.085 27.727 253 HD22 LEU 31 HD22 LEU 31 44.188 13.608 27.443 254 HD23 LEU 31 HD23 LEU 31 44.514 12.216 26.411 255 HA PRO 32 HA PRO 32 39.549 17.682 25.689 256 HB2 PRO 32 HB2 PRO 32 37.956 15.483 26.948 257 HB3 PRO 32 HB3 PRO 32 37.405 17.024 26.261 258 HG2 PRO 32 HG2 PRO 32 37.099 14.735 24.946 259 HG3 PRO 32 HG3 PRO 32 37.476 16.250 24.106 260 HD2 PRO 32 HD2 PRO 32 39.235 13.909 24.619 261 HD3 PRO 32 HD3 PRO 32 39.292 15.099 23.302 262 H LEU 33 H LEU 33 40.096 18.608 27.615 263 HA LEU 33 HA LEU 33 42.099 17.343 29.156 264 HB2 LEU 33 HB2 LEU 33 40.556 19.829 29.901 265 HB3 LEU 33 HB3 LEU 33 42.142 19.348 30.491 266 HG LEU 33 HG LEU 33 41.432 20.085 27.639 267 HD11 LEU 33 HD11 LEU 33 41.927 21.814 29.702 268 HD12 LEU 33 HD12 LEU 33 42.292 22.156 28.017 269 HD13 LEU 33 HD13 LEU 33 43.562 21.572 29.084 270 HD21 LEU 33 HD21 LEU 33 44.074 19.996 27.514 271 HD22 LEU 33 HD22 LEU 33 43.124 18.524 27.308 272 HD23 LEU 33 HD23 LEU 33 43.884 18.873 28.862 273 H ASP 34 H ASP 34 38.714 17.046 29.434 274 HA ASP 34 HA ASP 34 38.594 16.789 32.295 275 HB2 ASP 34 HB2 ASP 34 36.633 16.028 30.128 276 HB3 ASP 34 HB3 ASP 34 36.295 15.953 31.855 277 H TYR 35 H TYR 35 39.860 14.669 29.974 278 HA TYR 35 HA TYR 35 38.799 12.196 30.762 279 HB2 TYR 35 HB2 TYR 35 41.269 13.107 29.383 280 HB3 TYR 35 HB3 TYR 35 41.271 11.472 30.013 281 HD1 TYR 35 HD1 TYR 35 40.408 9.749 28.707 282 HD2 TYR 35 HD2 TYR 35 39.166 13.790 27.949 283 HE1 TYR 35 HE1 TYR 35 39.144 8.987 26.715 284 HE2 TYR 35 HE2 TYR 35 37.904 13.028 25.956 285 HH TYR 35 HH TYR 35 38.289 10.582 24.385 286 HA PRO 36 HA PRO 36 40.642 11.710 34.750 287 HB2 PRO 36 HB2 PRO 36 40.593 9.031 35.114 288 HB3 PRO 36 HB3 PRO 36 39.109 10.004 35.057 289 HG2 PRO 36 HG2 PRO 36 40.323 8.289 32.954 290 HG3 PRO 36 HG3 PRO 36 38.618 8.519 33.382 291 HD2 PRO 36 HD2 PRO 36 39.846 9.769 31.247 292 HD3 PRO 36 HD3 PRO 36 38.401 10.387 32.070 293 H ALA 37 H ALA 37 42.542 11.172 35.869 294 HA ALA 37 HA ALA 37 44.933 11.192 34.456 295 HB1 ALA 37 HB1 ALA 37 44.555 11.736 36.914 296 HB2 ALA 37 HB2 ALA 37 46.028 10.841 36.538 297 HB3 ALA 37 HB3 ALA 37 44.631 10.000 37.212 298 H GLY 38 H GLY 38 46.581 9.599 34.170 299 HA2 GLY 38 HA2 GLY 38 47.354 7.369 33.981 300 HA3 GLY 38 HA3 GLY 38 45.712 6.799 34.260 301 H GLU 39 H GLU 39 44.456 8.554 32.295 302 HA GLU 39 HA GLU 39 44.592 6.839 30.069 303 HB2 GLU 39 HB2 GLU 39 43.534 9.666 30.287 304 HB3 GLU 39 HB3 GLU 39 43.263 8.600 28.907 305 HG2 GLU 39 HG2 GLU 39 42.458 7.998 31.768 306 HG3 GLU 39 HG3 GLU 39 41.368 8.538 30.499 307 H LEU 40 H LEU 40 46.224 9.904 30.757 308 HA LEU 40 HA LEU 40 47.205 10.433 28.174 309 HB2 LEU 40 HB2 LEU 40 47.279 12.027 30.089 310 HB3 LEU 40 HB3 LEU 40 48.550 11.046 30.819 311 HG LEU 40 HG LEU 40 49.850 11.358 28.637 312 HD11 LEU 40 HD11 LEU 40 47.658 13.419 28.272 313 HD12 LEU 40 HD12 LEU 40 48.052 12.083 27.191 314 HD13 LEU 40 HD13 LEU 40 49.174 13.432 27.371 315 HD21 LEU 40 HD21 LEU 40 50.305 12.589 30.770 316 HD22 LEU 40 HD22 LEU 40 49.211 13.861 30.227 317 HD23 LEU 40 HD23 LEU 40 50.696 13.534 29.334 318 H LEU 41 H LEU 41 48.591 8.561 30.859 319 HA LEU 41 HA LEU 41 51.083 8.034 29.641 320 HB2 LEU 41 HB2 LEU 41 50.539 7.718 32.070 321 HB3 LEU 41 HB3 LEU 41 49.621 6.281 31.628 322 HG LEU 41 HG LEU 41 51.826 5.560 30.410 323 HD11 LEU 41 HD11 LEU 41 53.829 6.435 31.699 324 HD12 LEU 41 HD12 LEU 41 52.768 7.687 32.347 325 HD13 LEU 41 HD13 LEU 41 53.075 7.601 30.613 326 HD21 LEU 41 HD21 LEU 41 52.713 4.829 32.791 327 HD22 LEU 41 HD22 LEU 41 51.188 4.189 32.182 328 HD23 LEU 41 HD23 LEU 41 51.186 5.514 33.345 329 H ALA 42 H ALA 42 48.040 6.196 29.664 330 HA ALA 42 HA ALA 42 49.049 3.896 28.390 331 HB1 ALA 42 HB1 ALA 42 46.224 4.979 28.261 332 HB2 ALA 42 HB2 ALA 42 46.867 4.005 29.585 333 HB3 ALA 42 HB3 ALA 42 46.725 3.314 27.968 334 H ARG 43 H ARG 43 47.511 6.807 27.048 335 HA ARG 43 HA ARG 43 47.458 5.937 24.363 336 HB2 ARG 43 HB2 ARG 43 47.657 8.737 25.498 337 HB3 ARG 43 HB3 ARG 43 47.305 8.358 23.811 338 HG2 ARG 43 HG2 ARG 43 45.312 7.074 24.526 339 HG3 ARG 43 HG3 ARG 43 45.649 7.503 26.203 340 HD2 ARG 43 HD2 ARG 43 44.001 9.058 25.389 341 HD3 ARG 43 HD3 ARG 43 45.526 9.927 25.521 342 HE ARG 43 HE ARG 43 45.429 10.266 23.250 343 HH11 ARG 43 HH11 ARG 43 43.479 7.435 23.969 344 HH12 ARG 43 HH12 ARG 43 42.966 7.249 22.326 345 HH21 ARG 43 HH21 ARG 43 44.732 9.974 21.151 346 HH22 ARG 43 HH22 ARG 43 43.665 8.669 20.752 347 H VAL 44 H VAL 44 49.961 7.641 26.224 348 HA VAL 44 HA VAL 44 51.646 8.256 24.063 349 HB VAL 44 HB VAL 44 52.355 7.680 26.953 350 HG11 VAL 44 HG11 VAL 44 54.312 7.573 25.382 351 HG12 VAL 44 HG12 VAL 44 54.416 8.901 26.539 352 HG13 VAL 44 HG13 VAL 44 53.937 9.220 24.871 353 HG21 VAL 44 HG21 VAL 44 50.700 9.602 26.209 354 HG22 VAL 44 HG22 VAL 44 52.182 10.409 25.707 355 HG23 VAL 44 HG23 VAL 44 51.965 9.932 27.390 356 H ARG 45 H ARG 45 51.525 5.388 26.166 357 HA ARG 45 HA ARG 45 53.801 4.150 24.970 358 HB2 ARG 45 HB2 ARG 45 53.010 3.670 27.270 359 HB3 ARG 45 HB3 ARG 45 51.584 2.889 26.596 360 HG2 ARG 45 HG2 ARG 45 53.093 1.116 27.044 361 HG3 ARG 45 HG3 ARG 45 53.225 1.375 25.308 362 HD2 ARG 45 HD2 ARG 45 55.225 2.805 25.702 363 HD3 ARG 45 HD3 ARG 45 55.105 2.460 27.424 364 HE ARG 45 HE ARG 45 56.114 0.435 27.004 365 HH11 ARG 45 HH11 ARG 45 54.677 1.538 23.996 366 HH12 ARG 45 HH12 ARG 45 55.326 0.215 23.085 367 HH21 ARG 45 HH21 ARG 45 56.922 -1.244 25.779 368 HH22 ARG 45 HH22 ARG 45 56.580 -1.340 24.083 369 H ALA 46 H ALA 46 50.291 3.583 24.594 370 HA ALA 46 HA ALA 46 50.578 1.263 23.015 371 HB1 ALA 46 HB1 ALA 46 48.503 1.627 24.129 372 HB2 ALA 46 HB2 ALA 46 48.167 1.730 22.401 373 HB3 ALA 46 HB3 ALA 46 48.292 3.203 23.364 374 H GLU 47 H GLU 47 50.003 4.665 22.073 375 HA GLU 47 HA GLU 47 50.220 3.919 19.266 376 HB2 GLU 47 HB2 GLU 47 49.587 6.506 20.660 377 HB3 GLU 47 HB3 GLU 47 49.842 6.408 18.917 378 HG2 GLU 47 HG2 GLU 47 47.493 6.167 19.233 379 HG3 GLU 47 HG3 GLU 47 48.100 4.552 18.889 380 H ARG 48 H ARG 48 52.486 4.680 21.636 381 HA ARG 48 HA ARG 48 54.690 5.321 21.551 382 HB2 ARG 48 HB2 ARG 48 54.329 4.455 18.672 383 HB3 ARG 48 HB3 ARG 48 55.888 4.790 19.427 384 HG2 ARG 48 HG2 ARG 48 55.369 3.060 21.158 385 HG3 ARG 48 HG3 ARG 48 53.895 2.667 20.271 386 HD2 ARG 48 HD2 ARG 48 56.728 2.458 19.212 387 HD3 ARG 48 HD3 ARG 48 55.679 1.112 19.649 388 HE ARG 48 HE ARG 48 54.180 2.338 17.808 389 HH11 ARG 48 HH11 ARG 48 57.601 1.555 17.721 390 HH12 ARG 48 HH12 ARG 48 57.626 1.405 15.996 391 HH21 ARG 48 HH21 ARG 48 54.273 2.133 15.588 392 HH22 ARG 48 HH22 ARG 48 55.764 1.729 14.805 393 H LEU 49 H LEU 49 53.278 7.457 21.729 394 HA LEU 49 HA LEU 49 53.145 9.209 19.504 395 HB2 LEU 49 HB2 LEU 49 53.132 9.820 22.469 396 HB3 LEU 49 HB3 LEU 49 52.726 10.975 21.201 397 HG LEU 49 HG LEU 49 51.298 8.331 21.594 398 HD11 LEU 49 HD11 LEU 49 49.635 9.447 22.814 399 HD12 LEU 49 HD12 LEU 49 50.139 11.035 22.232 400 HD13 LEU 49 HD13 LEU 49 51.110 10.189 23.437 401 HD21 LEU 49 HD21 LEU 49 50.922 8.976 19.376 402 HD22 LEU 49 HD22 LEU 49 51.007 10.696 19.757 403 HD23 LEU 49 HD23 LEU 49 49.578 9.762 20.203 404 H ASN 50 H ASN 50 54.460 10.796 18.791 405 HA ASN 50 HA ASN 50 57.261 10.637 19.544 406 HB2 ASN 50 HB2 ASN 50 55.800 12.255 17.445 407 HB3 ASN 50 HB3 ASN 50 57.544 12.289 17.686 408 HD21 ASN 50 HD21 ASN 50 58.737 10.718 16.589 409 HD22 ASN 50 HD22 ASN 50 58.064 9.355 15.837 410 H GLY 51 H GLY 51 54.573 12.961 19.698 411 HA2 GLY 51 HA2 GLY 51 56.082 14.539 21.643 412 HA3 GLY 51 HA3 GLY 51 55.754 15.335 20.114 413 H LEU 52 H LEU 52 54.919 16.451 22.392 414 HA LEU 52 HA LEU 52 51.976 16.136 22.302 415 HB2 LEU 52 HB2 LEU 52 53.641 17.028 24.673 416 HB3 LEU 52 HB3 LEU 52 51.889 16.843 24.637 417 HG LEU 52 HG LEU 52 53.865 14.592 24.164 418 HD11 LEU 52 HD11 LEU 52 53.019 13.808 26.407 419 HD12 LEU 52 HD12 LEU 52 52.227 15.373 26.592 420 HD13 LEU 52 HD13 LEU 52 53.985 15.282 26.483 421 HD21 LEU 52 HD21 LEU 52 50.848 14.702 24.445 422 HD22 LEU 52 HD22 LEU 52 51.779 13.205 24.503 423 HD23 LEU 52 HD23 LEU 52 51.764 14.177 23.032 424 H VAL 53 H VAL 53 50.782 18.043 22.154 425 HA VAL 53 HA VAL 53 52.348 20.540 21.806 426 HB VAL 53 HB VAL 53 49.860 19.703 20.289 427 HG11 VAL 53 HG11 VAL 53 50.153 22.163 20.664 428 HG12 VAL 53 HG12 VAL 53 50.253 21.706 18.964 429 HG13 VAL 53 HG13 VAL 53 51.725 22.058 19.870 430 HG21 VAL 53 HG21 VAL 53 51.220 19.231 18.429 431 HG22 VAL 53 HG22 VAL 53 52.136 18.527 19.758 432 HG23 VAL 53 HG23 VAL 53 52.599 20.095 19.100 433 H VAL 54 H VAL 54 51.708 22.224 23.041 434 HA VAL 54 HA VAL 54 48.927 22.226 24.066 435 HB VAL 54 HB VAL 54 49.811 23.517 26.043 436 HG11 VAL 54 HG11 VAL 54 50.339 20.618 25.510 437 HG12 VAL 54 HG12 VAL 54 49.148 21.371 26.573 438 HG13 VAL 54 HG13 VAL 54 50.844 21.320 27.050 439 HG21 VAL 54 HG21 VAL 54 52.100 23.535 26.572 440 HG22 VAL 54 HG22 VAL 54 52.091 23.883 24.842 441 HG23 VAL 54 HG23 VAL 54 52.476 22.259 25.413 442 H SER 55 H SER 55 47.833 24.107 23.996 443 HA SER 55 HA SER 55 49.065 26.273 22.447 444 HB2 SER 55 HB2 SER 55 46.832 25.226 21.815 445 HB3 SER 55 HB3 SER 55 46.166 26.032 23.231 446 HG SER 55 HG SER 55 46.893 27.055 20.857 447 H SER 56 H SER 56 48.156 25.580 25.726 448 HA SER 56 HA SER 56 48.696 28.344 26.475 449 HB2 SER 56 HB2 SER 56 46.605 28.708 27.615 450 HB3 SER 56 HB3 SER 56 46.249 28.256 25.951 451 HG SER 56 HG SER 56 45.021 26.985 27.236 452 H GLY 57 H GLY 57 48.843 28.640 28.811 453 HA2 GLY 57 HA2 GLY 57 50.370 26.686 30.093 454 HA3 GLY 57 HA3 GLY 57 49.568 28.024 30.909 455 H GLN 58 H GLN 58 46.877 27.310 30.232 456 HA GLN 58 HA GLN 58 46.254 25.644 32.402 457 HB2 GLN 58 HB2 GLN 58 44.611 26.345 29.958 458 HB3 GLN 58 HB3 GLN 58 43.970 25.560 31.401 459 HG2 GLN 58 HG2 GLN 58 44.631 27.470 32.775 460 HG3 GLN 58 HG3 GLN 58 45.369 28.248 31.378 461 HE21 GLN 58 HE21 GLN 58 43.269 29.511 32.858 462 HE22 GLN 58 HE22 GLN 58 41.899 29.609 31.860 463 H GLY 59 H GLY 59 46.420 24.910 28.917 464 HA2 GLY 59 HA2 GLY 59 45.619 22.222 29.059 465 HA3 GLY 59 HA3 GLY 59 46.648 22.908 27.802 466 H LEU 60 H LEU 60 48.838 23.710 29.299 467 HA LEU 60 HA LEU 60 50.371 21.373 29.406 468 HB2 LEU 60 HB2 LEU 60 51.275 23.679 29.169 469 HB3 LEU 60 HB3 LEU 60 50.897 23.971 30.867 470 HG LEU 60 HG LEU 60 52.327 21.959 31.434 471 HD11 LEU 60 HD11 LEU 60 52.521 20.718 29.463 472 HD12 LEU 60 HD12 LEU 60 54.067 21.563 29.508 473 HD13 LEU 60 HD13 LEU 60 52.772 22.152 28.467 474 HD21 LEU 60 HD21 LEU 60 54.270 23.260 31.523 475 HD22 LEU 60 HD22 LEU 60 53.025 24.493 31.331 476 HD23 LEU 60 HD23 LEU 60 53.979 23.980 29.940 477 H GLN 61 H GLN 61 48.775 23.179 32.005 478 HA GLN 61 HA GLN 61 49.779 21.677 34.165 479 HB2 GLN 61 HB2 GLN 61 47.158 23.166 33.892 480 HB3 GLN 61 HB3 GLN 61 47.797 22.537 35.408 481 HG2 GLN 61 HG2 GLN 61 49.171 24.569 33.626 482 HG3 GLN 61 HG3 GLN 61 48.345 24.927 35.139 483 HE21 GLN 61 HE21 GLN 61 51.383 24.741 34.045 484 HE22 GLN 61 HE22 GLN 61 52.168 24.058 35.385 485 H ASN 62 H ASN 62 46.854 21.253 32.193 486 HA ASN 62 HA ASN 62 45.758 19.080 33.585 487 HB2 ASN 62 HB2 ASN 62 45.631 19.857 30.673 488 HB3 ASN 62 HB3 ASN 62 44.735 18.490 31.331 489 HD21 ASN 62 HD21 ASN 62 44.540 21.820 30.750 490 HD22 ASN 62 HD22 ASN 62 43.240 22.167 31.781 491 H LEU 63 H LEU 63 48.167 19.178 30.991 492 HA LEU 63 HA LEU 63 48.371 16.425 30.508 493 HB2 LEU 63 HB2 LEU 63 49.432 18.238 29.131 494 HB3 LEU 63 HB3 LEU 63 50.634 18.434 30.405 495 HG LEU 63 HG LEU 63 51.051 15.897 30.144 496 HD11 LEU 63 HD11 LEU 63 49.055 15.400 28.806 497 HD12 LEU 63 HD12 LEU 63 50.509 15.035 27.875 498 HD13 LEU 63 HD13 LEU 63 49.602 16.511 27.550 499 HD21 LEU 63 HD21 LEU 63 51.762 17.580 27.732 500 HD22 LEU 63 HD22 LEU 63 52.720 16.306 28.489 501 HD23 LEU 63 HD23 LEU 63 52.496 17.850 29.313 502 H TYR 64 H TYR 64 50.063 18.493 32.830 503 HA TYR 64 HA TYR 64 51.839 16.563 33.844 504 HB2 TYR 64 HB2 TYR 64 51.920 19.042 34.219 505 HB3 TYR 64 HB3 TYR 64 50.590 18.864 35.346 506 HD1 TYR 64 HD1 TYR 64 50.932 17.859 37.545 507 HD2 TYR 64 HD2 TYR 64 54.166 18.227 34.737 508 HE1 TYR 64 HE1 TYR 64 52.562 17.389 39.355 509 HE2 TYR 64 HE2 TYR 64 55.784 17.762 36.538 510 HH TYR 64 HH TYR 64 55.921 17.784 38.923 511 H GLN 65 H GLN 65 48.605 17.543 34.950 512 HA GLN 65 HA GLN 65 48.527 15.925 37.252 513 HB2 GLN 65 HB2 GLN 65 46.277 16.947 35.506 514 HB3 GLN 65 HB3 GLN 65 46.053 16.208 37.093 515 HG2 GLN 65 HG2 GLN 65 47.421 17.947 38.132 516 HG3 GLN 65 HG3 GLN 65 47.747 18.664 36.557 517 HE21 GLN 65 HE21 GLN 65 46.487 20.160 38.648 518 HE22 GLN 65 HE22 GLN 65 44.889 20.490 38.179 519 H LEU 66 H LEU 66 47.452 15.292 33.928 520 HA LEU 66 HA LEU 66 46.351 12.738 34.451 521 HB2 LEU 66 HB2 LEU 66 47.466 13.873 31.875 522 HB3 LEU 66 HB3 LEU 66 46.495 12.408 32.000 523 HG LEU 66 HG LEU 66 45.569 15.146 32.919 524 HD11 LEU 66 HD11 LEU 66 43.985 14.725 30.865 525 HD12 LEU 66 HD12 LEU 66 45.276 13.651 30.325 526 HD13 LEU 66 HD13 LEU 66 45.606 15.363 30.588 527 HD21 LEU 66 HD21 LEU 66 43.319 13.811 32.678 528 HD22 LEU 66 HD22 LEU 66 44.306 13.578 34.121 529 HD23 LEU 66 HD23 LEU 66 44.358 12.392 32.817 530 H ALA 67 H ALA 67 49.613 13.773 33.573 531 HA ALA 67 HA ALA 67 50.746 11.266 33.049 532 HB1 ALA 67 HB1 ALA 67 51.961 13.296 32.563 533 HB2 ALA 67 HB2 ALA 67 52.891 12.365 33.737 534 HB3 ALA 67 HB3 ALA 67 51.952 13.761 34.264 535 H ALA 68 H ALA 68 50.296 13.005 36.112 536 HA ALA 68 HA ALA 68 50.213 12.233 38.271 537 HB1 ALA 68 HB1 ALA 68 49.925 9.401 37.404 538 HB2 ALA 68 HB2 ALA 68 48.717 10.534 36.797 539 HB3 ALA 68 HB3 ALA 68 48.950 10.339 38.535 540 H ALA 69 H ALA 69 51.267 9.280 38.812 541 HA ALA 69 HA ALA 69 53.752 10.145 39.792 542 HB1 ALA 69 HB1 ALA 69 52.480 8.251 40.721 543 HB2 ALA 69 HB2 ALA 69 54.139 7.798 40.329 544 HB3 ALA 69 HB3 ALA 69 52.818 7.318 39.263 545 H ASP 70 H ASP 70 52.913 9.103 36.590 546 HA ASP 70 HA ASP 70 55.623 8.134 36.035 547 HB2 ASP 70 HB2 ASP 70 53.116 8.183 34.358 548 HB3 ASP 70 HB3 ASP 70 54.668 7.556 33.806 549 H TRP 71 H TRP 71 54.554 11.165 36.266 550 HA TRP 71 HA TRP 71 54.976 12.475 33.902 551 HB2 TRP 71 HB2 TRP 71 54.255 13.686 35.787 552 HB3 TRP 71 HB3 TRP 71 55.665 13.249 36.719 553 HD1 TRP 71 HD1 TRP 71 57.356 15.090 36.949 554 HE1 TRP 71 HE1 TRP 71 57.978 17.213 35.632 555 HE3 TRP 71 HE3 TRP 71 54.212 14.623 32.943 556 HZ2 TRP 71 HZ2 TRP 71 57.277 18.527 33.201 557 HZ3 TRP 71 HZ3 TRP 71 54.221 16.321 31.142 558 HH2 TRP 71 HH2 TRP 71 55.750 18.272 31.263 559 HA PRO 72 HA PRO 72 59.882 12.479 34.805 560 HB2 PRO 72 HB2 PRO 72 59.815 9.577 35.560 561 HB3 PRO 72 HB3 PRO 72 60.978 10.837 36.023 562 HG2 PRO 72 HG2 PRO 72 59.079 10.023 37.695 563 HG3 PRO 72 HG3 PRO 72 59.602 11.715 37.629 564 HD2 PRO 72 HD2 PRO 72 57.060 10.513 36.703 565 HD3 PRO 72 HD3 PRO 72 57.411 12.187 37.178 566 H GLU 73 H GLU 73 57.979 9.648 33.701 567 HA GLU 73 HA GLU 73 59.838 9.074 31.563 568 HB2 GLU 73 HB2 GLU 73 57.072 8.011 32.174 569 HB3 GLU 73 HB3 GLU 73 58.095 7.427 30.861 570 HG2 GLU 73 HG2 GLU 73 58.523 5.928 32.637 571 HG3 GLU 73 HG3 GLU 73 59.890 7.036 32.659 572 H ILE 74 H ILE 74 56.552 10.411 31.796 573 HA ILE 74 HA ILE 74 56.110 10.716 29.038 574 HB ILE 74 HB ILE 74 54.955 12.251 31.381 575 HG12 ILE 74 HG12 ILE 74 53.817 9.927 29.808 576 HG13 ILE 74 HG13 ILE 74 54.714 9.721 31.309 577 HG21 ILE 74 HG21 ILE 74 54.642 13.381 29.143 578 HG22 ILE 74 HG22 ILE 74 53.138 12.871 29.906 579 HG23 ILE 74 HG23 ILE 74 53.821 11.921 28.585 580 HD11 ILE 74 HD11 ILE 74 52.054 9.955 31.287 581 HD12 ILE 74 HD12 ILE 74 52.448 11.671 31.324 582 HD13 ILE 74 HD13 ILE 74 53.028 10.605 32.602 583 H GLY 75 H GLY 75 57.610 12.874 31.385 584 HA2 GLY 75 HA2 GLY 75 57.676 15.228 29.851 585 HA3 GLY 75 HA3 GLY 75 58.753 14.848 31.184 586 H ARG 76 H ARG 76 59.437 12.324 29.399 587 HA ARG 76 HA ARG 76 61.857 13.309 28.324 588 HB2 ARG 76 HB2 ARG 76 60.339 10.746 27.793 589 HB3 ARG 76 HB3 ARG 76 62.007 11.052 27.300 590 HG2 ARG 76 HG2 ARG 76 62.673 11.387 29.621 591 HG3 ARG 76 HG3 ARG 76 61.007 11.189 30.158 592 HD2 ARG 76 HD2 ARG 76 62.142 9.106 30.525 593 HD3 ARG 76 HD3 ARG 76 61.050 8.878 29.163 594 HE ARG 76 HE ARG 76 62.904 8.704 27.742 595 HH11 ARG 76 HH11 ARG 76 63.970 9.608 30.964 596 HH12 ARG 76 HH12 ARG 76 65.633 9.277 30.613 597 HH21 ARG 76 HH21 ARG 76 65.061 8.295 27.352 598 HH22 ARG 76 HH22 ARG 76 66.241 8.542 28.594 599 H LEU 77 H LEU 77 58.638 12.958 26.948 600 HA LEU 77 HA LEU 77 59.489 12.976 24.224 601 HB2 LEU 77 HB2 LEU 77 56.791 13.526 25.473 602 HB3 LEU 77 HB3 LEU 77 57.074 13.356 23.740 603 HG LEU 77 HG LEU 77 58.014 11.211 25.623 604 HD11 LEU 77 HD11 LEU 77 55.301 11.081 24.335 605 HD12 LEU 77 HD12 LEU 77 55.487 11.874 25.899 606 HD13 LEU 77 HD13 LEU 77 55.920 10.174 25.714 607 HD21 LEU 77 HD21 LEU 77 57.226 11.425 22.712 608 HD22 LEU 77 HD22 LEU 77 57.393 9.864 23.517 609 HD23 LEU 77 HD23 LEU 77 58.782 10.943 23.388 610 HA PRO 78 HA PRO 78 60.109 17.428 23.836 611 HB2 PRO 78 HB2 PRO 78 59.056 17.214 21.068 612 HB3 PRO 78 HB3 PRO 78 60.621 17.813 21.646 613 HG2 PRO 78 HG2 PRO 78 60.355 15.465 20.395 614 HG3 PRO 78 HG3 PRO 78 61.567 15.744 21.658 615 HD2 PRO 78 HD2 PRO 78 59.004 14.225 21.827 616 HD3 PRO 78 HD3 PRO 78 60.540 13.949 22.669 617 H LEU 79 H LEU 79 58.833 19.103 24.392 618 HA LEU 79 HA LEU 79 55.937 18.943 23.798 619 HB2 LEU 79 HB2 LEU 79 56.622 19.049 26.200 620 HB3 LEU 79 HB3 LEU 79 57.344 20.625 25.882 621 HG LEU 79 HG LEU 79 55.067 21.347 24.988 622 HD11 LEU 79 HD11 LEU 79 54.400 18.653 26.176 623 HD12 LEU 79 HD12 LEU 79 53.946 19.298 24.599 624 HD13 LEU 79 HD13 LEU 79 53.188 19.929 26.062 625 HD21 LEU 79 HD21 LEU 79 54.380 22.034 27.122 626 HD22 LEU 79 HD22 LEU 79 56.091 21.690 27.376 627 HD23 LEU 79 HD23 LEU 79 54.872 20.517 27.874 628 H PHE 80 H PHE 80 55.111 20.328 22.369 629 HA PHE 80 HA PHE 80 56.704 22.578 21.377 630 HB2 PHE 80 HB2 PHE 80 53.995 21.503 20.571 631 HB3 PHE 80 HB3 PHE 80 54.791 22.856 19.804 632 HD1 PHE 80 HD1 PHE 80 54.340 19.313 19.861 633 HD2 PHE 80 HD2 PHE 80 57.083 22.399 18.678 634 HE1 PHE 80 HE1 PHE 80 55.411 17.747 18.268 635 HE2 PHE 80 HE2 PHE 80 58.161 20.827 17.087 636 HZ PHE 80 HZ PHE 80 57.312 18.509 16.873 637 H VAL 81 H VAL 81 56.415 24.607 22.167 638 HA VAL 81 HA VAL 81 53.813 25.269 23.425 639 HB VAL 81 HB VAL 81 55.002 26.860 24.841 640 HG11 VAL 81 HG11 VAL 81 54.723 24.422 25.468 641 HG12 VAL 81 HG12 VAL 81 56.035 25.259 26.299 642 HG13 VAL 81 HG13 VAL 81 56.393 24.175 24.954 643 HG21 VAL 81 HG21 VAL 81 57.650 26.400 24.785 644 HG22 VAL 81 HG22 VAL 81 56.898 27.644 23.788 645 HG23 VAL 81 HG23 VAL 81 57.295 26.077 23.089 646 HA PRO 82 HA PRO 82 53.522 28.251 20.207 647 HB2 PRO 82 HB2 PRO 82 51.622 29.931 21.133 648 HB3 PRO 82 HB3 PRO 82 51.263 28.251 20.688 649 HG2 PRO 82 HG2 PRO 82 51.590 29.466 23.369 650 HG3 PRO 82 HG3 PRO 82 50.508 28.168 22.836 651 HD2 PRO 82 HD2 PRO 82 52.921 27.791 24.191 652 HD3 PRO 82 HD3 PRO 82 52.053 26.547 23.271 653 H SER 83 H SER 83 54.457 29.369 23.379 654 HA SER 83 HA SER 83 55.563 31.830 22.216 655 HB2 SER 83 HB2 SER 83 54.444 33.285 23.711 656 HB3 SER 83 HB3 SER 83 53.192 32.196 23.132 657 HG SER 83 HG SER 83 53.067 32.216 25.314 658 HA PRO 84 HA PRO 84 58.975 31.142 24.978 659 HB2 PRO 84 HB2 PRO 84 59.223 33.695 26.152 660 HB3 PRO 84 HB3 PRO 84 60.022 33.134 24.674 661 HG2 PRO 84 HG2 PRO 84 57.585 34.783 24.991 662 HG3 PRO 84 HG3 PRO 84 58.843 34.840 23.743 663 HD2 PRO 84 HD2 PRO 84 56.428 33.762 23.235 664 HD3 PRO 84 HD3 PRO 84 57.910 33.088 22.520 665 H ARG 85 H ARG 85 56.316 33.085 26.372 666 HA ARG 85 HA ARG 85 56.878 32.599 29.076 667 HB2 ARG 85 HB2 ARG 85 54.213 33.067 27.721 668 HB3 ARG 85 HB3 ARG 85 54.486 33.146 29.463 669 HG2 ARG 85 HG2 ARG 85 56.169 34.928 29.108 670 HG3 ARG 85 HG3 ARG 85 55.849 34.872 27.374 671 HD2 ARG 85 HD2 ARG 85 54.545 36.682 28.278 672 HD3 ARG 85 HD3 ARG 85 53.432 35.374 27.888 673 HE ARG 85 HE ARG 85 54.398 35.316 30.614 674 HH11 ARG 85 HH11 ARG 85 51.912 36.608 28.498 675 HH12 ARG 85 HH12 ARG 85 50.796 36.861 29.798 676 HH21 ARG 85 HH21 ARG 85 52.920 35.664 32.246 677 HH22 ARG 85 HH22 ARG 85 51.361 36.332 31.894 678 H VAL 86 H VAL 86 54.709 30.820 26.861 679 HA VAL 86 HA VAL 86 53.894 28.856 28.698 680 HB VAL 86 HB VAL 86 54.239 28.615 25.699 681 HG11 VAL 86 HG11 VAL 86 53.956 26.410 26.606 682 HG12 VAL 86 HG12 VAL 86 52.370 26.906 26.015 683 HG13 VAL 86 HG13 VAL 86 52.726 26.967 27.741 684 HG21 VAL 86 HG21 VAL 86 51.753 29.273 27.298 685 HG22 VAL 86 HG22 VAL 86 51.947 29.329 25.546 686 HG23 VAL 86 HG23 VAL 86 52.781 30.503 26.563 687 H ALA 87 H ALA 87 56.722 29.023 26.566 688 HA ALA 87 HA ALA 87 57.730 26.443 26.943 689 HB1 ALA 87 HB1 ALA 87 58.536 28.467 25.449 690 HB2 ALA 87 HB2 ALA 87 59.681 27.233 25.979 691 HB3 ALA 87 HB3 ALA 87 59.597 28.780 26.824 692 H GLU 88 H GLU 88 58.170 29.384 28.871 693 HA GLU 88 HA GLU 88 60.023 28.363 30.722 694 HB2 GLU 88 HB2 GLU 88 57.884 30.475 31.090 695 HB3 GLU 88 HB3 GLU 88 59.206 30.175 32.220 696 HG2 GLU 88 HG2 GLU 88 60.833 30.611 30.389 697 HG3 GLU 88 HG3 GLU 88 59.494 30.993 29.316 698 H MET 89 H MET 89 56.474 28.319 30.713 699 HA MET 89 HA MET 89 56.054 27.227 33.262 700 HB2 MET 89 HB2 MET 89 54.491 26.790 30.701 701 HB3 MET 89 HB3 MET 89 53.909 26.390 32.314 702 HG2 MET 89 HG2 MET 89 54.706 29.164 31.379 703 HG3 MET 89 HG3 MET 89 53.051 28.586 31.545 704 HE1 MET 89 HE1 MET 89 52.355 28.159 35.141 705 HE2 MET 89 HE2 MET 89 53.282 26.831 34.449 706 HE3 MET 89 HE3 MET 89 52.075 27.659 33.468 707 H ALA 90 H ALA 90 56.581 25.634 30.143 708 HA ALA 90 HA ALA 90 56.294 22.979 31.033 709 HB1 ALA 90 HB1 ALA 90 57.716 22.439 28.997 710 HB2 ALA 90 HB2 ALA 90 57.830 24.178 28.728 711 HB3 ALA 90 HB3 ALA 90 56.258 23.381 28.686 712 H ARG 91 H ARG 91 59.133 25.091 30.873 713 HA ARG 91 HA ARG 91 61.063 23.167 31.572 714 HB2 ARG 91 HB2 ARG 91 61.574 25.432 30.664 715 HB3 ARG 91 HB3 ARG 91 61.101 26.127 32.214 716 HG2 ARG 91 HG2 ARG 91 62.840 24.756 33.340 717 HG3 ARG 91 HG3 ARG 91 63.343 24.135 31.766 718 HD2 ARG 91 HD2 ARG 91 63.794 26.477 31.032 719 HD3 ARG 91 HD3 ARG 91 63.404 27.029 32.658 720 HE ARG 91 HE ARG 91 65.854 25.810 31.808 721 HH11 ARG 91 HH11 ARG 91 63.724 26.123 34.581 722 HH12 ARG 91 HH12 ARG 91 64.998 25.834 35.719 723 HH21 ARG 91 HH21 ARG 91 67.454 25.446 33.321 724 HH22 ARG 91 HH22 ARG 91 67.083 25.456 35.012 725 H GLU 92 H GLU 92 59.109 25.346 33.596 726 HA GLU 92 HA GLU 92 60.360 24.769 36.044 727 HB2 GLU 92 HB2 GLU 92 57.509 25.594 35.464 728 HB3 GLU 92 HB3 GLU 92 58.226 25.557 37.075 729 HG2 GLU 92 HG2 GLU 92 59.993 27.121 36.296 730 HG3 GLU 92 HG3 GLU 92 59.207 27.202 34.727 731 H LEU 93 H LEU 93 57.717 23.118 34.356 732 HA LEU 93 HA LEU 93 57.113 21.287 36.428 733 HB2 LEU 93 HB2 LEU 93 56.829 20.875 33.447 734 HB3 LEU 93 HB3 LEU 93 56.063 19.907 34.699 735 HG LEU 93 HG LEU 93 55.580 22.856 34.175 736 HD11 LEU 93 HD11 LEU 93 53.920 20.352 33.776 737 HD12 LEU 93 HD12 LEU 93 54.529 21.427 32.515 738 HD13 LEU 93 HD13 LEU 93 53.280 21.990 33.629 739 HD21 LEU 93 HD21 LEU 93 55.314 22.509 36.540 740 HD22 LEU 93 HD22 LEU 93 54.513 20.958 36.286 741 HD23 LEU 93 HD23 LEU 93 53.690 22.457 35.853 742 H GLY 94 H GLY 94 59.791 21.371 34.197 743 HA2 GLY 94 HA2 GLY 94 61.714 19.992 34.681 744 HA3 GLY 94 HA3 GLY 94 60.625 18.710 35.179 745 H ALA 95 H ALA 95 59.659 20.336 32.252 746 HA ALA 95 HA ALA 95 59.711 17.952 30.761 747 HB1 ALA 95 HB1 ALA 95 59.382 20.849 30.101 748 HB2 ALA 95 HB2 ALA 95 58.268 19.505 29.844 749 HB3 ALA 95 HB3 ALA 95 59.660 19.713 28.782 750 H GLN 96 H GLN 96 61.292 16.908 29.759 751 HA GLN 96 HA GLN 96 63.979 17.701 30.278 752 HB2 GLN 96 HB2 GLN 96 62.870 15.446 28.592 753 HB3 GLN 96 HB3 GLN 96 64.559 15.617 29.078 754 HG2 GLN 96 HG2 GLN 96 63.869 15.591 31.456 755 HG3 GLN 96 HG3 GLN 96 62.194 15.378 30.960 756 HE21 GLN 96 HE21 GLN 96 62.293 13.295 32.220 757 HE22 GLN 96 HE22 GLN 96 62.978 11.928 31.497 758 H ARG 97 H ARG 97 61.921 17.749 27.407 759 HA ARG 97 HA ARG 97 63.977 19.398 26.067 760 HB2 ARG 97 HB2 ARG 97 63.960 17.101 25.107 761 HB3 ARG 97 HB3 ARG 97 62.253 17.299 24.725 762 HG2 ARG 97 HG2 ARG 97 63.388 17.839 22.715 763 HG3 ARG 97 HG3 ARG 97 62.963 19.399 23.415 764 HD2 ARG 97 HD2 ARG 97 65.238 19.550 24.405 765 HD3 ARG 97 HD3 ARG 97 65.652 18.018 23.641 766 HE ARG 97 HE ARG 97 64.684 19.787 21.670 767 HH11 ARG 97 HH11 ARG 97 67.494 19.413 23.742 768 HH12 ARG 97 HH12 ARG 97 68.541 20.239 22.638 769 HH21 ARG 97 HH21 ARG 97 66.082 20.842 20.289 770 HH22 ARG 97 HH22 ARG 97 67.751 21.037 20.708 771 H VAL 98 H VAL 98 63.166 21.365 25.758 772 HA VAL 98 HA VAL 98 60.250 21.652 25.294 773 HB VAL 98 HB VAL 98 62.176 23.670 26.477 774 HG11 VAL 98 HG11 VAL 98 60.444 24.910 25.474 775 HG12 VAL 98 HG12 VAL 98 59.870 24.691 27.127 776 HG13 VAL 98 HG13 VAL 98 59.232 23.679 25.832 777 HG21 VAL 98 HG21 VAL 98 59.988 22.038 27.813 778 HG22 VAL 98 HG22 VAL 98 61.042 23.212 28.599 779 HG23 VAL 98 HG23 VAL 98 61.714 21.711 27.964 780 H ILE 99 H ILE 99 59.602 22.528 23.447 781 HA ILE 99 HA ILE 99 61.629 23.710 21.643 782 HB ILE 99 HB ILE 99 59.220 21.991 20.991 783 HG12 ILE 99 HG12 ILE 99 62.165 21.432 20.563 784 HG13 ILE 99 HG13 ILE 99 61.270 20.871 21.973 785 HG21 ILE 99 HG21 ILE 99 61.010 23.680 19.308 786 HG22 ILE 99 HG22 ILE 99 59.309 23.267 19.089 787 HG23 ILE 99 HG23 ILE 99 60.560 22.102 18.661 788 HD11 ILE 99 HD11 ILE 99 61.385 19.133 20.200 789 HD12 ILE 99 HD12 ILE 99 60.555 20.229 19.097 790 HD13 ILE 99 HD13 ILE 99 59.725 19.628 20.532 791 H ASP 100 H ASP 100 61.264 25.793 21.201 792 HA ASP 100 HA ASP 100 58.576 26.910 21.573 793 HB2 ASP 100 HB2 ASP 100 60.552 28.090 22.531 794 HB3 ASP 100 HB3 ASP 100 61.171 28.319 20.897 795 H CYS 101 H CYS 101 57.234 26.977 19.874 796 HA CYS 101 HA CYS 101 58.357 26.747 17.176 797 HB2 CYS 101 HB2 CYS 101 56.090 26.183 16.480 798 HB3 CYS 101 HB3 CYS 101 56.587 25.179 17.841 799 HG CYS 101 HG CYS 101 54.375 27.316 17.904 800 H ARG 102 H ARG 102 57.483 29.314 19.126 801 HA ARG 102 HA ARG 102 55.869 30.932 17.526 802 HB2 ARG 102 HB2 ARG 102 56.528 31.446 19.867 803 HB3 ARG 102 HB3 ARG 102 58.155 31.815 19.305 804 HG2 ARG 102 HG2 ARG 102 57.070 33.918 19.442 805 HG3 ARG 102 HG3 ARG 102 57.046 33.520 17.726 806 HD2 ARG 102 HD2 ARG 102 54.738 32.629 17.991 807 HD3 ARG 102 HD3 ARG 102 54.772 33.105 19.687 808 HE ARG 102 HE ARG 102 55.380 35.411 18.376 809 HH11 ARG 102 HH11 ARG 102 52.734 33.128 18.040 810 HH12 ARG 102 HH12 ARG 102 51.628 34.340 17.484 811 HH21 ARG 102 HH21 ARG 102 53.910 36.926 17.655 812 HH22 ARG 102 HH22 ARG 102 52.287 36.462 17.269 813 H GLY 103 H GLY 103 59.379 30.438 17.454 814 HA2 GLY 103 HA2 GLY 103 59.612 32.223 15.134 815 HA3 GLY 103 HA3 GLY 103 60.948 31.533 16.049 816 H ALA 104 H ALA 104 59.932 28.814 16.022 817 HA ALA 104 HA ALA 104 61.018 27.948 13.531 818 HB1 ALA 104 HB1 ALA 104 60.916 26.744 15.860 819 HB2 ALA 104 HB2 ALA 104 60.830 25.792 14.377 820 HB3 ALA 104 HB3 ALA 104 59.357 26.162 15.274 821 H SER 105 H SER 105 60.020 27.102 11.737 822 HA SER 105 HA SER 105 57.219 27.840 11.370 823 HB2 SER 105 HB2 SER 105 59.273 26.760 9.424 824 HB3 SER 105 HB3 SER 105 57.642 27.264 8.998 825 HG SER 105 HG SER 105 58.233 29.278 9.330 826 H ALA 106 H ALA 106 55.714 26.316 10.358 827 HA ALA 106 HA ALA 106 55.301 24.007 11.775 828 HB1 ALA 106 HB1 ALA 106 53.878 23.279 9.811 829 HB2 ALA 106 HB2 ALA 106 54.439 24.731 8.981 830 HB3 ALA 106 HB3 ALA 106 53.520 24.870 10.479 831 HA PRO 107 HA PRO 107 57.289 21.222 8.375 832 HB2 PRO 107 HB2 PRO 107 59.352 22.448 6.937 833 HB3 PRO 107 HB3 PRO 107 57.732 22.078 6.320 834 HG2 PRO 107 HG2 PRO 107 58.842 24.636 7.294 835 HG3 PRO 107 HG3 PRO 107 57.636 24.326 6.033 836 HD2 PRO 107 HD2 PRO 107 56.970 25.275 8.468 837 HD3 PRO 107 HD3 PRO 107 55.880 24.232 7.536 838 H ALA 108 H ALA 108 59.206 23.815 9.834 839 HA ALA 108 HA ALA 108 61.536 22.339 10.402 840 HB1 ALA 108 HB1 ALA 108 60.457 24.421 12.284 841 HB2 ALA 108 HB2 ALA 108 61.049 24.880 10.687 842 HB3 ALA 108 HB3 ALA 108 62.130 24.092 11.835 843 H LEU 109 H LEU 109 58.531 22.778 12.241 844 HA LEU 109 HA LEU 109 59.253 21.333 14.536 845 HB2 LEU 109 HB2 LEU 109 56.505 21.499 13.274 846 HB3 LEU 109 HB3 LEU 109 56.865 21.100 14.952 847 HG LEU 109 HG LEU 109 57.523 23.737 13.606 848 HD11 LEU 109 HD11 LEU 109 55.751 24.627 15.111 849 HD12 LEU 109 HD12 LEU 109 55.383 22.978 15.616 850 HD13 LEU 109 HD13 LEU 109 55.115 23.469 13.943 851 HD21 LEU 109 HD21 LEU 109 57.824 22.758 16.462 852 HD22 LEU 109 HD22 LEU 109 57.972 24.447 15.981 853 HD23 LEU 109 HD23 LEU 109 59.118 23.254 15.372 854 H LEU 110 H LEU 110 57.860 20.250 11.460 855 HA LEU 110 HA LEU 110 57.390 17.564 12.110 856 HB2 LEU 110 HB2 LEU 110 56.662 18.658 10.002 857 HB3 LEU 110 HB3 LEU 110 58.337 18.672 9.453 858 HG LEU 110 HG LEU 110 58.362 16.161 9.758 859 HD11 LEU 110 HD11 LEU 110 55.448 16.740 10.295 860 HD12 LEU 110 HD12 LEU 110 56.563 15.760 11.248 861 HD13 LEU 110 HD13 LEU 110 55.978 15.170 9.692 862 HD21 LEU 110 HD21 LEU 110 56.241 17.173 7.841 863 HD22 LEU 110 HD22 LEU 110 57.243 15.734 7.652 864 HD23 LEU 110 HD23 LEU 110 57.975 17.335 7.558 865 H ALA 111 H ALA 111 60.308 19.146 10.868 866 HA ALA 111 HA ALA 111 61.940 16.864 10.679 867 HB1 ALA 111 HB1 ALA 111 63.833 18.549 11.023 868 HB2 ALA 111 HB2 ALA 111 62.573 19.773 11.170 869 HB3 ALA 111 HB3 ALA 111 62.742 18.858 9.672 870 H ALA 112 H ALA 112 61.295 19.045 13.395 871 HA ALA 112 HA ALA 112 63.159 17.995 15.209 872 HB1 ALA 112 HB1 ALA 112 60.427 19.126 15.864 873 HB2 ALA 112 HB2 ALA 112 61.862 20.100 15.543 874 HB3 ALA 112 HB3 ALA 112 61.817 19.031 16.945 875 H LEU 113 H LEU 113 59.852 16.981 14.449 876 HA LEU 113 HA LEU 113 59.478 15.140 16.531 877 HB2 LEU 113 HB2 LEU 113 58.373 15.429 13.760 878 HB3 LEU 113 HB3 LEU 113 58.017 13.965 14.673 879 HG LEU 113 HG LEU 113 57.646 16.646 15.975 880 HD11 LEU 113 HD11 LEU 113 56.386 16.982 13.982 881 HD12 LEU 113 HD12 LEU 113 55.211 16.437 15.179 882 HD13 LEU 113 HD13 LEU 113 55.823 15.311 13.967 883 HD21 LEU 113 HD21 LEU 113 57.324 14.897 17.503 884 HD22 LEU 113 HD22 LEU 113 56.624 13.833 16.283 885 HD23 LEU 113 HD23 LEU 113 55.682 15.179 16.925 886 H THR 114 H THR 114 60.726 14.641 13.246 887 HA THR 114 HA THR 114 61.122 11.851 13.548 888 HB THR 114 HB THR 114 62.452 12.008 11.490 889 HG1 THR 114 HG1 THR 114 63.536 13.846 11.668 890 HG21 THR 114 HG21 THR 114 60.662 12.597 10.126 891 HG22 THR 114 HG22 THR 114 60.214 13.973 11.134 892 HG23 THR 114 HG23 THR 114 59.840 12.333 11.664 893 H SER 115 H SER 115 63.333 14.599 13.987 894 HA SER 115 HA SER 115 65.683 13.112 14.385 895 HB2 SER 115 HB2 SER 115 65.574 15.585 14.026 896 HB3 SER 115 HB3 SER 115 64.969 15.754 15.669 897 HG SER 115 HG SER 115 67.386 14.559 14.943 898 H ALA 116 H ALA 116 63.243 14.236 16.713 899 HA ALA 116 HA ALA 116 64.585 13.407 19.042 900 HB1 ALA 116 HB1 ALA 116 62.676 14.968 19.053 901 HB2 ALA 116 HB2 ALA 116 62.400 13.605 20.137 902 HB3 ALA 116 HB3 ALA 116 61.605 13.655 18.563 903 H ALA 117 H ALA 117 62.212 11.724 16.991 904 HA ALA 117 HA ALA 117 61.951 9.424 18.594 905 HB1 ALA 117 HB1 ALA 117 61.796 9.238 15.611 906 HB2 ALA 117 HB2 ALA 117 60.624 10.238 16.470 907 HB3 ALA 117 HB3 ALA 117 60.751 8.517 16.835 908 H LEU 118 H LEU 118 64.266 10.245 16.040 909 HA LEU 118 HA LEU 118 65.366 7.655 15.751 910 HB2 LEU 118 HB2 LEU 118 66.506 10.388 15.156 911 HB3 LEU 118 HB3 LEU 118 67.307 8.877 14.721 912 HG LEU 118 HG LEU 118 64.470 9.528 13.891 913 HD11 LEU 118 HD11 LEU 118 66.078 11.184 12.951 914 HD12 LEU 118 HD12 LEU 118 65.390 10.142 11.705 915 HD13 LEU 118 HD13 LEU 118 67.028 9.852 12.291 916 HD21 LEU 118 HD21 LEU 118 66.502 7.401 13.231 917 HD22 LEU 118 HD22 LEU 118 65.204 7.787 12.101 918 HD23 LEU 118 HD23 LEU 118 64.818 7.204 13.720 919 H GLU 119 H GLU 119 66.232 10.364 17.876 920 HA GLU 119 HA GLU 119 68.253 8.609 19.161 921 HB2 GLU 119 HB2 GLU 119 69.137 10.676 18.041 922 HB3 GLU 119 HB3 GLU 119 68.194 11.631 19.185 923 HG2 GLU 119 HG2 GLU 119 69.358 10.484 21.059 924 HG3 GLU 119 HG3 GLU 119 70.341 9.614 19.892 925 H HIS 120 H HIS 120 67.957 8.083 21.218 926 HA HIS 120 HA HIS 120 65.551 8.613 22.568 927 HB2 HIS 120 HB2 HIS 120 68.201 7.646 23.636 928 HB3 HIS 120 HB3 HIS 120 66.696 7.619 24.534 929 HD1 HIS 120 HD1 HIS 120 68.547 5.898 21.781 930 HD2 HIS 120 HD2 HIS 120 64.849 5.600 23.684 931 HE1 HIS 120 HE1 HIS 120 67.546 3.689 21.058 932 H HIS 121 H HIS 121 68.758 10.100 22.872 933 HA HIS 121 HA HIS 121 67.616 12.043 24.802 934 HB2 HIS 121 HB2 HIS 121 70.462 11.079 24.511 935 HB3 HIS 121 HB3 HIS 121 69.920 12.314 25.631 936 HD1 HIS 121 HD1 HIS 121 68.079 11.424 27.455 937 HD2 HIS 121 HD2 HIS 121 70.352 8.516 25.519 938 HE1 HIS 121 HE1 HIS 121 67.883 9.319 28.847 939 H HIS 122 H HIS 122 67.861 14.178 24.436 940 HA HIS 122 HA HIS 122 68.869 15.007 21.827 941 HB2 HIS 122 HB2 HIS 122 67.448 16.517 24.014 942 HB3 HIS 122 HB3 HIS 122 67.941 17.220 22.486 943 HD1 HIS 122 HD1 HIS 122 66.790 16.098 20.300 944 HD2 HIS 122 HD2 HIS 122 64.982 15.263 23.962 945 HE1 HIS 122 HE1 HIS 122 64.466 15.246 19.772 946 H HIS 123 H HIS 123 70.037 14.945 25.077 947 HA HIS 123 HA HIS 123 71.550 17.276 25.243 948 HB2 HIS 123 HB2 HIS 123 71.203 15.669 27.090 949 HB3 HIS 123 HB3 HIS 123 72.275 14.537 26.288 950 HD1 HIS 123 HD1 HIS 123 72.434 18.138 27.556 951 HD2 HIS 123 HD2 HIS 123 74.862 14.770 27.196 952 HE1 HIS 123 HE1 HIS 123 74.649 18.738 28.622 953 H HIS 124 H HIS 124 72.323 14.196 23.679 954 HA HIS 124 HA HIS 124 74.863 15.356 22.704 955 HB2 HIS 124 HB2 HIS 124 75.008 13.225 23.956 956 HB3 HIS 124 HB3 HIS 124 73.961 12.475 22.767 957 HD1 HIS 124 HD1 HIS 124 75.007 11.785 20.530 958 HD2 HIS 124 HD2 HIS 124 77.670 13.796 23.031 959 HE1 HIS 124 HE1 HIS 124 77.302 11.516 19.496 960 H HIS 125 H HIS 125 75.176 15.694 20.576 961 HA HIS 125 HA HIS 125 72.973 15.705 18.791 962 HB2 HIS 125 HB2 HIS 125 74.894 17.234 18.597 963 HB3 HIS 125 HB3 HIS 125 75.930 15.878 18.196 964 HD1 HIS 125 HD1 HIS 125 75.836 14.985 15.794 965 HD2 HIS 125 HD2 HIS 125 73.065 18.015 16.521 966 HE1 HIS 125 HE1 HIS 125 74.906 15.659 13.539 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 57.800 7.630 11.136 2 H2 MET 1 HT2 MET 1 59.003 6.598 10.524 3 H3 MET 1 HT3 MET 1 57.471 5.980 10.923 4 HA MET 1 HA MET 1 58.338 7.437 8.557 5 HB2 MET 1 HB2 MET 1 57.661 4.971 8.740 6 HB3 MET 1 HB3 MET 1 56.010 5.550 8.962 7 HG2 MET 1 HG2 MET 1 56.248 6.843 6.817 8 HG3 MET 1 HG3 MET 1 57.805 6.051 6.574 9 HE1 MET 1 HE1 MET 1 56.856 2.699 7.627 10 HE2 MET 1 HE2 MET 1 58.140 3.769 7.068 11 HE3 MET 1 HE3 MET 1 57.407 2.623 5.949 12 H ASP 2 H ASP 2 55.428 7.093 10.588 13 HA ASP 2 HA ASP 2 54.503 9.726 9.597 14 HB2 ASP 2 HB2 ASP 2 52.877 7.237 10.141 15 HB3 ASP 2 HB3 ASP 2 52.177 8.833 9.883 16 HA PRO 3 HA PRO 3 55.314 9.699 14.189 17 HB2 PRO 3 HB2 PRO 3 55.377 12.513 14.316 18 HB3 PRO 3 HB3 PRO 3 56.779 11.435 14.195 19 HG2 PRO 3 HG2 PRO 3 55.391 12.968 12.079 20 HG3 PRO 3 HG3 PRO 3 57.112 12.579 12.260 21 HD2 PRO 3 HD2 PRO 3 55.577 11.286 10.473 22 HD3 PRO 3 HD3 PRO 3 56.871 10.444 11.355 23 H LYS 4 H LYS 4 53.972 10.249 15.944 24 HA LYS 4 HA LYS 4 51.256 11.183 15.205 25 HB2 LYS 4 HB2 LYS 4 52.137 9.312 17.419 26 HB3 LYS 4 HB3 LYS 4 50.479 9.840 17.135 27 HG2 LYS 4 HG2 LYS 4 50.598 8.854 14.846 28 HG3 LYS 4 HG3 LYS 4 52.206 8.240 15.226 29 HD2 LYS 4 HD2 LYS 4 51.228 7.001 17.161 30 HD3 LYS 4 HD3 LYS 4 49.625 7.532 16.649 31 HE2 LYS 4 HE2 LYS 4 49.967 6.430 14.459 32 HE3 LYS 4 HE3 LYS 4 51.551 5.871 14.997 33 HZ1 LYS 4 HZ1 LYS 4 49.210 4.541 15.325 34 HZ2 LYS 4 HZ2 LYS 4 49.450 5.253 16.847 35 HZ3 LYS 4 HZ3 LYS 4 50.641 4.241 16.184 36 H VAL 5 H VAL 5 50.331 12.834 16.398 37 HA VAL 5 HA VAL 5 51.722 13.691 18.857 38 HB VAL 5 HB VAL 5 51.217 16.079 18.221 39 HG11 VAL 5 HG11 VAL 5 53.186 16.042 16.480 40 HG12 VAL 5 HG12 VAL 5 53.252 14.327 16.887 41 HG13 VAL 5 HG13 VAL 5 53.474 15.542 18.147 42 HG21 VAL 5 HG21 VAL 5 51.096 16.496 15.738 43 HG22 VAL 5 HG22 VAL 5 49.642 15.757 16.409 44 HG23 VAL 5 HG23 VAL 5 50.800 14.771 15.517 45 H LEU 6 H LEU 6 50.516 14.483 20.461 46 HA LEU 6 HA LEU 6 47.592 14.156 20.189 47 HB2 LEU 6 HB2 LEU 6 48.811 12.781 21.902 48 HB3 LEU 6 HB3 LEU 6 49.227 14.282 22.730 49 HG LEU 6 HG LEU 6 46.696 14.786 22.691 50 HD11 LEU 6 HD11 LEU 6 46.809 11.922 21.789 51 HD12 LEU 6 HD12 LEU 6 45.758 13.225 21.235 52 HD13 LEU 6 HD13 LEU 6 45.463 12.457 22.795 53 HD21 LEU 6 HD21 LEU 6 47.839 12.504 24.333 54 HD22 LEU 6 HD22 LEU 6 46.338 13.347 24.715 55 HD23 LEU 6 HD23 LEU 6 47.872 14.217 24.750 56 H ILE 7 H ILE 7 46.243 15.833 20.529 57 HA ILE 7 HA ILE 7 47.472 18.468 20.965 58 HB ILE 7 HB ILE 7 44.665 17.824 20.028 59 HG12 ILE 7 HG12 ILE 7 46.982 18.743 18.313 60 HG13 ILE 7 HG13 ILE 7 46.567 17.038 18.490 61 HG21 ILE 7 HG21 ILE 7 44.782 20.051 20.914 62 HG22 ILE 7 HG22 ILE 7 44.865 20.207 19.159 63 HG23 ILE 7 HG23 ILE 7 46.332 20.350 20.128 64 HD11 ILE 7 HD11 ILE 7 44.536 17.270 17.393 65 HD12 ILE 7 HD12 ILE 7 45.519 18.450 16.524 66 HD13 ILE 7 HD13 ILE 7 44.398 18.986 17.772 67 H MET 8 H MET 8 47.186 19.555 22.788 68 HA MET 8 HA MET 8 45.053 18.776 24.649 69 HB2 MET 8 HB2 MET 8 47.441 20.612 24.974 70 HB3 MET 8 HB3 MET 8 46.259 20.267 26.238 71 HG2 MET 8 HG2 MET 8 46.781 17.814 25.942 72 HG3 MET 8 HG3 MET 8 48.102 18.288 24.874 73 HE1 MET 8 HE1 MET 8 46.503 18.196 28.184 74 HE2 MET 8 HE2 MET 8 46.735 19.940 28.312 75 HE3 MET 8 HE3 MET 8 47.640 18.856 29.366 76 H ARG 9 H ARG 9 43.348 20.137 25.113 77 HA ARG 9 HA ARG 9 42.499 21.755 22.994 78 HB2 ARG 9 HB2 ARG 9 41.531 21.687 25.859 79 HB3 ARG 9 HB3 ARG 9 40.689 22.489 24.534 80 HG2 ARG 9 HG2 ARG 9 40.639 20.285 23.322 81 HG3 ARG 9 HG3 ARG 9 41.301 19.531 24.772 82 HD2 ARG 9 HD2 ARG 9 38.681 21.040 24.577 83 HD3 ARG 9 HD3 ARG 9 38.866 19.301 24.763 84 HE ARG 9 HE ARG 9 40.205 20.303 26.911 85 HH11 ARG 9 HH11 ARG 9 36.959 20.846 25.685 86 HH12 ARG 9 HH12 ARG 9 36.316 21.192 27.257 87 HH21 ARG 9 HH21 ARG 9 39.317 20.762 28.908 88 HH22 ARG 9 HH22 ARG 9 37.635 21.144 29.055 89 H GLY 10 H GLY 10 42.312 23.942 22.700 90 HA2 GLY 10 HA2 GLY 10 43.569 25.769 24.613 91 HA3 GLY 10 HA3 GLY 10 44.286 25.659 23.008 92 H GLU 11 H GLU 11 43.478 28.081 23.611 93 HA GLU 11 HA GLU 11 40.774 28.755 23.266 94 HB2 GLU 11 HB2 GLU 11 43.266 30.348 22.634 95 HB3 GLU 11 HB3 GLU 11 41.635 31.017 22.706 96 HG2 GLU 11 HG2 GLU 11 41.443 30.218 25.054 97 HG3 GLU 11 HG3 GLU 11 43.104 29.647 24.976 98 H GLY 12 H GLY 12 43.287 28.071 20.892 99 HA2 GLY 12 HA2 GLY 12 41.958 29.257 18.662 100 HA3 GLY 12 HA3 GLY 12 43.280 28.097 18.584 101 H GLY 13 H GLY 13 41.689 27.595 16.666 102 HA2 GLY 13 HA2 GLY 13 39.392 25.978 17.418 103 HA3 GLY 13 HA3 GLY 13 39.933 26.330 15.780 104 H ARG 14 H ARG 14 39.379 23.823 17.644 105 HA ARG 14 HA ARG 14 41.793 22.374 17.856 106 HB2 ARG 14 HB2 ARG 14 39.063 21.150 17.406 107 HB3 ARG 14 HB3 ARG 14 40.450 20.409 18.194 108 HG2 ARG 14 HG2 ARG 14 38.937 22.825 19.237 109 HG3 ARG 14 HG3 ARG 14 38.764 21.176 19.828 110 HD2 ARG 14 HD2 ARG 14 41.161 21.158 20.449 111 HD3 ARG 14 HD3 ARG 14 41.299 22.831 19.909 112 HE ARG 14 HE ARG 14 40.184 21.929 22.387 113 HH11 ARG 14 HH11 ARG 14 39.900 24.460 19.968 114 HH12 ARG 14 HH12 ARG 14 39.131 25.559 21.062 115 HH21 ARG 14 HH21 ARG 14 39.163 23.390 23.746 116 HH22 ARG 14 HH22 ARG 14 38.723 24.963 23.169 117 H GLU 15 H GLU 15 39.291 22.449 15.348 118 HA GLU 15 HA GLU 15 40.380 20.423 13.715 119 HB2 GLU 15 HB2 GLU 15 38.045 21.300 13.568 120 HB3 GLU 15 HB3 GLU 15 38.688 22.770 12.834 121 HG2 GLU 15 HG2 GLU 15 39.724 21.386 11.043 122 HG3 GLU 15 HG3 GLU 15 38.982 19.957 11.749 123 H PHE 16 H PHE 16 40.899 23.932 13.785 124 HA PHE 16 HA PHE 16 42.199 24.157 11.299 125 HB2 PHE 16 HB2 PHE 16 41.345 26.060 12.638 126 HB3 PHE 16 HB3 PHE 16 42.646 25.807 13.787 127 HD1 PHE 16 HD1 PHE 16 41.816 26.848 10.334 128 HD2 PHE 16 HD2 PHE 16 44.888 26.555 13.323 129 HE1 PHE 16 HE1 PHE 16 43.285 28.308 8.969 130 HE2 PHE 16 HE2 PHE 16 46.356 28.015 11.958 131 HZ PHE 16 HZ PHE 16 45.554 28.891 9.781 132 H LEU 17 H LEU 17 43.645 23.920 14.570 133 HA LEU 17 HA LEU 17 46.313 23.922 13.653 134 HB2 LEU 17 HB2 LEU 17 45.203 22.715 16.199 135 HB3 LEU 17 HB3 LEU 17 46.891 23.124 15.897 136 HG LEU 17 HG LEU 17 44.603 25.114 15.853 137 HD11 LEU 17 HD11 LEU 17 45.467 25.892 17.992 138 HD12 LEU 17 HD12 LEU 17 46.775 24.709 17.932 139 HD13 LEU 17 HD13 LEU 17 45.106 24.170 18.118 140 HD21 LEU 17 HD21 LEU 17 46.564 26.737 15.962 141 HD22 LEU 17 HD22 LEU 17 46.391 25.872 14.434 142 HD23 LEU 17 HD23 LEU 17 47.613 25.366 15.600 143 H ALA 18 H ALA 18 44.126 21.222 14.450 144 HA ALA 18 HA ALA 18 46.047 19.191 14.111 145 HB1 ALA 18 HB1 ALA 18 43.053 18.997 13.690 146 HB2 ALA 18 HB2 ALA 18 43.861 18.866 15.252 147 HB3 ALA 18 HB3 ALA 18 44.154 17.655 14.003 148 H GLU 19 H GLU 19 43.835 20.735 11.817 149 HA GLU 19 HA GLU 19 44.215 18.978 9.662 150 HB2 GLU 19 HB2 GLU 19 42.466 20.767 9.797 151 HB3 GLU 19 HB3 GLU 19 43.731 21.961 9.500 152 HG2 GLU 19 HG2 GLU 19 44.301 20.783 7.381 153 HG3 GLU 19 HG3 GLU 19 42.966 19.675 7.663 154 H ARG 20 H ARG 20 46.017 21.873 10.669 155 HA ARG 20 HA ARG 20 47.708 22.052 8.439 156 HB2 ARG 20 HB2 ARG 20 47.459 23.765 10.253 157 HB3 ARG 20 HB3 ARG 20 48.454 22.739 11.287 158 HG2 ARG 20 HG2 ARG 20 50.275 22.836 9.613 159 HG3 ARG 20 HG3 ARG 20 49.287 23.902 8.613 160 HD2 ARG 20 HD2 ARG 20 49.175 25.508 10.532 161 HD3 ARG 20 HD3 ARG 20 50.295 24.473 11.412 162 HE ARG 20 HE ARG 20 52.016 25.161 9.985 163 HH11 ARG 20 HH11 ARG 20 48.957 26.454 8.847 164 HH12 ARG 20 HH12 ARG 20 49.718 27.556 7.750 165 HH21 ARG 20 HH21 ARG 20 52.939 26.601 8.554 166 HH22 ARG 20 HH22 ARG 20 51.944 27.637 7.587 167 H LEU 21 H LEU 21 48.323 20.398 11.566 168 HA LEU 21 HA LEU 21 50.844 19.364 10.835 169 HB2 LEU 21 HB2 LEU 21 48.803 18.440 12.851 170 HB3 LEU 21 HB3 LEU 21 50.354 17.628 12.637 171 HG LEU 21 HG LEU 21 50.116 20.602 13.154 172 HD11 LEU 21 HD11 LEU 21 50.994 19.770 15.494 173 HD12 LEU 21 HD12 LEU 21 50.202 18.262 15.037 174 HD13 LEU 21 HD13 LEU 21 49.263 19.751 15.153 175 HD21 LEU 21 HD21 LEU 21 52.263 20.221 12.317 176 HD22 LEU 21 HD22 LEU 21 52.338 18.586 12.972 177 HD23 LEU 21 HD23 LEU 21 52.537 19.973 14.041 178 H ARG 22 H ARG 22 47.581 18.089 10.346 179 HA ARG 22 HA ARG 22 48.295 15.531 9.417 180 HB2 ARG 22 HB2 ARG 22 45.984 16.238 10.030 181 HB3 ARG 22 HB3 ARG 22 45.925 17.202 8.554 182 HG2 ARG 22 HG2 ARG 22 46.346 15.159 7.215 183 HG3 ARG 22 HG3 ARG 22 46.344 14.203 8.698 184 HD2 ARG 22 HD2 ARG 22 44.027 15.004 9.163 185 HD3 ARG 22 HD3 ARG 22 44.034 15.833 7.609 186 HE ARG 22 HE ARG 22 43.839 13.767 6.535 187 HH11 ARG 22 HH11 ARG 22 44.382 13.251 9.965 188 HH12 ARG 22 HH12 ARG 22 43.995 11.566 9.875 189 HH21 ARG 22 HH21 ARG 22 43.353 11.592 6.480 190 HH22 ARG 22 HH22 ARG 22 43.421 10.639 7.925 191 H GLY 23 H GLY 23 47.876 18.603 7.696 192 HA2 GLY 23 HA2 GLY 23 48.198 17.649 5.081 193 HA3 GLY 23 HA3 GLY 23 48.569 19.285 5.611 194 H GLN 24 H GLN 24 50.601 18.411 7.547 195 HA GLN 24 HA GLN 24 52.795 18.095 5.670 196 HB2 GLN 24 HB2 GLN 24 52.754 18.560 8.649 197 HB3 GLN 24 HB3 GLN 24 54.226 18.458 7.680 198 HG2 GLN 24 HG2 GLN 24 53.473 20.333 6.294 199 HG3 GLN 24 HG3 GLN 24 51.966 20.420 7.201 200 HE21 GLN 24 HE21 GLN 24 53.813 22.628 7.031 201 HE22 GLN 24 HE22 GLN 24 54.438 22.906 8.584 202 H GLY 25 H GLY 25 50.901 15.766 6.915 203 HA2 GLY 25 HA2 GLY 25 51.350 13.493 6.489 204 HA3 GLY 25 HA3 GLY 25 53.068 13.838 6.564 205 H VAL 26 H VAL 26 51.365 15.182 9.226 206 HA VAL 26 HA VAL 26 52.328 12.986 10.938 207 HB VAL 26 HB VAL 26 51.412 15.769 11.712 208 HG11 VAL 26 HG11 VAL 26 52.502 15.226 13.862 209 HG12 VAL 26 HG12 VAL 26 52.871 13.608 13.266 210 HG13 VAL 26 HG13 VAL 26 51.193 14.096 13.512 211 HG21 VAL 26 HG21 VAL 26 53.459 15.861 10.365 212 HG22 VAL 26 HG22 VAL 26 54.194 14.605 11.362 213 HG23 VAL 26 HG23 VAL 26 53.844 16.189 12.056 214 H GLN 27 H GLN 27 50.957 11.747 12.123 215 HA GLN 27 HA GLN 27 48.120 11.891 11.559 216 HB2 GLN 27 HB2 GLN 27 49.640 10.137 13.504 217 HB3 GLN 27 HB3 GLN 27 47.961 9.918 13.015 218 HG2 GLN 27 HG2 GLN 27 48.748 9.684 10.644 219 HG3 GLN 27 HG3 GLN 27 50.408 9.727 11.237 220 HE21 GLN 27 HE21 GLN 27 51.242 7.824 12.280 221 HE22 GLN 27 HE22 GLN 27 50.355 6.383 12.390 222 H VAL 28 H VAL 28 46.555 12.754 12.872 223 HA VAL 28 HA VAL 28 47.523 14.056 15.362 224 HB VAL 28 HB VAL 28 45.463 15.156 13.438 225 HG11 VAL 28 HG11 VAL 28 46.149 17.255 14.878 226 HG12 VAL 28 HG12 VAL 28 46.661 16.040 16.047 227 HG13 VAL 28 HG13 VAL 28 44.981 16.100 15.515 228 HG21 VAL 28 HG21 VAL 28 48.430 15.597 13.714 229 HG22 VAL 28 HG22 VAL 28 47.393 16.918 13.179 230 HG23 VAL 28 HG23 VAL 28 47.466 15.424 12.246 231 H ASP 29 H ASP 29 46.453 13.629 17.147 232 HA ASP 29 HA ASP 29 43.550 13.156 16.984 233 HB2 ASP 29 HB2 ASP 29 44.716 10.954 17.257 234 HB3 ASP 29 HB3 ASP 29 45.392 11.553 18.773 235 H TYR 30 H TYR 30 42.386 14.089 18.681 236 HA TYR 30 HA TYR 30 43.999 15.721 20.563 237 HB2 TYR 30 HB2 TYR 30 42.169 17.326 20.560 238 HB3 TYR 30 HB3 TYR 30 42.821 17.091 18.952 239 HD1 TYR 30 HD1 TYR 30 39.874 17.082 20.996 240 HD2 TYR 30 HD2 TYR 30 41.554 15.509 17.368 241 HE1 TYR 30 HE1 TYR 30 37.596 16.580 20.160 242 HE2 TYR 30 HE2 TYR 30 39.273 15.008 16.531 243 HH TYR 30 HH TYR 30 37.055 15.440 16.927 244 H LEU 31 H LEU 31 43.522 15.700 22.693 245 HA LEU 31 HA LEU 31 41.481 13.752 23.590 246 HB2 LEU 31 HB2 LEU 31 43.778 12.973 23.934 247 HB3 LEU 31 HB3 LEU 31 44.149 14.440 24.834 248 HG LEU 31 HG LEU 31 42.236 13.766 26.418 249 HD11 LEU 31 HD11 LEU 31 41.966 11.194 26.402 250 HD12 LEU 31 HD12 LEU 31 42.529 11.281 24.731 251 HD13 LEU 31 HD13 LEU 31 41.051 12.117 25.208 252 HD21 LEU 31 HD21 LEU 31 43.730 12.558 27.761 253 HD22 LEU 31 HD22 LEU 31 44.814 13.429 26.676 254 HD23 LEU 31 HD23 LEU 31 44.450 11.730 26.381 255 HA PRO 32 HA PRO 32 39.935 17.662 25.519 256 HB2 PRO 32 HB2 PRO 32 38.197 15.691 26.936 257 HB3 PRO 32 HB3 PRO 32 37.759 17.215 26.137 258 HG2 PRO 32 HG2 PRO 32 37.238 14.861 25.018 259 HG3 PRO 32 HG3 PRO 32 37.710 16.270 24.051 260 HD2 PRO 32 HD2 PRO 32 39.309 13.854 24.747 261 HD3 PRO 32 HD3 PRO 32 39.392 14.889 23.307 262 H LEU 33 H LEU 33 40.651 18.620 27.340 263 HA LEU 33 HA LEU 33 42.469 17.334 29.053 264 HB2 LEU 33 HB2 LEU 33 40.969 19.922 29.504 265 HB3 LEU 33 HB3 LEU 33 42.429 19.414 30.351 266 HG LEU 33 HG LEU 33 42.241 19.797 27.349 267 HD11 LEU 33 HD11 LEU 33 42.231 22.005 27.961 268 HD12 LEU 33 HD12 LEU 33 43.961 21.738 28.176 269 HD13 LEU 33 HD13 LEU 33 42.879 21.684 29.565 270 HD21 LEU 33 HD21 LEU 33 43.962 18.218 27.880 271 HD22 LEU 33 HD22 LEU 33 44.503 19.177 29.260 272 HD23 LEU 33 HD23 LEU 33 44.770 19.761 27.618 273 H ASP 34 H ASP 34 39.073 17.150 29.164 274 HA ASP 34 HA ASP 34 38.794 17.063 32.026 275 HB2 ASP 34 HB2 ASP 34 36.928 16.230 29.803 276 HB3 ASP 34 HB3 ASP 34 36.497 16.272 31.510 277 H TYR 35 H TYR 35 40.071 14.769 29.866 278 HA TYR 35 HA TYR 35 38.910 12.387 30.813 279 HB2 TYR 35 HB2 TYR 35 41.386 13.114 29.344 280 HB3 TYR 35 HB3 TYR 35 41.343 11.525 30.086 281 HD1 TYR 35 HD1 TYR 35 40.401 9.750 28.914 282 HD2 TYR 35 HD2 TYR 35 39.281 13.772 27.904 283 HE1 TYR 35 HE1 TYR 35 39.067 8.898 27.005 284 HE2 TYR 35 HE2 TYR 35 37.947 12.920 25.994 285 HH TYR 35 HH TYR 35 38.177 9.771 24.876 286 HA PRO 36 HA PRO 36 40.764 12.120 34.808 287 HB2 PRO 36 HB2 PRO 36 40.595 9.482 35.375 288 HB3 PRO 36 HB3 PRO 36 39.155 10.513 35.242 289 HG2 PRO 36 HG2 PRO 36 40.285 8.587 33.283 290 HG3 PRO 36 HG3 PRO 36 38.593 8.930 33.685 291 HD2 PRO 36 HD2 PRO 36 39.889 9.951 31.465 292 HD3 PRO 36 HD3 PRO 36 38.464 10.689 32.221 293 H ALA 37 H ALA 37 42.621 11.495 35.997 294 HA ALA 37 HA ALA 37 45.017 11.397 34.600 295 HB1 ALA 37 HB1 ALA 37 44.458 11.872 37.138 296 HB2 ALA 37 HB2 ALA 37 46.057 11.300 36.660 297 HB3 ALA 37 HB3 ALA 37 44.875 10.169 37.321 298 H GLY 38 H GLY 38 46.605 9.752 34.345 299 HA2 GLY 38 HA2 GLY 38 47.323 7.507 34.195 300 HA3 GLY 38 HA3 GLY 38 45.675 6.979 34.514 301 H GLU 39 H GLU 39 44.399 8.669 32.528 302 HA GLU 39 HA GLU 39 44.524 6.900 30.334 303 HB2 GLU 39 HB2 GLU 39 43.395 9.701 30.528 304 HB3 GLU 39 HB3 GLU 39 43.127 8.608 29.170 305 HG2 GLU 39 HG2 GLU 39 42.388 8.032 32.053 306 HG3 GLU 39 HG3 GLU 39 41.262 8.516 30.792 307 H LEU 40 H LEU 40 46.099 10.004 30.951 308 HA LEU 40 HA LEU 40 46.967 10.558 28.334 309 HB2 LEU 40 HB2 LEU 40 47.050 12.160 30.240 310 HB3 LEU 40 HB3 LEU 40 48.371 11.221 30.935 311 HG LEU 40 HG LEU 40 49.593 11.573 28.707 312 HD11 LEU 40 HD11 LEU 40 47.700 12.269 27.350 313 HD12 LEU 40 HD12 LEU 40 48.832 13.616 27.467 314 HD13 LEU 40 HD13 LEU 40 47.363 13.611 28.443 315 HD21 LEU 40 HD21 LEU 40 49.054 14.195 30.074 316 HD22 LEU 40 HD22 LEU 40 50.590 13.518 29.532 317 HD23 LEU 40 HD23 LEU 40 49.808 12.883 30.979 318 H LEU 41 H LEU 41 48.552 8.794 30.989 319 HA LEU 41 HA LEU 41 50.994 8.381 29.617 320 HB2 LEU 41 HB2 LEU 41 50.679 8.193 32.093 321 HB3 LEU 41 HB3 LEU 41 49.822 6.676 31.824 322 HG LEU 41 HG LEU 41 51.930 5.942 30.511 323 HD11 LEU 41 HD11 LEU 41 54.004 7.075 31.238 324 HD12 LEU 41 HD12 LEU 41 53.043 8.261 32.120 325 HD13 LEU 41 HD13 LEU 41 52.949 8.180 30.361 326 HD21 LEU 41 HD21 LEU 41 53.145 5.580 32.817 327 HD22 LEU 41 HD22 LEU 41 51.585 4.810 32.524 328 HD23 LEU 41 HD23 LEU 41 51.673 6.286 33.486 329 H ALA 42 H ALA 42 48.105 6.327 29.971 330 HA ALA 42 HA ALA 42 49.224 4.032 28.780 331 HB1 ALA 42 HB1 ALA 42 47.070 3.134 28.818 332 HB2 ALA 42 HB2 ALA 42 46.307 4.694 28.512 333 HB3 ALA 42 HB3 ALA 42 46.990 4.343 30.099 334 H ARG 43 H ARG 43 47.335 6.697 27.373 335 HA ARG 43 HA ARG 43 47.198 5.635 24.758 336 HB2 ARG 43 HB2 ARG 43 45.815 7.537 25.629 337 HB3 ARG 43 HB3 ARG 43 47.248 8.562 25.526 338 HG2 ARG 43 HG2 ARG 43 47.429 8.042 23.108 339 HG3 ARG 43 HG3 ARG 43 45.959 7.075 23.220 340 HD2 ARG 43 HD2 ARG 43 44.748 9.108 24.041 341 HD3 ARG 43 HD3 ARG 43 46.211 10.046 23.750 342 HE ARG 43 HE ARG 43 45.797 9.923 21.465 343 HH11 ARG 43 HH11 ARG 43 43.621 7.731 23.137 344 HH12 ARG 43 HH12 ARG 43 42.701 7.396 21.709 345 HH21 ARG 43 HH21 ARG 43 44.580 9.444 19.659 346 HH22 ARG 43 HH22 ARG 43 43.237 8.355 19.766 347 H VAL 44 H VAL 44 49.606 7.743 26.314 348 HA VAL 44 HA VAL 44 51.076 8.326 23.988 349 HB VAL 44 HB VAL 44 52.010 8.145 26.864 350 HG11 VAL 44 HG11 VAL 44 53.898 8.098 25.256 351 HG12 VAL 44 HG12 VAL 44 53.851 9.613 26.159 352 HG13 VAL 44 HG13 VAL 44 53.270 9.561 24.495 353 HG21 VAL 44 HG21 VAL 44 51.350 10.355 27.121 354 HG22 VAL 44 HG22 VAL 44 50.091 9.783 26.030 355 HG23 VAL 44 HG23 VAL 44 51.450 10.704 25.396 356 H ARG 45 H ARG 45 51.365 5.664 26.324 357 HA ARG 45 HA ARG 45 53.729 4.571 25.192 358 HB2 ARG 45 HB2 ARG 45 51.596 3.311 26.924 359 HB3 ARG 45 HB3 ARG 45 53.146 2.562 26.538 360 HG2 ARG 45 HG2 ARG 45 54.322 4.492 27.545 361 HG3 ARG 45 HG3 ARG 45 52.766 5.213 27.961 362 HD2 ARG 45 HD2 ARG 45 53.575 4.067 29.922 363 HD3 ARG 45 HD3 ARG 45 52.237 3.126 29.268 364 HE ARG 45 HE ARG 45 54.903 2.352 28.373 365 HH11 ARG 45 HH11 ARG 45 52.285 1.727 30.627 366 HH12 ARG 45 HH12 ARG 45 52.828 0.117 30.966 367 HH21 ARG 45 HH21 ARG 45 55.553 0.272 28.849 368 HH22 ARG 45 HH22 ARG 45 54.654 -0.695 29.972 369 H ALA 46 H ALA 46 50.292 3.665 24.817 370 HA ALA 46 HA ALA 46 50.830 1.391 23.207 371 HB1 ALA 46 HB1 ALA 46 48.736 1.608 24.430 372 HB2 ALA 46 HB2 ALA 46 48.405 1.464 22.704 373 HB3 ALA 46 HB3 ALA 46 48.309 3.038 23.491 374 H GLU 47 H GLU 47 49.835 4.718 22.378 375 HA GLU 47 HA GLU 47 49.923 4.168 19.552 376 HB2 GLU 47 HB2 GLU 47 49.697 6.764 21.078 377 HB3 GLU 47 HB3 GLU 47 49.547 6.611 19.326 378 HG2 GLU 47 HG2 GLU 47 47.686 4.991 19.658 379 HG3 GLU 47 HG3 GLU 47 47.802 5.247 21.393 380 H ARG 48 H ARG 48 52.393 4.821 21.811 381 HA ARG 48 HA ARG 48 54.598 5.422 21.595 382 HB2 ARG 48 HB2 ARG 48 54.423 3.459 20.010 383 HB3 ARG 48 HB3 ARG 48 54.259 4.627 18.698 384 HG2 ARG 48 HG2 ARG 48 56.427 5.609 19.248 385 HG3 ARG 48 HG3 ARG 48 56.584 4.540 20.642 386 HD2 ARG 48 HD2 ARG 48 57.871 3.577 18.847 387 HD3 ARG 48 HD3 ARG 48 56.432 2.585 19.063 388 HE ARG 48 HE ARG 48 56.166 4.689 17.084 389 HH11 ARG 48 HH11 ARG 48 57.048 1.333 17.616 390 HH12 ARG 48 HH12 ARG 48 56.780 0.896 15.962 391 HH21 ARG 48 HH21 ARG 48 55.836 4.067 14.967 392 HH22 ARG 48 HH22 ARG 48 56.103 2.425 14.482 393 H LEU 49 H LEU 49 53.249 7.612 21.737 394 HA LEU 49 HA LEU 49 53.110 9.249 19.417 395 HB2 LEU 49 HB2 LEU 49 53.127 10.028 22.341 396 HB3 LEU 49 HB3 LEU 49 52.716 11.106 21.008 397 HG LEU 49 HG LEU 49 51.264 8.514 21.612 398 HD11 LEU 49 HD11 LEU 49 49.519 9.869 22.579 399 HD12 LEU 49 HD12 LEU 49 50.338 11.358 22.101 400 HD13 LEU 49 HD13 LEU 49 51.029 10.337 23.361 401 HD21 LEU 49 HD21 LEU 49 50.981 10.716 19.581 402 HD22 LEU 49 HD22 LEU 49 49.547 9.837 20.114 403 HD23 LEU 49 HD23 LEU 49 50.878 8.972 19.346 404 H ASN 50 H ASN 50 54.340 10.978 18.770 405 HA ASN 50 HA ASN 50 57.175 10.834 19.490 406 HB2 ASN 50 HB2 ASN 50 55.695 12.180 17.227 407 HB3 ASN 50 HB3 ASN 50 57.424 12.366 17.507 408 HD21 ASN 50 HD21 ASN 50 58.792 10.722 16.752 409 HD22 ASN 50 HD22 ASN 50 58.233 9.292 16.034 410 H GLY 51 H GLY 51 54.445 13.110 19.384 411 HA2 GLY 51 HA2 GLY 51 55.964 14.927 21.125 412 HA3 GLY 51 HA3 GLY 51 55.463 15.556 19.566 413 H LEU 52 H LEU 52 54.773 16.661 21.998 414 HA LEU 52 HA LEU 52 51.832 16.310 22.004 415 HB2 LEU 52 HB2 LEU 52 53.563 17.044 24.381 416 HB3 LEU 52 HB3 LEU 52 51.812 16.851 24.385 417 HG LEU 52 HG LEU 52 53.785 14.652 23.695 418 HD11 LEU 52 HD11 LEU 52 53.241 13.723 25.882 419 HD12 LEU 52 HD12 LEU 52 52.114 15.041 26.197 420 HD13 LEU 52 HD13 LEU 52 53.844 15.367 26.094 421 HD21 LEU 52 HD21 LEU 52 50.777 14.722 24.074 422 HD22 LEU 52 HD22 LEU 52 51.715 13.232 23.999 423 HD23 LEU 52 HD23 LEU 52 51.652 14.305 22.600 424 H VAL 53 H VAL 53 50.628 18.216 21.950 425 HA VAL 53 HA VAL 53 52.192 20.734 21.743 426 HB VAL 53 HB VAL 53 49.652 20.001 20.260 427 HG11 VAL 53 HG11 VAL 53 51.512 22.379 19.968 428 HG12 VAL 53 HG12 VAL 53 49.929 22.425 20.744 429 HG13 VAL 53 HG13 VAL 53 50.057 22.074 19.020 430 HG21 VAL 53 HG21 VAL 53 52.350 20.454 19.007 431 HG22 VAL 53 HG22 VAL 53 50.947 19.630 18.336 432 HG23 VAL 53 HG23 VAL 53 51.907 18.851 19.589 433 H VAL 54 H VAL 54 51.648 22.312 23.131 434 HA VAL 54 HA VAL 54 48.898 22.320 24.244 435 HB VAL 54 HB VAL 54 49.881 23.568 26.203 436 HG11 VAL 54 HG11 VAL 54 50.949 21.340 27.113 437 HG12 VAL 54 HG12 VAL 54 50.347 20.677 25.591 438 HG13 VAL 54 HG13 VAL 54 49.230 21.427 26.733 439 HG21 VAL 54 HG21 VAL 54 52.505 22.309 25.423 440 HG22 VAL 54 HG22 VAL 54 52.190 23.556 26.629 441 HG23 VAL 54 HG23 VAL 54 52.104 23.950 24.912 442 H SER 55 H SER 55 47.849 24.250 24.391 443 HA SER 55 HA SER 55 48.953 26.403 22.734 444 HB2 SER 55 HB2 SER 55 46.646 25.393 22.335 445 HB3 SER 55 HB3 SER 55 46.147 26.215 23.809 446 HG SER 55 HG SER 55 46.513 28.097 22.821 447 H SER 56 H SER 56 48.371 25.707 26.088 448 HA SER 56 HA SER 56 49.066 28.429 26.813 449 HB2 SER 56 HB2 SER 56 47.058 28.946 28.029 450 HB3 SER 56 HB3 SER 56 46.597 28.507 26.387 451 HG SER 56 HG SER 56 46.357 27.047 28.727 452 H GLY 57 H GLY 57 49.246 28.721 29.165 453 HA2 GLY 57 HA2 GLY 57 50.711 26.709 30.424 454 HA3 GLY 57 HA3 GLY 57 49.956 28.065 31.255 455 H GLN 58 H GLN 58 47.233 27.407 30.547 456 HA GLN 58 HA GLN 58 46.554 25.777 32.725 457 HB2 GLN 58 HB2 GLN 58 44.959 26.463 30.245 458 HB3 GLN 58 HB3 GLN 58 44.286 25.707 31.691 459 HG2 GLN 58 HG2 GLN 58 44.948 27.629 33.047 460 HG3 GLN 58 HG3 GLN 58 45.718 28.378 31.651 461 HE21 GLN 58 HE21 GLN 58 43.607 29.685 33.080 462 HE22 GLN 58 HE22 GLN 58 42.255 29.783 32.059 463 H GLY 59 H GLY 59 46.724 24.989 29.246 464 HA2 GLY 59 HA2 GLY 59 45.921 22.306 29.438 465 HA3 GLY 59 HA3 GLY 59 46.942 22.971 28.165 466 H LEU 60 H LEU 60 49.153 23.784 29.609 467 HA LEU 60 HA LEU 60 50.677 21.446 29.701 468 HB2 LEU 60 HB2 LEU 60 51.575 23.752 29.438 469 HB3 LEU 60 HB3 LEU 60 51.238 24.047 31.145 470 HG LEU 60 HG LEU 60 52.679 22.024 31.673 471 HD11 LEU 60 HD11 LEU 60 52.842 20.795 29.697 472 HD12 LEU 60 HD12 LEU 60 54.381 21.654 29.702 473 HD13 LEU 60 HD13 LEU 60 53.051 22.234 28.699 474 HD21 LEU 60 HD21 LEU 60 54.310 24.051 30.167 475 HD22 LEU 60 HD22 LEU 60 54.613 23.330 31.748 476 HD23 LEU 60 HD23 LEU 60 53.369 24.566 31.567 477 H GLN 61 H GLN 61 49.176 23.278 32.339 478 HA GLN 61 HA GLN 61 50.218 21.751 34.470 479 HB2 GLN 61 HB2 GLN 61 47.641 23.325 34.281 480 HB3 GLN 61 HB3 GLN 61 48.306 22.672 35.778 481 HG2 GLN 61 HG2 GLN 61 49.700 24.652 33.950 482 HG3 GLN 61 HG3 GLN 61 48.926 25.046 35.484 483 HE21 GLN 61 HE21 GLN 61 51.931 24.721 34.305 484 HE22 GLN 61 HE22 GLN 61 52.720 24.019 35.633 485 H ASN 62 H ASN 62 47.204 21.427 32.614 486 HA ASN 62 HA ASN 62 46.107 19.268 34.025 487 HB2 ASN 62 HB2 ASN 62 45.902 19.900 31.073 488 HB3 ASN 62 HB3 ASN 62 44.847 18.797 31.956 489 HD21 ASN 62 HD21 ASN 62 44.540 21.669 30.654 490 HD22 ASN 62 HD22 ASN 62 43.675 22.510 31.845 491 H LEU 63 H LEU 63 48.445 19.335 31.370 492 HA LEU 63 HA LEU 63 48.580 16.594 30.818 493 HB2 LEU 63 HB2 LEU 63 49.692 18.439 29.511 494 HB3 LEU 63 HB3 LEU 63 50.906 18.529 30.784 495 HG LEU 63 HG LEU 63 51.167 15.966 30.398 496 HD11 LEU 63 HD11 LEU 63 50.084 16.774 27.689 497 HD12 LEU 63 HD12 LEU 63 49.110 15.932 28.894 498 HD13 LEU 63 HD13 LEU 63 50.547 15.159 28.225 499 HD21 LEU 63 HD21 LEU 63 52.076 17.974 28.311 500 HD22 LEU 63 HD22 LEU 63 52.816 16.400 28.607 501 HD23 LEU 63 HD23 LEU 63 52.883 17.653 29.846 502 H TYR 64 H TYR 64 50.346 18.563 33.171 503 HA TYR 64 HA TYR 64 52.078 16.567 34.129 504 HB2 TYR 64 HB2 TYR 64 52.217 19.040 34.552 505 HB3 TYR 64 HB3 TYR 64 50.906 18.861 35.701 506 HD1 TYR 64 HD1 TYR 64 51.269 17.810 37.871 507 HD2 TYR 64 HD2 TYR 64 54.452 18.153 35.002 508 HE1 TYR 64 HE1 TYR 64 52.924 17.260 39.635 509 HE2 TYR 64 HE2 TYR 64 56.095 17.608 36.758 510 HH TYR 64 HH TYR 64 55.929 17.858 39.559 511 H GLN 65 H GLN 65 48.887 17.612 35.294 512 HA GLN 65 HA GLN 65 48.791 15.937 37.557 513 HB2 GLN 65 HB2 GLN 65 46.505 17.003 35.884 514 HB3 GLN 65 HB3 GLN 65 46.359 16.333 37.507 515 HG2 GLN 65 HG2 GLN 65 47.972 18.784 36.739 516 HG3 GLN 65 HG3 GLN 65 46.428 18.791 37.584 517 HE21 GLN 65 HE21 GLN 65 49.533 19.341 38.274 518 HE22 GLN 65 HE22 GLN 65 49.649 18.659 39.823 519 H LEU 66 H LEU 66 47.642 15.426 34.238 520 HA LEU 66 HA LEU 66 46.486 12.887 34.715 521 HB2 LEU 66 HB2 LEU 66 47.570 14.074 32.149 522 HB3 LEU 66 HB3 LEU 66 46.580 12.619 32.249 523 HG LEU 66 HG LEU 66 45.713 15.341 33.266 524 HD11 LEU 66 HD11 LEU 66 45.351 13.929 30.636 525 HD12 LEU 66 HD12 LEU 66 45.706 15.628 30.943 526 HD13 LEU 66 HD13 LEU 66 44.083 15.002 31.231 527 HD21 LEU 66 HD21 LEU 66 44.510 13.667 34.445 528 HD22 LEU 66 HD22 LEU 66 44.392 12.633 33.021 529 HD23 LEU 66 HD23 LEU 66 43.443 14.118 33.115 530 H ALA 67 H ALA 67 49.754 13.866 33.810 531 HA ALA 67 HA ALA 67 50.823 11.357 33.179 532 HB1 ALA 67 HB1 ALA 67 52.069 13.394 32.765 533 HB2 ALA 67 HB2 ALA 67 52.999 12.378 33.866 534 HB3 ALA 67 HB3 ALA 67 52.107 13.765 34.488 535 H ALA 68 H ALA 68 50.463 12.996 36.311 536 HA ALA 68 HA ALA 68 50.402 12.154 38.444 537 HB1 ALA 68 HB1 ALA 68 48.828 10.550 36.947 538 HB2 ALA 68 HB2 ALA 68 49.090 10.287 38.672 539 HB3 ALA 68 HB3 ALA 68 50.015 9.362 37.489 540 H ALA 69 H ALA 69 51.385 9.153 38.858 541 HA ALA 69 HA ALA 69 53.921 9.902 39.801 542 HB1 ALA 69 HB1 ALA 69 54.148 7.687 40.496 543 HB2 ALA 69 HB2 ALA 69 53.201 7.063 39.145 544 HB3 ALA 69 HB3 ALA 69 52.400 7.916 40.465 545 H ASP 70 H ASP 70 52.966 9.033 36.584 546 HA ASP 70 HA ASP 70 55.618 7.987 35.905 547 HB2 ASP 70 HB2 ASP 70 53.103 8.257 34.256 548 HB3 ASP 70 HB3 ASP 70 54.598 7.493 33.717 549 H TRP 71 H TRP 71 54.655 11.053 36.291 550 HA TRP 71 HA TRP 71 55.090 12.440 33.973 551 HB2 TRP 71 HB2 TRP 71 54.439 13.596 35.924 552 HB3 TRP 71 HB3 TRP 71 55.861 13.090 36.802 553 HD1 TRP 71 HD1 TRP 71 57.608 14.878 37.047 554 HE1 TRP 71 HE1 TRP 71 58.252 17.028 35.783 555 HE3 TRP 71 HE3 TRP 71 54.349 14.624 33.115 556 HZ2 TRP 71 HZ2 TRP 71 57.522 18.438 33.415 557 HZ3 TRP 71 HZ3 TRP 71 54.357 16.379 31.370 558 HH2 TRP 71 HH2 TRP 71 55.939 18.285 31.511 559 HA PRO 72 HA PRO 72 60.004 12.243 34.808 560 HB2 PRO 72 HB2 PRO 72 59.847 9.314 35.433 561 HB3 PRO 72 HB3 PRO 72 61.060 10.510 35.934 562 HG2 PRO 72 HG2 PRO 72 59.157 9.689 37.597 563 HG3 PRO 72 HG3 PRO 72 59.737 11.365 37.597 564 HD2 PRO 72 HD2 PRO 72 57.143 10.291 36.659 565 HD3 PRO 72 HD3 PRO 72 57.559 11.931 37.200 566 H GLU 73 H GLU 73 57.996 9.524 33.604 567 HA GLU 73 HA GLU 73 59.813 8.986 31.420 568 HB2 GLU 73 HB2 GLU 73 57.012 7.994 31.995 569 HB3 GLU 73 HB3 GLU 73 58.038 7.408 30.685 570 HG2 GLU 73 HG2 GLU 73 59.763 6.768 32.361 571 HG3 GLU 73 HG3 GLU 73 58.675 7.277 33.645 572 H ILE 74 H ILE 74 56.572 10.410 31.754 573 HA ILE 74 HA ILE 74 56.100 10.845 29.019 574 HB ILE 74 HB ILE 74 55.036 12.334 31.435 575 HG12 ILE 74 HG12 ILE 74 53.803 10.093 29.812 576 HG13 ILE 74 HG13 ILE 74 54.705 9.822 31.299 577 HG21 ILE 74 HG21 ILE 74 53.217 13.060 30.012 578 HG22 ILE 74 HG22 ILE 74 53.846 12.131 28.652 579 HG23 ILE 74 HG23 ILE 74 54.725 13.542 29.238 580 HD11 ILE 74 HD11 ILE 74 52.041 10.157 31.280 581 HD12 ILE 74 HD12 ILE 74 52.518 11.848 31.416 582 HD13 ILE 74 HD13 ILE 74 53.047 10.683 32.627 583 H GLY 75 H GLY 75 57.728 12.839 31.423 584 HA2 GLY 75 HA2 GLY 75 57.800 15.269 30.022 585 HA3 GLY 75 HA3 GLY 75 58.914 14.792 31.292 586 H ARG 76 H ARG 76 59.527 12.361 29.392 587 HA ARG 76 HA ARG 76 61.924 13.415 28.314 588 HB2 ARG 76 HB2 ARG 76 60.458 10.832 27.738 589 HB3 ARG 76 HB3 ARG 76 62.115 11.189 27.240 590 HG2 ARG 76 HG2 ARG 76 62.767 11.510 29.584 591 HG3 ARG 76 HG3 ARG 76 61.116 11.185 30.104 592 HD2 ARG 76 HD2 ARG 76 62.380 9.162 30.388 593 HD3 ARG 76 HD3 ARG 76 61.307 8.925 29.010 594 HE ARG 76 HE ARG 76 63.181 8.687 27.691 595 HH11 ARG 76 HH11 ARG 76 64.139 10.434 30.581 596 HH12 ARG 76 HH12 ARG 76 65.814 10.443 30.142 597 HH21 ARG 76 HH21 ARG 76 65.351 8.730 27.178 598 HH22 ARG 76 HH22 ARG 76 66.491 9.490 28.238 599 H LEU 77 H LEU 77 58.691 13.113 26.992 600 HA LEU 77 HA LEU 77 59.513 13.032 24.259 601 HB2 LEU 77 HB2 LEU 77 56.828 13.587 25.533 602 HB3 LEU 77 HB3 LEU 77 57.083 13.398 23.797 603 HG LEU 77 HG LEU 77 58.006 11.298 25.756 604 HD11 LEU 77 HD11 LEU 77 55.314 11.477 24.366 605 HD12 LEU 77 HD12 LEU 77 55.585 11.639 26.101 606 HD13 LEU 77 HD13 LEU 77 55.895 10.099 25.300 607 HD21 LEU 77 HD21 LEU 77 57.445 11.438 22.788 608 HD22 LEU 77 HD22 LEU 77 57.597 9.900 23.636 609 HD23 LEU 77 HD23 LEU 77 58.958 11.021 23.591 610 HA PRO 78 HA PRO 78 59.995 17.419 23.498 611 HB2 PRO 78 HB2 PRO 78 58.968 17.626 20.932 612 HB3 PRO 78 HB3 PRO 78 60.605 17.059 21.317 613 HG2 PRO 78 HG2 PRO 78 58.159 15.488 20.689 614 HG3 PRO 78 HG3 PRO 78 59.838 15.222 20.181 615 HD2 PRO 78 HD2 PRO 78 58.738 13.769 22.172 616 HD3 PRO 78 HD3 PRO 78 60.450 14.244 22.201 617 H LEU 79 H LEU 79 58.747 18.980 24.356 618 HA LEU 79 HA LEU 79 55.837 18.953 23.830 619 HB2 LEU 79 HB2 LEU 79 56.618 18.997 26.204 620 HB3 LEU 79 HB3 LEU 79 57.382 20.553 25.882 621 HG LEU 79 HG LEU 79 55.089 21.356 25.081 622 HD11 LEU 79 HD11 LEU 79 53.931 19.295 24.751 623 HD12 LEU 79 HD12 LEU 79 53.200 20.024 26.181 624 HD13 LEU 79 HD13 LEU 79 54.366 18.712 26.358 625 HD21 LEU 79 HD21 LEU 79 56.244 21.643 27.429 626 HD22 LEU 79 HD22 LEU 79 54.980 20.541 27.972 627 HD23 LEU 79 HD23 LEU 79 54.548 22.083 27.234 628 H PHE 80 H PHE 80 55.044 20.356 22.392 629 HA PHE 80 HA PHE 80 56.658 22.598 21.430 630 HB2 PHE 80 HB2 PHE 80 53.892 21.642 20.669 631 HB3 PHE 80 HB3 PHE 80 54.730 22.970 19.907 632 HD1 PHE 80 HD1 PHE 80 54.000 19.517 19.781 633 HD2 PHE 80 HD2 PHE 80 57.072 22.365 18.826 634 HE1 PHE 80 HE1 PHE 80 54.941 17.941 18.118 635 HE2 PHE 80 HE2 PHE 80 58.017 20.783 17.163 636 HZ PHE 80 HZ PHE 80 56.938 18.577 16.799 637 H VAL 81 H VAL 81 56.453 24.600 22.308 638 HA VAL 81 HA VAL 81 53.921 25.275 23.690 639 HB VAL 81 HB VAL 81 55.200 26.824 25.074 640 HG11 VAL 81 HG11 VAL 81 54.991 24.252 25.498 641 HG12 VAL 81 HG12 VAL 81 56.098 25.197 26.493 642 HG13 VAL 81 HG13 VAL 81 56.720 24.233 25.155 643 HG21 VAL 81 HG21 VAL 81 57.037 27.613 23.920 644 HG22 VAL 81 HG22 VAL 81 57.395 26.048 23.196 645 HG23 VAL 81 HG23 VAL 81 57.832 26.362 24.874 646 HA PRO 82 HA PRO 82 53.525 28.332 20.534 647 HB2 PRO 82 HB2 PRO 82 51.658 29.989 21.561 648 HB3 PRO 82 HB3 PRO 82 51.281 28.324 21.076 649 HG2 PRO 82 HG2 PRO 82 51.696 29.455 23.784 650 HG3 PRO 82 HG3 PRO 82 50.585 28.185 23.243 651 HD2 PRO 82 HD2 PRO 82 53.023 27.734 24.518 652 HD3 PRO 82 HD3 PRO 82 52.128 26.534 23.563 653 H SER 83 H SER 83 54.580 29.351 23.700 654 HA SER 83 HA SER 83 55.691 31.815 22.559 655 HB2 SER 83 HB2 SER 83 54.659 33.272 24.112 656 HB3 SER 83 HB3 SER 83 53.359 32.242 23.524 657 HG SER 83 HG SER 83 54.671 32.200 25.957 658 HA PRO 84 HA PRO 84 59.127 31.081 25.277 659 HB2 PRO 84 HB2 PRO 84 58.887 33.856 26.335 660 HB3 PRO 84 HB3 PRO 84 60.279 33.045 25.591 661 HG2 PRO 84 HG2 PRO 84 58.883 34.893 24.284 662 HG3 PRO 84 HG3 PRO 84 59.571 33.483 23.458 663 HD2 PRO 84 HD2 PRO 84 56.727 34.016 24.208 664 HD3 PRO 84 HD3 PRO 84 57.382 33.150 22.800 665 H ARG 85 H ARG 85 56.506 33.003 26.766 666 HA ARG 85 HA ARG 85 57.095 32.447 29.447 667 HB2 ARG 85 HB2 ARG 85 55.457 34.150 28.664 668 HB3 ARG 85 HB3 ARG 85 54.349 32.845 28.239 669 HG2 ARG 85 HG2 ARG 85 54.421 32.062 30.607 670 HG3 ARG 85 HG3 ARG 85 55.427 33.456 31.006 671 HD2 ARG 85 HD2 ARG 85 52.637 33.588 29.830 672 HD3 ARG 85 HD3 ARG 85 53.049 33.892 31.515 673 HE ARG 85 HE ARG 85 53.399 35.699 29.307 674 HH11 ARG 85 HH11 ARG 85 54.691 34.839 32.456 675 HH12 ARG 85 HH12 ARG 85 55.366 36.413 32.719 676 HH21 ARG 85 HH21 ARG 85 54.289 37.705 29.702 677 HH22 ARG 85 HH22 ARG 85 55.140 38.014 31.179 678 H VAL 86 H VAL 86 54.900 30.721 27.213 679 HA VAL 86 HA VAL 86 54.092 28.722 29.013 680 HB VAL 86 HB VAL 86 54.426 28.535 26.007 681 HG11 VAL 86 HG11 VAL 86 52.497 26.855 26.351 682 HG12 VAL 86 HG12 VAL 86 52.981 26.836 28.047 683 HG13 VAL 86 HG13 VAL 86 54.115 26.317 26.801 684 HG21 VAL 86 HG21 VAL 86 51.953 29.188 27.630 685 HG22 VAL 86 HG22 VAL 86 52.131 29.257 25.877 686 HG23 VAL 86 HG23 VAL 86 52.983 30.417 26.897 687 H ALA 87 H ALA 87 56.892 28.907 26.843 688 HA ALA 87 HA ALA 87 57.889 26.317 27.189 689 HB1 ALA 87 HB1 ALA 87 58.674 28.347 25.684 690 HB2 ALA 87 HB2 ALA 87 59.813 27.089 26.167 691 HB3 ALA 87 HB3 ALA 87 59.780 28.628 27.028 692 H GLU 88 H GLU 88 58.377 29.245 29.126 693 HA GLU 88 HA GLU 88 60.276 28.205 30.921 694 HB2 GLU 88 HB2 GLU 88 58.166 30.332 31.349 695 HB3 GLU 88 HB3 GLU 88 59.504 30.011 32.454 696 HG2 GLU 88 HG2 GLU 88 59.795 30.787 29.539 697 HG3 GLU 88 HG3 GLU 88 60.018 31.875 30.902 698 H MET 89 H MET 89 56.729 28.162 30.997 699 HA MET 89 HA MET 89 56.372 27.036 33.542 700 HB2 MET 89 HB2 MET 89 54.753 26.622 31.012 701 HB3 MET 89 HB3 MET 89 54.208 26.203 32.633 702 HG2 MET 89 HG2 MET 89 54.973 28.990 31.708 703 HG3 MET 89 HG3 MET 89 53.324 28.402 31.908 704 HE1 MET 89 HE1 MET 89 52.723 27.931 35.521 705 HE2 MET 89 HE2 MET 89 53.627 26.615 34.775 706 HE3 MET 89 HE3 MET 89 52.390 27.462 33.849 707 H ALA 90 H ALA 90 56.842 25.492 30.390 708 HA ALA 90 HA ALA 90 56.585 22.821 31.244 709 HB1 ALA 90 HB1 ALA 90 56.550 23.503 28.873 710 HB2 ALA 90 HB2 ALA 90 57.741 22.236 29.164 711 HB3 ALA 90 HB3 ALA 90 58.263 23.910 28.970 712 H ARG 91 H ARG 91 59.423 24.935 31.025 713 HA ARG 91 HA ARG 91 61.365 23.009 31.677 714 HB2 ARG 91 HB2 ARG 91 61.855 25.275 30.761 715 HB3 ARG 91 HB3 ARG 91 61.422 25.967 32.324 716 HG2 ARG 91 HG2 ARG 91 63.186 24.589 33.401 717 HG3 ARG 91 HG3 ARG 91 63.649 23.972 31.815 718 HD2 ARG 91 HD2 ARG 91 64.084 26.318 31.076 719 HD3 ARG 91 HD3 ARG 91 63.739 26.864 32.714 720 HE ARG 91 HE ARG 91 65.655 25.057 33.177 721 HH11 ARG 91 HH11 ARG 91 65.531 27.593 30.752 722 HH12 ARG 91 HH12 ARG 91 67.253 27.775 30.711 723 HH21 ARG 91 HH21 ARG 91 67.865 25.338 33.081 724 HH22 ARG 91 HH22 ARG 91 68.557 26.514 32.014 725 H GLU 92 H GLU 92 59.462 25.187 33.745 726 HA GLU 92 HA GLU 92 60.767 24.625 36.165 727 HB2 GLU 92 HB2 GLU 92 59.160 26.492 35.801 728 HB3 GLU 92 HB3 GLU 92 57.846 25.316 35.790 729 HG2 GLU 92 HG2 GLU 92 57.977 26.200 38.021 730 HG3 GLU 92 HG3 GLU 92 58.620 24.562 38.073 731 H LEU 93 H LEU 93 58.093 22.959 34.542 732 HA LEU 93 HA LEU 93 57.533 21.147 36.648 733 HB2 LEU 93 HB2 LEU 93 57.135 20.737 33.680 734 HB3 LEU 93 HB3 LEU 93 56.395 19.786 34.962 735 HG LEU 93 HG LEU 93 55.961 22.750 34.470 736 HD11 LEU 93 HD11 LEU 93 53.600 21.886 34.039 737 HD12 LEU 93 HD12 LEU 93 54.295 20.264 34.019 738 HD13 LEU 93 HD13 LEU 93 54.798 21.454 32.818 739 HD21 LEU 93 HD21 LEU 93 55.756 22.368 36.837 740 HD22 LEU 93 HD22 LEU 93 54.906 20.844 36.581 741 HD23 LEU 93 HD23 LEU 93 54.114 22.373 36.196 742 H GLY 94 H GLY 94 60.162 21.211 34.377 743 HA2 GLY 94 HA2 GLY 94 62.058 19.770 34.766 744 HA3 GLY 94 HA3 GLY 94 60.950 18.504 35.265 745 H ALA 95 H ALA 95 59.931 20.216 32.415 746 HA ALA 95 HA ALA 95 59.896 17.885 30.850 747 HB1 ALA 95 HB1 ALA 95 59.701 20.817 30.219 748 HB2 ALA 95 HB2 ALA 95 58.458 19.571 30.103 749 HB3 ALA 95 HB3 ALA 95 59.761 19.629 28.917 750 H GLN 96 H GLN 96 61.443 16.835 29.799 751 HA GLN 96 HA GLN 96 64.158 17.635 30.212 752 HB2 GLN 96 HB2 GLN 96 62.985 15.329 28.642 753 HB3 GLN 96 HB3 GLN 96 64.693 15.520 29.050 754 HG2 GLN 96 HG2 GLN 96 64.098 15.571 31.458 755 HG3 GLN 96 HG3 GLN 96 62.408 15.315 31.032 756 HE21 GLN 96 HE21 GLN 96 62.481 13.256 32.264 757 HE22 GLN 96 HE22 GLN 96 63.213 11.886 31.588 758 H ARG 97 H ARG 97 61.974 17.597 27.433 759 HA ARG 97 HA ARG 97 63.968 19.215 25.961 760 HB2 ARG 97 HB2 ARG 97 63.879 16.898 25.052 761 HB3 ARG 97 HB3 ARG 97 62.157 17.118 24.738 762 HG2 ARG 97 HG2 ARG 97 62.699 19.076 23.298 763 HG3 ARG 97 HG3 ARG 97 64.416 18.755 23.550 764 HD2 ARG 97 HD2 ARG 97 62.436 16.819 22.318 765 HD3 ARG 97 HD3 ARG 97 63.617 17.773 21.425 766 HE ARG 97 HE ARG 97 64.131 15.397 23.007 767 HH11 ARG 97 HH11 ARG 97 65.575 18.247 21.550 768 HH12 ARG 97 HH12 ARG 97 67.165 17.560 21.545 769 HH21 ARG 97 HH21 ARG 97 66.200 14.569 22.975 770 HH22 ARG 97 HH22 ARG 97 67.513 15.504 22.342 771 H VAL 98 H VAL 98 63.148 21.191 25.832 772 HA VAL 98 HA VAL 98 60.237 21.513 25.376 773 HB VAL 98 HB VAL 98 62.206 23.493 26.553 774 HG11 VAL 98 HG11 VAL 98 59.180 23.563 26.346 775 HG12 VAL 98 HG12 VAL 98 60.282 24.506 25.344 776 HG13 VAL 98 HG13 VAL 98 60.200 24.799 27.081 777 HG21 VAL 98 HG21 VAL 98 60.910 23.053 28.663 778 HG22 VAL 98 HG22 VAL 98 61.833 21.657 28.111 779 HG23 VAL 98 HG23 VAL 98 60.093 21.729 27.835 780 H ILE 99 H ILE 99 59.581 22.423 23.541 781 HA ILE 99 HA ILE 99 61.620 23.545 21.714 782 HB ILE 99 HB ILE 99 59.155 21.898 21.083 783 HG12 ILE 99 HG12 ILE 99 62.076 21.224 20.645 784 HG13 ILE 99 HG13 ILE 99 61.177 20.715 22.073 785 HG21 ILE 99 HG21 ILE 99 61.046 23.474 19.384 786 HG22 ILE 99 HG22 ILE 99 59.315 23.199 19.188 787 HG23 ILE 99 HG23 ILE 99 60.462 21.933 18.755 788 HD11 ILE 99 HD11 ILE 99 61.115 18.907 20.459 789 HD12 ILE 99 HD12 ILE 99 60.562 20.002 19.192 790 HD13 ILE 99 HD13 ILE 99 59.504 19.620 20.551 791 H ASP 100 H ASP 100 61.310 25.635 21.269 792 HA ASP 100 HA ASP 100 58.672 26.842 21.707 793 HB2 ASP 100 HB2 ASP 100 60.710 27.940 22.631 794 HB3 ASP 100 HB3 ASP 100 61.299 28.163 20.985 795 H CYS 101 H CYS 101 57.293 27.016 20.053 796 HA CYS 101 HA CYS 101 58.326 26.765 17.321 797 HB2 CYS 101 HB2 CYS 101 56.018 26.342 16.677 798 HB3 CYS 101 HB3 CYS 101 56.479 25.298 18.021 799 HG CYS 101 HG CYS 101 54.119 26.507 18.462 800 H ARG 102 H ARG 102 57.411 29.307 19.389 801 HA ARG 102 HA ARG 102 55.967 31.028 17.733 802 HB2 ARG 102 HB2 ARG 102 56.448 31.421 20.147 803 HB3 ARG 102 HB3 ARG 102 58.110 31.826 19.716 804 HG2 ARG 102 HG2 ARG 102 57.270 33.638 18.242 805 HG3 ARG 102 HG3 ARG 102 55.621 33.257 18.739 806 HD2 ARG 102 HD2 ARG 102 56.273 33.701 21.105 807 HD3 ARG 102 HD3 ARG 102 57.868 34.190 20.543 808 HE ARG 102 HE ARG 102 56.938 36.162 19.697 809 HH11 ARG 102 HH11 ARG 102 54.375 34.042 20.825 810 HH12 ARG 102 HH12 ARG 102 53.174 35.286 20.738 811 HH21 ARG 102 HH21 ARG 102 55.347 37.721 19.605 812 HH22 ARG 102 HH22 ARG 102 53.717 37.341 20.055 813 H GLY 103 H GLY 103 59.464 30.479 17.932 814 HA2 GLY 103 HA2 GLY 103 59.923 32.369 15.737 815 HA3 GLY 103 HA3 GLY 103 61.164 31.581 16.703 816 H ALA 104 H ALA 104 60.081 28.906 16.439 817 HA ALA 104 HA ALA 104 61.255 28.183 13.924 818 HB1 ALA 104 HB1 ALA 104 61.016 25.961 14.629 819 HB2 ALA 104 HB2 ALA 104 59.600 26.328 15.615 820 HB3 ALA 104 HB3 ALA 104 61.202 26.840 16.147 821 H SER 105 H SER 105 60.262 27.340 12.099 822 HA SER 105 HA SER 105 57.477 28.139 11.730 823 HB2 SER 105 HB2 SER 105 59.525 27.057 9.777 824 HB3 SER 105 HB3 SER 105 57.901 27.588 9.350 825 HG SER 105 HG SER 105 58.504 29.597 9.763 826 H ALA 106 H ALA 106 55.932 26.670 10.727 827 HA ALA 106 HA ALA 106 55.510 24.330 12.087 828 HB1 ALA 106 HB1 ALA 106 53.940 23.709 10.286 829 HB2 ALA 106 HB2 ALA 106 54.600 25.005 9.288 830 HB3 ALA 106 HB3 ALA 106 53.769 25.387 10.794 831 HA PRO 107 HA PRO 107 57.385 21.603 8.569 832 HB2 PRO 107 HB2 PRO 107 59.486 22.825 7.183 833 HB3 PRO 107 HB3 PRO 107 57.860 22.523 6.547 834 HG2 PRO 107 HG2 PRO 107 59.029 25.012 7.630 835 HG3 PRO 107 HG3 PRO 107 57.835 24.783 6.341 836 HD2 PRO 107 HD2 PRO 107 57.143 25.656 8.791 837 HD3 PRO 107 HD3 PRO 107 56.054 24.653 7.815 838 H ALA 108 H ALA 108 59.372 24.102 10.101 839 HA ALA 108 HA ALA 108 61.649 22.538 10.650 840 HB1 ALA 108 HB1 ALA 108 62.262 24.221 12.194 841 HB2 ALA 108 HB2 ALA 108 60.582 24.656 12.513 842 HB3 ALA 108 HB3 ALA 108 61.323 25.069 10.967 843 H LEU 109 H LEU 109 58.649 23.032 12.479 844 HA LEU 109 HA LEU 109 59.294 21.516 14.747 845 HB2 LEU 109 HB2 LEU 109 56.580 21.810 13.433 846 HB3 LEU 109 HB3 LEU 109 56.881 21.328 15.102 847 HG LEU 109 HG LEU 109 57.698 23.988 13.895 848 HD11 LEU 109 HD11 LEU 109 55.867 24.951 15.111 849 HD12 LEU 109 HD12 LEU 109 55.532 23.427 15.934 850 HD13 LEU 109 HD13 LEU 109 55.207 23.587 14.207 851 HD21 LEU 109 HD21 LEU 109 58.005 22.710 16.604 852 HD22 LEU 109 HD22 LEU 109 57.879 24.463 16.468 853 HD23 LEU 109 HD23 LEU 109 59.196 23.608 15.664 854 H LEU 110 H LEU 110 57.914 20.543 11.630 855 HA LEU 110 HA LEU 110 57.388 17.848 12.189 856 HB2 LEU 110 HB2 LEU 110 56.717 19.019 10.103 857 HB3 LEU 110 HB3 LEU 110 58.403 19.023 9.587 858 HG LEU 110 HG LEU 110 58.374 16.499 9.816 859 HD11 LEU 110 HD11 LEU 110 55.954 15.584 9.634 860 HD12 LEU 110 HD12 LEU 110 55.470 17.134 10.324 861 HD13 LEU 110 HD13 LEU 110 56.536 16.060 11.229 862 HD21 LEU 110 HD21 LEU 110 56.336 17.634 7.877 863 HD22 LEU 110 HD22 LEU 110 57.291 16.165 7.670 864 HD23 LEU 110 HD23 LEU 110 58.082 17.741 7.645 865 H ALA 111 H ALA 111 60.353 19.418 11.053 866 HA ALA 111 HA ALA 111 61.952 17.120 10.809 867 HB1 ALA 111 HB1 ALA 111 62.667 19.273 9.921 868 HB2 ALA 111 HB2 ALA 111 63.870 18.676 11.064 869 HB3 ALA 111 HB3 ALA 111 62.746 19.946 11.550 870 H ALA 112 H ALA 112 61.289 19.205 13.593 871 HA ALA 112 HA ALA 112 63.134 18.081 15.384 872 HB1 ALA 112 HB1 ALA 112 61.784 19.072 17.145 873 HB2 ALA 112 HB2 ALA 112 60.411 19.227 16.049 874 HB3 ALA 112 HB3 ALA 112 61.865 20.187 15.782 875 H LEU 113 H LEU 113 59.798 17.156 14.619 876 HA LEU 113 HA LEU 113 59.446 15.201 16.601 877 HB2 LEU 113 HB2 LEU 113 58.258 15.763 13.920 878 HB3 LEU 113 HB3 LEU 113 57.953 14.174 14.613 879 HG LEU 113 HG LEU 113 57.560 16.616 16.321 880 HD11 LEU 113 HD11 LEU 113 56.259 17.265 14.441 881 HD12 LEU 113 HD12 LEU 113 55.109 16.484 15.527 882 HD13 LEU 113 HD13 LEU 113 55.737 15.609 14.130 883 HD21 LEU 113 HD21 LEU 113 57.384 14.471 17.417 884 HD22 LEU 113 HD22 LEU 113 56.356 13.840 16.131 885 HD23 LEU 113 HD23 LEU 113 55.742 15.086 17.221 886 H THR 114 H THR 114 60.645 14.889 13.276 887 HA THR 114 HA THR 114 60.974 12.084 13.368 888 HB THR 114 HB THR 114 62.332 12.367 11.341 889 HG1 THR 114 HG1 THR 114 62.558 14.618 10.721 890 HG21 THR 114 HG21 THR 114 60.571 13.112 10.012 891 HG22 THR 114 HG22 THR 114 60.144 14.408 11.127 892 HG23 THR 114 HG23 THR 114 59.727 12.740 11.516 893 H SER 115 H SER 115 63.247 14.726 14.048 894 HA SER 115 HA SER 115 65.546 13.130 14.375 895 HB2 SER 115 HB2 SER 115 64.893 15.751 15.741 896 HB3 SER 115 HB3 SER 115 66.494 15.046 15.540 897 HG SER 115 HG SER 115 66.317 16.269 13.806 898 H ALA 116 H ALA 116 63.115 14.222 16.731 899 HA ALA 116 HA ALA 116 64.373 13.230 19.036 900 HB1 ALA 116 HB1 ALA 116 62.485 14.816 19.090 901 HB2 ALA 116 HB2 ALA 116 62.160 13.396 20.084 902 HB3 ALA 116 HB3 ALA 116 61.410 13.550 18.496 903 H ALA 117 H ALA 117 62.139 11.686 16.759 904 HA ALA 117 HA ALA 117 61.693 9.303 18.163 905 HB1 ALA 117 HB1 ALA 117 61.946 9.337 15.175 906 HB2 ALA 117 HB2 ALA 117 60.633 10.214 15.961 907 HB3 ALA 117 HB3 ALA 117 60.789 8.472 16.185 908 H LEU 118 H LEU 118 64.436 10.315 16.203 909 HA LEU 118 HA LEU 118 65.601 7.835 15.659 910 HB2 LEU 118 HB2 LEU 118 67.011 10.439 16.297 911 HB3 LEU 118 HB3 LEU 118 67.732 9.050 15.485 912 HG LEU 118 HG LEU 118 65.333 10.590 14.455 913 HD11 LEU 118 HD11 LEU 118 67.489 11.876 14.434 914 HD12 LEU 118 HD12 LEU 118 66.855 11.546 12.822 915 HD13 LEU 118 HD13 LEU 118 68.195 10.590 13.456 916 HD21 LEU 118 HD21 LEU 118 66.929 8.231 13.475 917 HD22 LEU 118 HD22 LEU 118 66.122 9.295 12.322 918 HD23 LEU 118 HD23 LEU 118 65.178 8.432 13.536 919 H GLU 119 H GLU 119 65.696 9.771 18.615 920 HA GLU 119 HA GLU 119 67.807 8.493 19.926 921 HB2 GLU 119 HB2 GLU 119 65.277 9.680 21.089 922 HB3 GLU 119 HB3 GLU 119 66.719 9.265 22.017 923 HG2 GLU 119 HG2 GLU 119 68.049 10.803 20.584 924 HG3 GLU 119 HG3 GLU 119 66.575 11.263 19.744 925 H HIS 120 H HIS 120 68.010 6.662 21.109 926 HA HIS 120 HA HIS 120 65.638 4.951 21.492 927 HB2 HIS 120 HB2 HIS 120 66.872 4.255 19.441 928 HB3 HIS 120 HB3 HIS 120 68.302 4.005 20.424 929 HD1 HIS 120 HD1 HIS 120 64.715 2.734 20.197 930 HD2 HIS 120 HD2 HIS 120 68.479 1.441 21.438 931 HE1 HIS 120 HE1 HIS 120 64.464 0.294 20.818 932 H HIS 121 H HIS 121 65.516 4.226 23.533 933 HA HIS 121 HA HIS 121 68.001 3.913 25.092 934 HB2 HIS 121 HB2 HIS 121 67.062 6.128 25.610 935 HB3 HIS 121 HB3 HIS 121 65.535 5.379 26.034 936 HD1 HIS 121 HD1 HIS 121 65.360 4.258 28.337 937 HD2 HIS 121 HD2 HIS 121 69.173 5.730 27.515 938 HE1 HIS 121 HE1 HIS 121 66.650 4.157 30.512 939 H HIS 122 H HIS 122 67.742 1.663 24.900 940 HA HIS 122 HA HIS 122 65.747 0.586 26.776 941 HB2 HIS 122 HB2 HIS 122 66.272 -0.398 23.975 942 HB3 HIS 122 HB3 HIS 122 65.505 -1.389 25.203 943 HD1 HIS 122 HD1 HIS 122 63.059 -0.891 25.773 944 HD2 HIS 122 HD2 HIS 122 64.679 1.812 23.045 945 HE1 HIS 122 HE1 HIS 122 61.120 0.465 24.873 946 H HIS 123 H HIS 123 66.446 -1.167 27.966 947 HA HIS 123 HA HIS 123 69.207 -2.114 27.472 948 HB2 HIS 123 HB2 HIS 123 69.172 -0.442 29.295 949 HB3 HIS 123 HB3 HIS 123 68.002 -1.426 30.154 950 HD1 HIS 123 HD1 HIS 123 71.499 -1.886 28.682 951 HD2 HIS 123 HD2 HIS 123 69.230 -3.094 31.964 952 HE1 HIS 123 HE1 HIS 123 73.029 -3.288 30.132 953 H HIS 124 H HIS 124 69.501 -4.260 27.649 954 HA HIS 124 HA HIS 124 67.262 -5.894 28.706 955 HB2 HIS 124 HB2 HIS 124 69.105 -6.502 26.391 956 HB3 HIS 124 HB3 HIS 124 67.903 -7.599 27.042 957 HD1 HIS 124 HD1 HIS 124 65.335 -6.532 26.953 958 HD2 HIS 124 HD2 HIS 124 68.161 -4.968 24.318 959 HE1 HIS 124 HE1 HIS 124 64.036 -5.360 25.124 960 H HIS 125 H HIS 125 67.775 -7.588 30.026 961 HA HIS 125 HA HIS 125 70.475 -7.596 31.124 962 HB2 HIS 125 HB2 HIS 125 68.028 -9.170 31.932 963 HB3 HIS 125 HB3 HIS 125 69.536 -9.088 32.821 964 HD1 HIS 125 HD1 HIS 125 70.184 -6.516 33.611 965 HD2 HIS 125 HD2 HIS 125 66.185 -7.284 32.714 966 HE1 HIS 125 HE1 HIS 125 68.842 -4.655 34.678 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 58.702 6.280 10.482 2 H2 MET 1 HT2 MET 1 57.245 6.605 11.293 3 H3 MET 1 HT3 MET 1 58.235 7.884 10.775 4 HA MET 1 HA MET 1 57.867 7.199 8.452 5 HB2 MET 1 HB2 MET 1 55.825 5.370 9.757 6 HB3 MET 1 HB3 MET 1 56.043 5.600 8.024 7 HG2 MET 1 HG2 MET 1 58.098 4.457 9.941 8 HG3 MET 1 HG3 MET 1 57.163 3.542 8.762 9 HE1 MET 1 HE1 MET 1 58.385 4.586 5.380 10 HE2 MET 1 HE2 MET 1 57.236 5.669 6.162 11 HE3 MET 1 HE3 MET 1 57.097 3.928 6.396 12 H ASP 2 H ASP 2 55.144 7.030 10.756 13 HA ASP 2 HA ASP 2 54.208 9.651 9.743 14 HB2 ASP 2 HB2 ASP 2 52.486 7.290 10.529 15 HB3 ASP 2 HB3 ASP 2 51.910 8.857 9.964 16 HA PRO 3 HA PRO 3 55.209 9.688 14.307 17 HB2 PRO 3 HB2 PRO 3 55.316 12.506 14.364 18 HB3 PRO 3 HB3 PRO 3 56.697 11.403 14.232 19 HG2 PRO 3 HG2 PRO 3 55.273 12.903 12.116 20 HG3 PRO 3 HG3 PRO 3 56.991 12.486 12.257 21 HD2 PRO 3 HD2 PRO 3 55.385 11.175 10.549 22 HD3 PRO 3 HD3 PRO 3 56.681 10.328 11.424 23 H LYS 4 H LYS 4 53.929 10.272 16.096 24 HA LYS 4 HA LYS 4 51.213 11.265 15.433 25 HB2 LYS 4 HB2 LYS 4 52.080 9.300 17.568 26 HB3 LYS 4 HB3 LYS 4 50.432 9.875 17.321 27 HG2 LYS 4 HG2 LYS 4 50.504 8.955 15.000 28 HG3 LYS 4 HG3 LYS 4 52.099 8.289 15.346 29 HD2 LYS 4 HD2 LYS 4 51.106 7.030 17.262 30 HD3 LYS 4 HD3 LYS 4 49.514 7.611 16.775 31 HE2 LYS 4 HE2 LYS 4 49.975 5.345 15.879 32 HE3 LYS 4 HE3 LYS 4 49.759 6.527 14.589 33 HZ1 LYS 4 HZ1 LYS 4 52.475 6.253 15.536 34 HZ2 LYS 4 HZ2 LYS 4 51.879 6.335 13.947 35 HZ3 LYS 4 HZ3 LYS 4 51.852 4.861 14.791 36 H VAL 5 H VAL 5 50.367 12.905 16.678 37 HA VAL 5 HA VAL 5 51.808 13.639 19.153 38 HB VAL 5 HB VAL 5 51.406 16.046 18.603 39 HG11 VAL 5 HG11 VAL 5 53.247 15.987 16.723 40 HG12 VAL 5 HG12 VAL 5 53.262 14.257 17.071 41 HG13 VAL 5 HG13 VAL 5 53.628 15.416 18.349 42 HG21 VAL 5 HG21 VAL 5 51.158 16.540 16.131 43 HG22 VAL 5 HG22 VAL 5 49.707 15.894 16.899 44 HG23 VAL 5 HG23 VAL 5 50.719 14.847 15.903 45 H LEU 6 H LEU 6 50.636 14.396 20.805 46 HA LEU 6 HA LEU 6 47.700 14.178 20.561 47 HB2 LEU 6 HB2 LEU 6 48.891 12.741 22.244 48 HB3 LEU 6 HB3 LEU 6 49.375 14.215 23.081 49 HG LEU 6 HG LEU 6 46.813 14.776 23.004 50 HD11 LEU 6 HD11 LEU 6 45.608 12.463 23.326 51 HD12 LEU 6 HD12 LEU 6 46.950 11.843 22.364 52 HD13 LEU 6 HD13 LEU 6 45.883 13.076 21.696 53 HD21 LEU 6 HD21 LEU 6 47.891 12.591 24.815 54 HD22 LEU 6 HD22 LEU 6 46.527 13.650 25.168 55 HD23 LEU 6 HD23 LEU 6 48.154 14.320 25.050 56 H ILE 7 H ILE 7 46.392 15.897 21.021 57 HA ILE 7 HA ILE 7 47.754 18.479 21.480 58 HB ILE 7 HB ILE 7 44.988 17.985 20.350 59 HG12 ILE 7 HG12 ILE 7 47.476 18.821 18.841 60 HG13 ILE 7 HG13 ILE 7 46.945 17.142 18.933 61 HG21 ILE 7 HG21 ILE 7 45.174 20.348 19.647 62 HG22 ILE 7 HG22 ILE 7 46.752 20.456 20.429 63 HG23 ILE 7 HG23 ILE 7 45.302 20.199 21.399 64 HD11 ILE 7 HD11 ILE 7 45.114 19.365 18.007 65 HD12 ILE 7 HD12 ILE 7 44.886 17.625 17.837 66 HD13 ILE 7 HD13 ILE 7 46.133 18.449 16.900 67 H MET 8 H MET 8 47.383 19.626 23.223 68 HA MET 8 HA MET 8 45.293 18.872 25.130 69 HB2 MET 8 HB2 MET 8 47.525 20.926 25.233 70 HB3 MET 8 HB3 MET 8 46.417 20.591 26.558 71 HG2 MET 8 HG2 MET 8 48.255 18.552 25.265 72 HG3 MET 8 HG3 MET 8 48.574 19.363 26.795 73 HE1 MET 8 HE1 MET 8 46.102 19.604 28.351 74 HE2 MET 8 HE2 MET 8 47.458 18.754 29.077 75 HE3 MET 8 HE3 MET 8 45.844 18.061 29.167 76 H ARG 9 H ARG 9 43.456 20.086 25.436 77 HA ARG 9 HA ARG 9 42.555 21.777 23.392 78 HB2 ARG 9 HB2 ARG 9 41.085 20.568 25.015 79 HB3 ARG 9 HB3 ARG 9 41.558 21.740 26.245 80 HG2 ARG 9 HG2 ARG 9 40.701 23.573 24.824 81 HG3 ARG 9 HG3 ARG 9 40.185 22.389 23.624 82 HD2 ARG 9 HD2 ARG 9 38.751 21.314 25.368 83 HD3 ARG 9 HD3 ARG 9 39.198 22.603 26.481 84 HE ARG 9 HE ARG 9 37.330 22.780 24.286 85 HH11 ARG 9 HH11 ARG 9 39.471 24.646 26.350 86 HH12 ARG 9 HH12 ARG 9 38.601 26.120 26.088 87 HH21 ARG 9 HH21 ARG 9 36.251 24.708 23.988 88 HH22 ARG 9 HH22 ARG 9 36.800 26.153 24.768 89 H GLY 10 H GLY 10 42.376 23.979 23.178 90 HA2 GLY 10 HA2 GLY 10 43.513 25.730 25.226 91 HA3 GLY 10 HA3 GLY 10 44.324 25.704 23.663 92 H GLU 11 H GLU 11 43.436 28.085 24.338 93 HA GLU 11 HA GLU 11 40.760 28.747 23.831 94 HB2 GLU 11 HB2 GLU 11 43.268 30.384 23.407 95 HB3 GLU 11 HB3 GLU 11 41.628 31.033 23.397 96 HG2 GLU 11 HG2 GLU 11 42.907 29.559 25.716 97 HG3 GLU 11 HG3 GLU 11 42.713 31.304 25.610 98 H GLY 12 H GLY 12 43.431 28.170 21.604 99 HA2 GLY 12 HA2 GLY 12 42.190 29.341 19.313 100 HA3 GLY 12 HA3 GLY 12 43.554 28.228 19.299 101 H GLY 13 H GLY 13 42.091 27.674 17.296 102 HA2 GLY 13 HA2 GLY 13 39.794 26.006 17.921 103 HA3 GLY 13 HA3 GLY 13 40.414 26.377 16.314 104 H ARG 14 H ARG 14 39.982 23.936 18.459 105 HA ARG 14 HA ARG 14 42.367 22.462 18.459 106 HB2 ARG 14 HB2 ARG 14 39.523 21.415 18.376 107 HB3 ARG 14 HB3 ARG 14 40.943 20.510 18.899 108 HG2 ARG 14 HG2 ARG 14 41.312 22.098 20.727 109 HG3 ARG 14 HG3 ARG 14 39.926 23.053 20.201 110 HD2 ARG 14 HD2 ARG 14 39.104 21.709 21.965 111 HD3 ARG 14 HD3 ARG 14 38.549 20.910 20.499 112 HE ARG 14 HE ARG 14 40.782 19.570 20.870 113 HH11 ARG 14 HH11 ARG 14 38.434 20.508 23.320 114 HH12 ARG 14 HH12 ARG 14 38.922 19.247 24.398 115 HH21 ARG 14 HH21 ARG 14 41.350 17.969 22.309 116 HH22 ARG 14 HH22 ARG 14 40.545 17.833 23.837 117 H GLU 15 H GLU 15 39.673 22.512 16.153 118 HA GLU 15 HA GLU 15 40.623 20.448 14.477 119 HB2 GLU 15 HB2 GLU 15 38.294 21.359 14.474 120 HB3 GLU 15 HB3 GLU 15 38.908 22.807 13.676 121 HG2 GLU 15 HG2 GLU 15 39.803 21.378 11.843 122 HG3 GLU 15 HG3 GLU 15 39.089 19.972 12.620 123 H PHE 16 H PHE 16 41.130 23.966 14.419 124 HA PHE 16 HA PHE 16 42.295 24.161 11.884 125 HB2 PHE 16 HB2 PHE 16 41.593 26.078 13.292 126 HB3 PHE 16 HB3 PHE 16 42.967 25.783 14.340 127 HD1 PHE 16 HD1 PHE 16 41.922 26.849 10.951 128 HD2 PHE 16 HD2 PHE 16 45.181 26.491 13.725 129 HE1 PHE 16 HE1 PHE 16 43.324 28.278 9.488 130 HE2 PHE 16 HE2 PHE 16 46.584 27.920 12.263 131 HZ PHE 16 HZ PHE 16 45.655 28.814 10.144 132 H LEU 17 H LEU 17 43.939 23.846 15.045 133 HA LEU 17 HA LEU 17 46.553 23.737 14.034 134 HB2 LEU 17 HB2 LEU 17 45.464 22.388 16.519 135 HB3 LEU 17 HB3 LEU 17 47.160 22.736 16.188 136 HG LEU 17 HG LEU 17 44.979 24.834 16.384 137 HD11 LEU 17 HD11 LEU 17 45.343 23.908 18.577 138 HD12 LEU 17 HD12 LEU 17 46.225 25.433 18.508 139 HD13 LEU 17 HD13 LEU 17 47.093 23.906 18.346 140 HD21 LEU 17 HD21 LEU 17 46.669 25.748 15.022 141 HD22 LEU 17 HD22 LEU 17 47.951 24.896 15.883 142 HD23 LEU 17 HD23 LEU 17 47.146 26.273 16.637 143 H ALA 18 H ALA 18 44.211 21.135 14.643 144 HA ALA 18 HA ALA 18 45.930 18.986 14.136 145 HB1 ALA 18 HB1 ALA 18 43.696 17.825 13.458 146 HB2 ALA 18 HB2 ALA 18 42.951 19.337 13.978 147 HB3 ALA 18 HB3 ALA 18 43.897 18.382 15.120 148 H GLU 19 H GLU 19 43.925 20.867 11.873 149 HA GLU 19 HA GLU 19 44.342 19.230 9.625 150 HB2 GLU 19 HB2 GLU 19 43.799 22.199 9.817 151 HB3 GLU 19 HB3 GLU 19 43.794 21.291 8.305 152 HG2 GLU 19 HG2 GLU 19 42.043 20.687 10.702 153 HG3 GLU 19 HG3 GLU 19 41.512 21.524 9.249 154 H ARG 20 H ARG 20 46.210 21.973 10.897 155 HA ARG 20 HA ARG 20 48.027 22.208 8.772 156 HB2 ARG 20 HB2 ARG 20 47.813 23.819 10.659 157 HB3 ARG 20 HB3 ARG 20 48.615 22.648 11.707 158 HG2 ARG 20 HG2 ARG 20 50.574 22.663 10.159 159 HG3 ARG 20 HG3 ARG 20 49.783 23.929 9.220 160 HD2 ARG 20 HD2 ARG 20 50.519 24.124 12.154 161 HD3 ARG 20 HD3 ARG 20 51.399 24.881 10.829 162 HE ARG 20 HE ARG 20 48.818 25.705 11.912 163 HH11 ARG 20 HH11 ARG 20 51.152 26.080 9.315 164 HH12 ARG 20 HH12 ARG 20 50.512 27.614 8.828 165 HH21 ARG 20 HH21 ARG 20 48.039 27.682 11.238 166 HH22 ARG 20 HH22 ARG 20 48.771 28.508 9.904 167 H LEU 21 H LEU 21 48.365 20.302 11.788 168 HA LEU 21 HA LEU 21 50.880 19.210 11.110 169 HB2 LEU 21 HB2 LEU 21 48.729 18.262 13.002 170 HB3 LEU 21 HB3 LEU 21 50.290 17.456 12.839 171 HG LEU 21 HG LEU 21 50.031 20.414 13.423 172 HD11 LEU 21 HD11 LEU 21 50.800 19.502 15.786 173 HD12 LEU 21 HD12 LEU 21 49.981 18.035 15.251 174 HD13 LEU 21 HD13 LEU 21 49.089 19.551 15.365 175 HD21 LEU 21 HD21 LEU 21 52.213 20.050 12.685 176 HD22 LEU 21 HD22 LEU 21 52.254 18.397 13.297 177 HD23 LEU 21 HD23 LEU 21 52.402 19.753 14.413 178 H ARG 22 H ARG 22 47.589 18.095 10.449 179 HA ARG 22 HA ARG 22 48.230 15.533 9.483 180 HB2 ARG 22 HB2 ARG 22 45.928 16.308 10.022 181 HB3 ARG 22 HB3 ARG 22 45.972 17.350 8.602 182 HG2 ARG 22 HG2 ARG 22 44.847 15.391 7.880 183 HG3 ARG 22 HG3 ARG 22 46.484 15.214 7.256 184 HD2 ARG 22 HD2 ARG 22 47.061 13.817 9.231 185 HD3 ARG 22 HD3 ARG 22 45.397 13.958 9.790 186 HE ARG 22 HE ARG 22 45.739 12.915 7.093 187 HH11 ARG 22 HH11 ARG 22 45.309 12.121 10.486 188 HH12 ARG 22 HH12 ARG 22 44.740 10.522 10.143 189 HH21 ARG 22 HH21 ARG 22 44.999 10.846 6.713 190 HH22 ARG 22 HH22 ARG 22 44.566 9.810 8.032 191 H GLY 23 H GLY 23 48.007 18.667 7.828 192 HA2 GLY 23 HA2 GLY 23 48.381 17.756 5.203 193 HA3 GLY 23 HA3 GLY 23 48.794 19.365 5.782 194 H GLN 24 H GLN 24 50.728 18.381 7.762 195 HA GLN 24 HA GLN 24 52.968 17.994 5.952 196 HB2 GLN 24 HB2 GLN 24 52.846 18.412 8.937 197 HB3 GLN 24 HB3 GLN 24 54.344 18.260 8.014 198 HG2 GLN 24 HG2 GLN 24 53.722 20.188 6.637 199 HG3 GLN 24 HG3 GLN 24 52.190 20.329 7.497 200 HE21 GLN 24 HE21 GLN 24 54.146 22.451 7.424 201 HE22 GLN 24 HE22 GLN 24 54.727 22.674 9.002 202 H GLY 25 H GLY 25 50.933 15.735 7.081 203 HA2 GLY 25 HA2 GLY 25 51.270 13.439 6.727 204 HA3 GLY 25 HA3 GLY 25 53.003 13.699 6.810 205 H VAL 26 H VAL 26 51.293 15.152 9.416 206 HA VAL 26 HA VAL 26 52.183 12.984 11.198 207 HB VAL 26 HB VAL 26 51.311 15.804 11.888 208 HG11 VAL 26 HG11 VAL 26 51.056 14.093 13.695 209 HG12 VAL 26 HG12 VAL 26 52.264 15.320 14.078 210 HG13 VAL 26 HG13 VAL 26 52.773 13.720 13.537 211 HG21 VAL 26 HG21 VAL 26 53.356 15.964 10.641 212 HG22 VAL 26 HG22 VAL 26 54.038 14.558 11.458 213 HG23 VAL 26 HG23 VAL 26 53.808 16.067 12.342 214 H GLN 27 H GLN 27 50.780 11.847 12.446 215 HA GLN 27 HA GLN 27 47.939 12.067 11.855 216 HB2 GLN 27 HB2 GLN 27 49.402 10.221 13.756 217 HB3 GLN 27 HB3 GLN 27 47.723 10.064 13.247 218 HG2 GLN 27 HG2 GLN 27 48.516 9.863 10.880 219 HG3 GLN 27 HG3 GLN 27 50.175 9.860 11.478 220 HE21 GLN 27 HE21 GLN 27 50.976 7.914 12.456 221 HE22 GLN 27 HE22 GLN 27 50.059 6.488 12.534 222 H VAL 28 H VAL 28 46.377 12.813 13.262 223 HA VAL 28 HA VAL 28 47.414 14.192 15.679 224 HB VAL 28 HB VAL 28 45.149 15.064 13.870 225 HG11 VAL 28 HG11 VAL 28 46.366 16.121 16.409 226 HG12 VAL 28 HG12 VAL 28 44.665 15.978 15.969 227 HG13 VAL 28 HG13 VAL 28 45.658 17.241 15.248 228 HG21 VAL 28 HG21 VAL 28 46.690 16.849 13.166 229 HG22 VAL 28 HG22 VAL 28 47.380 15.269 12.796 230 HG23 VAL 28 HG23 VAL 28 47.956 16.177 14.194 231 H ASP 29 H ASP 29 46.540 13.705 17.549 232 HA ASP 29 HA ASP 29 43.696 12.918 17.633 233 HB2 ASP 29 HB2 ASP 29 45.162 10.924 18.014 234 HB3 ASP 29 HB3 ASP 29 45.866 11.756 19.397 235 H TYR 30 H TYR 30 42.553 14.263 18.929 236 HA TYR 30 HA TYR 30 44.069 15.959 20.832 237 HB2 TYR 30 HB2 TYR 30 42.387 17.658 20.514 238 HB3 TYR 30 HB3 TYR 30 43.078 17.198 18.972 239 HD1 TYR 30 HD1 TYR 30 40.085 17.712 20.826 240 HD2 TYR 30 HD2 TYR 30 41.736 15.468 17.558 241 HE1 TYR 30 HE1 TYR 30 37.798 17.293 19.961 242 HE2 TYR 30 HE2 TYR 30 39.450 15.050 16.691 243 HH TYR 30 HH TYR 30 37.235 15.179 17.264 244 H LEU 31 H LEU 31 43.465 16.014 22.939 245 HA LEU 31 HA LEU 31 41.362 14.079 23.715 246 HB2 LEU 31 HB2 LEU 31 43.695 13.391 24.189 247 HB3 LEU 31 HB3 LEU 31 43.882 14.818 25.205 248 HG LEU 31 HG LEU 31 41.735 13.902 26.420 249 HD11 LEU 31 HD11 LEU 31 41.056 12.089 25.106 250 HD12 LEU 31 HD12 LEU 31 41.986 11.296 26.379 251 HD13 LEU 31 HD13 LEU 31 42.714 11.570 24.794 252 HD21 LEU 31 HD21 LEU 31 44.326 12.376 26.757 253 HD22 LEU 31 HD22 LEU 31 43.144 12.786 28.000 254 HD23 LEU 31 HD23 LEU 31 44.134 14.052 27.274 255 HA PRO 32 HA PRO 32 39.594 17.907 25.645 256 HB2 PRO 32 HB2 PRO 32 37.890 15.790 26.892 257 HB3 PRO 32 HB3 PRO 32 37.416 17.343 26.175 258 HG2 PRO 32 HG2 PRO 32 37.029 15.051 24.889 259 HG3 PRO 32 HG3 PRO 32 37.486 16.534 24.032 260 HD2 PRO 32 HD2 PRO 32 39.140 14.131 24.629 261 HD3 PRO 32 HD3 PRO 32 39.252 15.273 23.274 262 H LEU 33 H LEU 33 40.177 18.799 27.573 263 HA LEU 33 HA LEU 33 42.078 17.452 29.163 264 HB2 LEU 33 HB2 LEU 33 40.589 19.980 29.881 265 HB3 LEU 33 HB3 LEU 33 42.132 19.441 30.534 266 HG LEU 33 HG LEU 33 41.579 20.192 27.650 267 HD11 LEU 33 HD11 LEU 33 43.641 21.643 29.239 268 HD12 LEU 33 HD12 LEU 33 41.966 21.937 29.707 269 HD13 LEU 33 HD13 LEU 33 42.486 22.246 28.055 270 HD21 LEU 33 HD21 LEU 33 44.185 20.045 27.603 271 HD22 LEU 33 HD22 LEU 33 43.252 18.550 27.497 272 HD23 LEU 33 HD23 LEU 33 43.983 19.028 29.031 273 H ASP 34 H ASP 34 38.718 17.129 29.302 274 HA ASP 34 HA ASP 34 38.442 16.929 32.158 275 HB2 ASP 34 HB2 ASP 34 36.625 16.066 29.905 276 HB3 ASP 34 HB3 ASP 34 36.190 16.041 31.612 277 H TYR 35 H TYR 35 39.816 14.774 29.900 278 HA TYR 35 HA TYR 35 38.780 12.308 30.738 279 HB2 TYR 35 HB2 TYR 35 41.254 13.214 29.366 280 HB3 TYR 35 HB3 TYR 35 41.271 11.596 30.040 281 HD1 TYR 35 HD1 TYR 35 40.313 9.811 28.861 282 HD2 TYR 35 HD2 TYR 35 39.296 13.847 27.798 283 HE1 TYR 35 HE1 TYR 35 39.083 8.979 26.876 284 HE2 TYR 35 HE2 TYR 35 38.067 13.014 25.813 285 HH TYR 35 HH TYR 35 38.266 10.732 24.376 286 HA PRO 36 HA PRO 36 40.614 11.967 34.755 287 HB2 PRO 36 HB2 PRO 36 40.472 9.318 35.242 288 HB3 PRO 36 HB3 PRO 36 39.017 10.326 35.114 289 HG2 PRO 36 HG2 PRO 36 40.214 8.475 33.121 290 HG3 PRO 36 HG3 PRO 36 38.510 8.776 33.505 291 HD2 PRO 36 HD2 PRO 36 39.831 9.886 31.338 292 HD3 PRO 36 HD3 PRO 36 38.368 10.562 32.080 293 H ALA 37 H ALA 37 42.486 11.372 35.915 294 HA ALA 37 HA ALA 37 44.880 11.300 34.509 295 HB1 ALA 37 HB1 ALA 37 44.835 12.004 36.814 296 HB2 ALA 37 HB2 ALA 37 45.904 10.608 36.691 297 HB3 ALA 37 HB3 ALA 37 44.274 10.416 37.337 298 H GLY 38 H GLY 38 46.472 9.670 34.218 299 HA2 GLY 38 HA2 GLY 38 47.204 7.422 34.092 300 HA3 GLY 38 HA3 GLY 38 45.553 6.890 34.393 301 H GLU 39 H GLU 39 44.297 8.588 32.401 302 HA GLU 39 HA GLU 39 44.433 6.817 30.212 303 HB2 GLU 39 HB2 GLU 39 43.311 9.619 30.392 304 HB3 GLU 39 HB3 GLU 39 43.054 8.526 29.031 305 HG2 GLU 39 HG2 GLU 39 42.288 7.952 31.908 306 HG3 GLU 39 HG3 GLU 39 41.174 8.437 30.637 307 H LEU 40 H LEU 40 46.025 9.914 30.828 308 HA LEU 40 HA LEU 40 46.935 10.420 28.211 309 HB2 LEU 40 HB2 LEU 40 46.991 12.064 30.078 310 HB3 LEU 40 HB3 LEU 40 48.294 11.137 30.821 311 HG LEU 40 HG LEU 40 49.570 11.432 28.622 312 HD11 LEU 40 HD11 LEU 40 47.758 12.068 27.160 313 HD12 LEU 40 HD12 LEU 40 48.819 13.468 27.321 314 HD13 LEU 40 HD13 LEU 40 47.302 13.401 28.221 315 HD21 LEU 40 HD21 LEU 40 50.428 13.565 29.304 316 HD22 LEU 40 HD22 LEU 40 49.898 12.755 30.777 317 HD23 LEU 40 HD23 LEU 40 48.895 14.013 30.054 318 H LEU 41 H LEU 41 48.451 8.674 30.919 319 HA LEU 41 HA LEU 41 50.920 8.197 29.634 320 HB2 LEU 41 HB2 LEU 41 50.496 7.960 32.087 321 HB3 LEU 41 HB3 LEU 41 49.598 6.481 31.747 322 HG LEU 41 HG LEU 41 51.714 5.681 30.516 323 HD11 LEU 41 HD11 LEU 41 52.726 8.128 31.965 324 HD12 LEU 41 HD12 LEU 41 52.969 7.677 30.278 325 HD13 LEU 41 HD13 LEU 41 53.796 6.787 31.555 326 HD21 LEU 41 HD21 LEU 41 52.866 5.287 32.848 327 HD22 LEU 41 HD22 LEU 41 51.290 4.566 32.523 328 HD23 LEU 41 HD23 LEU 41 51.403 6.042 33.482 329 H ALA 42 H ALA 42 47.958 6.236 29.838 330 HA ALA 42 HA ALA 42 49.004 3.943 28.578 331 HB1 ALA 42 HB1 ALA 42 46.495 3.583 27.983 332 HB2 ALA 42 HB2 ALA 42 46.227 5.023 28.964 333 HB3 ALA 42 HB3 ALA 42 46.971 3.595 29.681 334 H ARG 43 H ARG 43 47.312 6.765 27.241 335 HA ARG 43 HA ARG 43 47.136 5.863 24.582 336 HB2 ARG 43 HB2 ARG 43 45.945 7.849 25.518 337 HB3 ARG 43 HB3 ARG 43 47.479 8.713 25.555 338 HG2 ARG 43 HG2 ARG 43 46.472 9.388 23.522 339 HG3 ARG 43 HG3 ARG 43 47.644 8.161 23.040 340 HD2 ARG 43 HD2 ARG 43 45.840 6.458 23.047 341 HD3 ARG 43 HD3 ARG 43 44.678 7.709 23.480 342 HE ARG 43 HE ARG 43 46.184 8.319 21.095 343 HH11 ARG 43 HH11 ARG 43 43.344 6.643 22.301 344 HH12 ARG 43 HH12 ARG 43 42.534 6.706 20.771 345 HH21 ARG 43 HH21 ARG 43 45.091 8.371 19.151 346 HH22 ARG 43 HH22 ARG 43 43.511 7.673 19.012 347 H VAL 44 H VAL 44 49.697 7.657 26.270 348 HA VAL 44 HA VAL 44 51.264 8.210 23.997 349 HB VAL 44 HB VAL 44 52.118 7.844 26.880 350 HG11 VAL 44 HG11 VAL 44 53.955 9.491 26.057 351 HG12 VAL 44 HG12 VAL 44 53.539 8.912 24.444 352 HG13 VAL 44 HG13 VAL 44 54.135 7.782 25.659 353 HG21 VAL 44 HG21 VAL 44 50.344 9.643 26.142 354 HG22 VAL 44 HG22 VAL 44 51.741 10.471 25.466 355 HG23 VAL 44 HG23 VAL 44 51.677 10.117 27.191 356 H ARG 45 H ARG 45 51.361 5.486 26.284 357 HA ARG 45 HA ARG 45 53.660 4.280 25.139 358 HB2 ARG 45 HB2 ARG 45 52.850 3.863 27.450 359 HB3 ARG 45 HB3 ARG 45 51.477 2.983 26.783 360 HG2 ARG 45 HG2 ARG 45 53.061 1.305 27.322 361 HG3 ARG 45 HG3 ARG 45 53.222 1.514 25.581 362 HD2 ARG 45 HD2 ARG 45 55.137 3.053 25.966 363 HD3 ARG 45 HD3 ARG 45 54.992 2.767 27.698 364 HE ARG 45 HE ARG 45 55.314 0.388 26.051 365 HH11 ARG 45 HH11 ARG 45 56.936 2.807 28.014 366 HH12 ARG 45 HH12 ARG 45 58.331 1.811 28.264 367 HH21 ARG 45 HH21 ARG 45 57.137 -0.847 26.409 368 HH22 ARG 45 HH22 ARG 45 58.443 -0.231 27.367 369 H ALA 46 H ALA 46 50.184 3.536 24.773 370 HA ALA 46 HA ALA 46 50.622 1.241 23.163 371 HB1 ALA 46 HB1 ALA 46 48.538 1.864 24.522 372 HB2 ALA 46 HB2 ALA 46 48.280 1.140 22.935 373 HB3 ALA 46 HB3 ALA 46 48.098 2.881 23.150 374 H GLU 47 H GLU 47 49.741 4.603 22.341 375 HA GLU 47 HA GLU 47 49.694 4.033 19.520 376 HB2 GLU 47 HB2 GLU 47 49.656 6.648 21.031 377 HB3 GLU 47 HB3 GLU 47 49.423 6.488 19.289 378 HG2 GLU 47 HG2 GLU 47 47.713 5.160 21.410 379 HG3 GLU 47 HG3 GLU 47 47.264 6.594 20.497 380 H ARG 48 H ARG 48 52.286 4.554 21.662 381 HA ARG 48 HA ARG 48 54.496 5.100 21.367 382 HB2 ARG 48 HB2 ARG 48 53.826 4.264 18.534 383 HB3 ARG 48 HB3 ARG 48 55.462 4.520 19.143 384 HG2 ARG 48 HG2 ARG 48 55.024 2.805 20.909 385 HG3 ARG 48 HG3 ARG 48 53.457 2.489 20.166 386 HD2 ARG 48 HD2 ARG 48 56.160 2.152 18.840 387 HD3 ARG 48 HD3 ARG 48 55.096 0.854 19.373 388 HE ARG 48 HE ARG 48 54.843 2.421 16.964 389 HH11 ARG 48 HH11 ARG 48 53.052 0.495 19.289 390 HH12 ARG 48 HH12 ARG 48 51.786 0.134 18.165 391 HH21 ARG 48 HH21 ARG 48 53.184 1.921 15.560 392 HH22 ARG 48 HH22 ARG 48 51.861 0.932 16.080 393 H LEU 49 H LEU 49 53.177 7.301 21.665 394 HA LEU 49 HA LEU 49 53.093 9.068 19.417 395 HB2 LEU 49 HB2 LEU 49 53.014 9.661 22.385 396 HB3 LEU 49 HB3 LEU 49 52.690 10.838 21.116 397 HG LEU 49 HG LEU 49 51.133 8.263 21.506 398 HD11 LEU 49 HD11 LEU 49 49.470 9.521 22.600 399 HD12 LEU 49 HD12 LEU 49 50.118 11.053 22.020 400 HD13 LEU 49 HD13 LEU 49 50.963 10.162 23.285 401 HD21 LEU 49 HD21 LEU 49 50.836 8.830 19.261 402 HD22 LEU 49 HD22 LEU 49 51.029 10.558 19.563 403 HD23 LEU 49 HD23 LEU 49 49.527 9.745 20.008 404 H ASN 50 H ASN 50 54.401 10.811 18.919 405 HA ASN 50 HA ASN 50 57.193 10.506 19.763 406 HB2 ASN 50 HB2 ASN 50 55.940 12.135 17.543 407 HB3 ASN 50 HB3 ASN 50 57.665 12.044 17.878 408 HD21 ASN 50 HD21 ASN 50 58.796 10.362 16.893 409 HD22 ASN 50 HD22 ASN 50 58.064 9.051 16.107 410 H GLY 51 H GLY 51 54.548 12.890 19.682 411 HA2 GLY 51 HA2 GLY 51 56.093 14.589 21.516 412 HA3 GLY 51 HA3 GLY 51 55.709 15.272 19.946 413 H LEU 52 H LEU 52 54.944 16.542 22.176 414 HA LEU 52 HA LEU 52 52.002 16.205 22.205 415 HB2 LEU 52 HB2 LEU 52 53.733 17.109 24.522 416 HB3 LEU 52 HB3 LEU 52 51.980 16.932 24.535 417 HG LEU 52 HG LEU 52 53.935 14.670 24.023 418 HD11 LEU 52 HD11 LEU 52 52.198 15.011 26.464 419 HD12 LEU 52 HD12 LEU 52 53.802 15.740 26.393 420 HD13 LEU 52 HD13 LEU 52 53.623 13.991 26.259 421 HD21 LEU 52 HD21 LEU 52 51.848 13.296 24.431 422 HD22 LEU 52 HD22 LEU 52 51.809 14.249 22.948 423 HD23 LEU 52 HD23 LEU 52 50.925 14.797 24.372 424 H VAL 53 H VAL 53 50.798 18.105 22.097 425 HA VAL 53 HA VAL 53 52.333 20.614 21.702 426 HB VAL 53 HB VAL 53 49.791 19.769 20.281 427 HG11 VAL 53 HG11 VAL 53 51.608 22.168 19.899 428 HG12 VAL 53 HG12 VAL 53 49.991 22.205 20.603 429 HG13 VAL 53 HG13 VAL 53 50.203 21.778 18.905 430 HG21 VAL 53 HG21 VAL 53 51.063 19.279 18.378 431 HG22 VAL 53 HG22 VAL 53 52.080 18.629 19.660 432 HG23 VAL 53 HG23 VAL 53 52.454 20.196 18.948 433 H VAL 54 H VAL 54 51.743 22.274 22.994 434 HA VAL 54 HA VAL 54 48.978 22.299 24.057 435 HB VAL 54 HB VAL 54 49.906 23.511 26.067 436 HG11 VAL 54 HG11 VAL 54 50.858 21.255 27.012 437 HG12 VAL 54 HG12 VAL 54 50.342 20.613 25.452 438 HG13 VAL 54 HG13 VAL 54 49.167 21.371 26.527 439 HG21 VAL 54 HG21 VAL 54 52.191 23.453 26.585 440 HG22 VAL 54 HG22 VAL 54 52.200 23.820 24.860 441 HG23 VAL 54 HG23 VAL 54 52.525 22.177 25.414 442 H SER 55 H SER 55 47.922 24.196 24.027 443 HA SER 55 HA SER 55 49.212 26.384 22.551 444 HB2 SER 55 HB2 SER 55 46.936 25.289 21.923 445 HB3 SER 55 HB3 SER 55 46.295 26.281 23.228 446 HG SER 55 HG SER 55 47.218 27.004 20.792 447 H SER 56 H SER 56 48.287 25.623 25.790 448 HA SER 56 HA SER 56 48.745 28.393 26.584 449 HB2 SER 56 HB2 SER 56 46.654 28.663 27.750 450 HB3 SER 56 HB3 SER 56 46.299 28.233 26.081 451 HG SER 56 HG SER 56 45.145 26.832 27.222 452 H GLY 57 H GLY 57 48.973 28.663 28.896 453 HA2 GLY 57 HA2 GLY 57 50.515 26.701 30.152 454 HA3 GLY 57 HA3 GLY 57 49.729 28.041 30.982 455 H GLN 58 H GLN 58 47.027 27.341 30.346 456 HA GLN 58 HA GLN 58 46.425 25.653 32.507 457 HB2 GLN 58 HB2 GLN 58 44.754 26.390 30.092 458 HB3 GLN 58 HB3 GLN 58 44.129 25.588 31.534 459 HG2 GLN 58 HG2 GLN 58 44.812 27.479 32.924 460 HG3 GLN 58 HG3 GLN 58 45.535 28.273 31.527 461 HE21 GLN 58 HE21 GLN 58 43.457 29.523 33.049 462 HE22 GLN 58 HE22 GLN 58 42.075 29.635 32.070 463 H GLY 59 H GLY 59 46.554 24.962 29.012 464 HA2 GLY 59 HA2 GLY 59 45.734 22.279 29.127 465 HA3 GLY 59 HA3 GLY 59 46.753 22.974 27.869 466 H LEU 60 H LEU 60 48.969 23.736 29.348 467 HA LEU 60 HA LEU 60 50.479 21.381 29.419 468 HB2 LEU 60 HB2 LEU 60 51.408 23.680 29.196 469 HB3 LEU 60 HB3 LEU 60 51.048 23.961 30.899 470 HG LEU 60 HG LEU 60 52.460 21.925 31.434 471 HD11 LEU 60 HD11 LEU 60 52.872 22.143 28.465 472 HD12 LEU 60 HD12 LEU 60 52.627 20.701 29.451 473 HD13 LEU 60 HD13 LEU 60 54.179 21.536 29.483 474 HD21 LEU 60 HD21 LEU 60 54.122 23.943 29.948 475 HD22 LEU 60 HD22 LEU 60 54.417 23.205 31.522 476 HD23 LEU 60 HD23 LEU 60 53.184 24.453 31.352 477 H GLN 61 H GLN 61 48.932 23.187 32.050 478 HA GLN 61 HA GLN 61 49.926 21.647 34.187 479 HB2 GLN 61 HB2 GLN 61 47.333 23.186 33.941 480 HB3 GLN 61 HB3 GLN 61 47.962 22.524 35.449 481 HG2 GLN 61 HG2 GLN 61 49.379 24.547 33.690 482 HG3 GLN 61 HG3 GLN 61 48.557 24.908 35.205 483 HE21 GLN 61 HE21 GLN 61 51.596 24.661 34.116 484 HE22 GLN 61 HE22 GLN 61 52.359 23.946 35.453 485 H ASN 62 H ASN 62 46.985 21.286 32.226 486 HA ASN 62 HA ASN 62 45.866 19.115 33.606 487 HB2 ASN 62 HB2 ASN 62 45.725 19.930 30.703 488 HB3 ASN 62 HB3 ASN 62 44.814 18.568 31.355 489 HD21 ASN 62 HD21 ASN 62 44.771 21.965 30.930 490 HD22 ASN 62 HD22 ASN 62 43.444 22.297 31.931 491 H LEU 63 H LEU 63 48.251 19.205 30.989 492 HA LEU 63 HA LEU 63 48.419 16.455 30.478 493 HB2 LEU 63 HB2 LEU 63 49.499 18.279 29.122 494 HB3 LEU 63 HB3 LEU 63 50.714 18.426 30.390 495 HG LEU 63 HG LEU 63 51.040 15.868 30.073 496 HD11 LEU 63 HD11 LEU 63 49.016 15.577 28.659 497 HD12 LEU 63 HD12 LEU 63 50.481 15.056 27.825 498 HD13 LEU 63 HD13 LEU 63 49.746 16.610 27.430 499 HD21 LEU 63 HD21 LEU 63 51.859 17.647 27.763 500 HD22 LEU 63 HD22 LEU 63 52.741 16.273 28.432 501 HD23 LEU 63 HD23 LEU 63 52.593 17.764 29.362 502 H TYR 64 H TYR 64 50.147 18.480 32.811 503 HA TYR 64 HA TYR 64 51.905 16.515 33.796 504 HB2 TYR 64 HB2 TYR 64 52.041 18.986 34.182 505 HB3 TYR 64 HB3 TYR 64 50.711 18.835 35.314 506 HD1 TYR 64 HD1 TYR 64 51.034 17.792 37.503 507 HD2 TYR 64 HD2 TYR 64 54.270 18.143 34.696 508 HE1 TYR 64 HE1 TYR 64 52.658 17.280 39.307 509 HE2 TYR 64 HE2 TYR 64 55.884 17.635 36.492 510 HH TYR 64 HH TYR 64 55.512 17.912 39.417 511 H GLN 65 H GLN 65 48.706 17.553 34.952 512 HA GLN 65 HA GLN 65 48.639 15.930 37.252 513 HB2 GLN 65 HB2 GLN 65 46.376 17.009 35.556 514 HB3 GLN 65 HB3 GLN 65 46.171 16.271 37.147 515 HG2 GLN 65 HG2 GLN 65 47.595 17.978 38.160 516 HG3 GLN 65 HG3 GLN 65 47.908 18.689 36.580 517 HE21 GLN 65 HE21 GLN 65 46.723 20.211 38.697 518 HE22 GLN 65 HE22 GLN 65 45.126 20.580 38.259 519 H LEU 66 H LEU 66 47.478 15.334 33.951 520 HA LEU 66 HA LEU 66 46.342 12.800 34.499 521 HB2 LEU 66 HB2 LEU 66 47.397 13.919 31.891 522 HB3 LEU 66 HB3 LEU 66 46.396 12.476 32.047 523 HG LEU 66 HG LEU 66 45.566 15.235 32.996 524 HD11 LEU 66 HD11 LEU 66 45.144 13.744 30.417 525 HD12 LEU 66 HD12 LEU 66 45.528 15.447 30.663 526 HD13 LEU 66 HD13 LEU 66 43.902 14.852 30.999 527 HD21 LEU 66 HD21 LEU 66 44.327 13.669 34.244 528 HD22 LEU 66 HD22 LEU 66 44.266 12.517 32.911 529 HD23 LEU 66 HD23 LEU 66 43.280 13.978 32.859 530 H ALA 67 H ALA 67 49.596 13.782 33.539 531 HA ALA 67 HA ALA 67 50.679 11.266 32.964 532 HB1 ALA 67 HB1 ALA 67 51.975 13.694 34.227 533 HB2 ALA 67 HB2 ALA 67 51.889 13.330 32.504 534 HB3 ALA 67 HB3 ALA 67 52.852 12.311 33.573 535 H ALA 68 H ALA 68 50.331 12.979 36.056 536 HA ALA 68 HA ALA 68 50.297 12.190 38.212 537 HB1 ALA 68 HB1 ALA 68 48.708 10.554 36.773 538 HB2 ALA 68 HB2 ALA 68 48.996 10.323 38.498 539 HB3 ALA 68 HB3 ALA 68 49.905 9.378 37.319 540 H ALA 69 H ALA 69 51.289 9.196 38.677 541 HA ALA 69 HA ALA 69 53.830 9.966 39.590 542 HB1 ALA 69 HB1 ALA 69 52.738 8.131 40.639 543 HB2 ALA 69 HB2 ALA 69 54.173 7.475 39.852 544 HB3 ALA 69 HB3 ALA 69 52.586 7.259 39.114 545 H ASP 70 H ASP 70 52.856 9.049 36.393 546 HA ASP 70 HA ASP 70 55.506 8.005 35.706 547 HB2 ASP 70 HB2 ASP 70 52.981 8.263 34.070 548 HB3 ASP 70 HB3 ASP 70 54.472 7.494 33.527 549 H TRP 71 H TRP 71 54.514 11.074 36.058 550 HA TRP 71 HA TRP 71 54.939 12.437 33.725 551 HB2 TRP 71 HB2 TRP 71 54.261 13.616 35.643 552 HB3 TRP 71 HB3 TRP 71 55.664 13.120 36.556 553 HD1 TRP 71 HD1 TRP 71 57.400 14.915 36.826 554 HE1 TRP 71 HE1 TRP 71 58.064 17.059 35.564 555 HE3 TRP 71 HE3 TRP 71 54.226 14.627 32.827 556 HZ2 TRP 71 HZ2 TRP 71 57.379 18.454 33.173 557 HZ3 TRP 71 HZ3 TRP 71 54.263 16.374 31.074 558 HH2 TRP 71 HH2 TRP 71 55.837 18.287 31.239 559 HA PRO 72 HA PRO 72 59.852 12.321 34.592 560 HB2 PRO 72 HB2 PRO 72 59.737 9.403 35.269 561 HB3 PRO 72 HB3 PRO 72 60.924 10.628 35.760 562 HG2 PRO 72 HG2 PRO 72 59.018 9.801 37.419 563 HG3 PRO 72 HG3 PRO 72 59.575 11.484 37.400 564 HD2 PRO 72 HD2 PRO 72 57.004 10.360 36.458 565 HD3 PRO 72 HD3 PRO 72 57.393 12.015 36.973 566 H GLU 73 H GLU 73 57.882 9.563 33.423 567 HA GLU 73 HA GLU 73 59.721 8.994 31.265 568 HB2 GLU 73 HB2 GLU 73 56.914 8.004 31.821 569 HB3 GLU 73 HB3 GLU 73 57.967 7.391 30.545 570 HG2 GLU 73 HG2 GLU 73 58.613 7.363 33.507 571 HG3 GLU 73 HG3 GLU 73 58.062 5.975 32.577 572 H ILE 74 H ILE 74 56.470 10.405 31.544 573 HA ILE 74 HA ILE 74 56.026 10.799 28.798 574 HB ILE 74 HB ILE 74 54.925 12.308 31.184 575 HG12 ILE 74 HG12 ILE 74 53.738 10.037 29.567 576 HG13 ILE 74 HG13 ILE 74 54.609 9.798 31.077 577 HG21 ILE 74 HG21 ILE 74 53.118 13.008 29.735 578 HG22 ILE 74 HG22 ILE 74 53.769 12.073 28.389 579 HG23 ILE 74 HG23 ILE 74 54.632 13.495 28.976 580 HD11 ILE 74 HD11 ILE 74 51.929 10.132 30.957 581 HD12 ILE 74 HD12 ILE 74 52.420 11.813 31.153 582 HD13 ILE 74 HD13 ILE 74 52.895 10.608 32.349 583 H GLY 75 H GLY 75 57.604 12.842 31.193 584 HA2 GLY 75 HA2 GLY 75 57.696 15.241 29.726 585 HA3 GLY 75 HA3 GLY 75 58.762 14.812 31.053 586 H ARG 76 H ARG 76 59.417 12.330 29.191 587 HA ARG 76 HA ARG 76 61.863 13.326 28.176 588 HB2 ARG 76 HB2 ARG 76 60.334 10.786 27.573 589 HB3 ARG 76 HB3 ARG 76 62.003 11.094 27.086 590 HG2 ARG 76 HG2 ARG 76 62.669 11.376 29.415 591 HG3 ARG 76 HG3 ARG 76 61.002 11.165 29.947 592 HD2 ARG 76 HD2 ARG 76 62.141 9.076 30.264 593 HD3 ARG 76 HD3 ARG 76 61.049 8.878 28.896 594 HE ARG 76 HE ARG 76 63.332 9.590 27.666 595 HH11 ARG 76 HH11 ARG 76 62.765 7.192 30.167 596 HH12 ARG 76 HH12 ARG 76 64.079 6.193 29.646 597 HH21 ARG 76 HH21 ARG 76 65.011 8.262 27.041 598 HH22 ARG 76 HH22 ARG 76 65.335 6.792 27.898 599 H LEU 77 H LEU 77 58.657 13.080 26.764 600 HA LEU 77 HA LEU 77 59.533 13.088 24.047 601 HB2 LEU 77 HB2 LEU 77 56.840 13.718 25.270 602 HB3 LEU 77 HB3 LEU 77 57.138 13.537 23.541 603 HG LEU 77 HG LEU 77 57.990 11.366 25.437 604 HD11 LEU 77 HD11 LEU 77 55.208 11.966 24.437 605 HD12 LEU 77 HD12 LEU 77 55.719 11.539 26.070 606 HD13 LEU 77 HD13 LEU 77 55.709 10.314 24.801 607 HD21 LEU 77 HD21 LEU 77 58.664 11.422 23.004 608 HD22 LEU 77 HD22 LEU 77 56.955 11.297 22.587 609 HD23 LEU 77 HD23 LEU 77 57.747 9.986 23.460 610 HA PRO 78 HA PRO 78 60.170 17.533 23.588 611 HB2 PRO 78 HB2 PRO 78 59.072 17.372 20.849 612 HB3 PRO 78 HB3 PRO 78 60.689 17.843 21.398 613 HG2 PRO 78 HG2 PRO 78 60.151 15.524 20.126 614 HG3 PRO 78 HG3 PRO 78 61.494 15.738 21.260 615 HD2 PRO 78 HD2 PRO 78 58.917 14.316 21.664 616 HD3 PRO 78 HD3 PRO 78 60.498 14.023 22.406 617 H LEU 79 H LEU 79 58.865 19.144 24.276 618 HA LEU 79 HA LEU 79 55.973 18.994 23.670 619 HB2 LEU 79 HB2 LEU 79 56.662 19.064 26.068 620 HB3 LEU 79 HB3 LEU 79 57.384 20.647 25.776 621 HG LEU 79 HG LEU 79 55.112 21.397 24.914 622 HD11 LEU 79 HD11 LEU 79 53.218 19.954 25.903 623 HD12 LEU 79 HD12 LEU 79 54.423 18.670 26.014 624 HD13 LEU 79 HD13 LEU 79 54.004 19.354 24.443 625 HD21 LEU 79 HD21 LEU 79 54.870 20.470 27.764 626 HD22 LEU 79 HD22 LEU 79 54.429 22.026 27.059 627 HD23 LEU 79 HD23 LEU 79 56.126 21.631 27.331 628 H PHE 80 H PHE 80 55.144 20.382 22.246 629 HA PHE 80 HA PHE 80 56.704 22.662 21.283 630 HB2 PHE 80 HB2 PHE 80 53.963 21.637 20.518 631 HB3 PHE 80 HB3 PHE 80 54.792 22.960 19.734 632 HD1 PHE 80 HD1 PHE 80 54.167 19.461 19.747 633 HD2 PHE 80 HD2 PHE 80 57.101 22.394 18.633 634 HE1 PHE 80 HE1 PHE 80 55.158 17.856 18.141 635 HE2 PHE 80 HE2 PHE 80 58.093 20.785 17.027 636 HZ PHE 80 HZ PHE 80 57.110 18.522 16.771 637 H VAL 81 H VAL 81 56.426 24.676 22.134 638 HA VAL 81 HA VAL 81 53.834 25.299 23.439 639 HB VAL 81 HB VAL 81 55.049 26.862 24.879 640 HG11 VAL 81 HG11 VAL 81 54.737 24.547 25.635 641 HG12 VAL 81 HG12 VAL 81 56.286 25.171 26.204 642 HG13 VAL 81 HG13 VAL 81 56.230 24.069 24.828 643 HG21 VAL 81 HG21 VAL 81 56.910 27.286 23.203 644 HG22 VAL 81 HG22 VAL 81 57.583 25.724 23.668 645 HG23 VAL 81 HG23 VAL 81 57.450 27.015 24.857 646 HA PRO 82 HA PRO 82 53.472 28.428 20.388 647 HB2 PRO 82 HB2 PRO 82 51.702 30.145 21.485 648 HB3 PRO 82 HB3 PRO 82 51.250 28.498 20.999 649 HG2 PRO 82 HG2 PRO 82 51.790 29.586 23.702 650 HG3 PRO 82 HG3 PRO 82 50.614 28.367 23.184 651 HD2 PRO 82 HD2 PRO 82 53.065 27.802 24.379 652 HD3 PRO 82 HD3 PRO 82 52.102 26.652 23.431 653 H SER 83 H SER 83 54.697 29.392 23.515 654 HA SER 83 HA SER 83 55.842 31.818 22.353 655 HB2 SER 83 HB2 SER 83 54.839 33.337 23.864 656 HB3 SER 83 HB3 SER 83 53.515 32.332 23.286 657 HG SER 83 HG SER 83 54.888 32.150 25.704 658 HA PRO 84 HA PRO 84 59.225 31.079 25.137 659 HB2 PRO 84 HB2 PRO 84 59.025 33.878 26.135 660 HB3 PRO 84 HB3 PRO 84 60.411 33.026 25.426 661 HG2 PRO 84 HG2 PRO 84 59.070 34.873 24.063 662 HG3 PRO 84 HG3 PRO 84 59.737 33.432 23.274 663 HD2 PRO 84 HD2 PRO 84 56.897 34.037 23.985 664 HD3 PRO 84 HD3 PRO 84 57.546 33.137 22.598 665 H ARG 85 H ARG 85 56.622 33.081 26.550 666 HA ARG 85 HA ARG 85 57.156 32.573 29.250 667 HB2 ARG 85 HB2 ARG 85 55.549 34.278 28.399 668 HB3 ARG 85 HB3 ARG 85 54.434 32.974 27.988 669 HG2 ARG 85 HG2 ARG 85 54.462 32.246 30.374 670 HG3 ARG 85 HG3 ARG 85 55.475 33.639 30.757 671 HD2 ARG 85 HD2 ARG 85 52.705 33.770 29.533 672 HD3 ARG 85 HD3 ARG 85 53.093 34.110 31.217 673 HE ARG 85 HE ARG 85 54.727 35.811 29.900 674 HH11 ARG 85 HH11 ARG 85 51.287 35.200 29.561 675 HH12 ARG 85 HH12 ARG 85 50.951 36.815 29.030 676 HH21 ARG 85 HH21 ARG 85 54.234 37.874 29.213 677 HH22 ARG 85 HH22 ARG 85 52.600 38.309 28.837 678 H VAL 86 H VAL 86 54.962 30.833 27.025 679 HA VAL 86 HA VAL 86 54.136 28.866 28.856 680 HB VAL 86 HB VAL 86 54.455 28.623 25.855 681 HG11 VAL 86 HG11 VAL 86 52.979 26.993 27.930 682 HG12 VAL 86 HG12 VAL 86 54.126 26.428 26.716 683 HG13 VAL 86 HG13 VAL 86 52.519 26.970 26.228 684 HG21 VAL 86 HG21 VAL 86 52.038 29.393 27.518 685 HG22 VAL 86 HG22 VAL 86 52.122 29.319 25.758 686 HG23 VAL 86 HG23 VAL 86 53.044 30.540 26.634 687 H ALA 87 H ALA 87 56.955 29.016 26.711 688 HA ALA 87 HA ALA 87 57.953 26.431 27.075 689 HB1 ALA 87 HB1 ALA 87 59.909 27.223 26.124 690 HB2 ALA 87 HB2 ALA 87 59.833 28.758 26.989 691 HB3 ALA 87 HB3 ALA 87 58.775 28.471 25.607 692 H GLU 88 H GLU 88 58.386 29.349 29.036 693 HA GLU 88 HA GLU 88 60.225 28.303 30.888 694 HB2 GLU 88 HB2 GLU 88 58.093 30.418 31.272 695 HB3 GLU 88 HB3 GLU 88 59.419 30.108 32.393 696 HG2 GLU 88 HG2 GLU 88 59.738 30.890 29.482 697 HG3 GLU 88 HG3 GLU 88 59.936 31.979 30.850 698 H MET 89 H MET 89 56.676 28.281 30.859 699 HA MET 89 HA MET 89 56.230 27.164 33.390 700 HB2 MET 89 HB2 MET 89 54.688 26.763 30.811 701 HB3 MET 89 HB3 MET 89 54.091 26.339 32.411 702 HG2 MET 89 HG2 MET 89 54.909 29.126 31.536 703 HG3 MET 89 HG3 MET 89 53.248 28.551 31.663 704 HE1 MET 89 HE1 MET 89 52.223 27.610 33.548 705 HE2 MET 89 HE2 MET 89 52.480 28.063 35.232 706 HE3 MET 89 HE3 MET 89 53.411 26.743 34.530 707 H ALA 90 H ALA 90 56.771 25.602 30.259 708 HA ALA 90 HA ALA 90 56.462 22.939 31.122 709 HB1 ALA 90 HB1 ALA 90 57.417 22.302 29.047 710 HB2 ALA 90 HB2 ALA 90 58.328 23.807 28.917 711 HB3 ALA 90 HB3 ALA 90 56.574 23.818 28.725 712 H ARG 91 H ARG 91 59.319 25.030 30.979 713 HA ARG 91 HA ARG 91 61.233 23.077 31.637 714 HB2 ARG 91 HB2 ARG 91 61.759 25.351 30.759 715 HB3 ARG 91 HB3 ARG 91 61.312 26.026 32.325 716 HG2 ARG 91 HG2 ARG 91 63.045 24.613 33.408 717 HG3 ARG 91 HG3 ARG 91 63.521 24.009 31.820 718 HD2 ARG 91 HD2 ARG 91 63.998 26.359 31.118 719 HD3 ARG 91 HD3 ARG 91 63.637 26.888 32.759 720 HE ARG 91 HE ARG 91 65.521 25.047 33.222 721 HH11 ARG 91 HH11 ARG 91 65.466 27.621 30.836 722 HH12 ARG 91 HH12 ARG 91 67.190 27.782 30.823 723 HH21 ARG 91 HH21 ARG 91 67.736 25.299 33.163 724 HH22 ARG 91 HH22 ARG 91 68.459 26.483 32.125 725 H GLU 92 H GLU 92 59.313 25.243 33.706 726 HA GLU 92 HA GLU 92 60.573 24.609 36.138 727 HB2 GLU 92 HB2 GLU 92 57.730 25.482 35.590 728 HB3 GLU 92 HB3 GLU 92 58.459 25.414 37.194 729 HG2 GLU 92 HG2 GLU 92 60.242 26.965 36.422 730 HG3 GLU 92 HG3 GLU 92 59.443 27.078 34.862 731 H LEU 93 H LEU 93 57.894 23.028 34.439 732 HA LEU 93 HA LEU 93 57.280 21.169 36.486 733 HB2 LEU 93 HB2 LEU 93 56.950 20.831 33.500 734 HB3 LEU 93 HB3 LEU 93 56.188 19.842 34.736 735 HG LEU 93 HG LEU 93 55.743 22.813 34.304 736 HD11 LEU 93 HD11 LEU 93 54.665 21.425 32.611 737 HD12 LEU 93 HD12 LEU 93 53.437 22.019 33.731 738 HD13 LEU 93 HD13 LEU 93 54.020 20.358 33.859 739 HD21 LEU 93 HD21 LEU 93 55.491 22.397 36.658 740 HD22 LEU 93 HD22 LEU 93 54.674 20.862 36.365 741 HD23 LEU 93 HD23 LEU 93 53.861 22.380 35.986 742 H GLY 94 H GLY 94 59.954 21.263 34.265 743 HA2 GLY 94 HA2 GLY 94 61.845 19.826 34.678 744 HA3 GLY 94 HA3 GLY 94 60.734 18.556 35.154 745 H ALA 95 H ALA 95 59.768 20.274 32.286 746 HA ALA 95 HA ALA 95 59.762 17.937 30.721 747 HB1 ALA 95 HB1 ALA 95 58.611 20.322 30.419 748 HB2 ALA 95 HB2 ALA 95 58.906 19.258 29.044 749 HB3 ALA 95 HB3 ALA 95 60.010 20.591 29.382 750 H GLN 96 H GLN 96 61.326 16.898 29.680 751 HA GLN 96 HA GLN 96 64.027 17.660 30.186 752 HB2 GLN 96 HB2 GLN 96 62.884 15.442 28.472 753 HB3 GLN 96 HB3 GLN 96 64.579 15.594 28.946 754 HG2 GLN 96 HG2 GLN 96 63.913 15.529 31.329 755 HG3 GLN 96 HG3 GLN 96 62.230 15.338 30.848 756 HE21 GLN 96 HE21 GLN 96 62.303 13.230 32.052 757 HE22 GLN 96 HE22 GLN 96 62.982 11.872 31.304 758 H ARG 97 H ARG 97 61.936 17.752 27.338 759 HA ARG 97 HA ARG 97 63.966 19.448 26.014 760 HB2 ARG 97 HB2 ARG 97 63.971 17.173 25.011 761 HB3 ARG 97 HB3 ARG 97 62.259 17.363 24.631 762 HG2 ARG 97 HG2 ARG 97 62.782 19.351 23.266 763 HG3 ARG 97 HG3 ARG 97 64.498 19.145 23.622 764 HD2 ARG 97 HD2 ARG 97 64.382 16.866 22.598 765 HD3 ARG 97 HD3 ARG 97 62.711 17.193 22.149 766 HE ARG 97 HE ARG 97 63.483 18.533 20.429 767 HH11 ARG 97 HH11 ARG 97 66.141 17.966 22.650 768 HH12 ARG 97 HH12 ARG 97 67.305 18.708 21.603 769 HH21 ARG 97 HH21 ARG 97 65.025 19.477 19.124 770 HH22 ARG 97 HH22 ARG 97 66.679 19.553 19.632 771 H VAL 98 H VAL 98 63.144 21.412 25.755 772 HA VAL 98 HA VAL 98 60.230 21.696 25.276 773 HB VAL 98 HB VAL 98 62.134 23.701 26.516 774 HG11 VAL 98 HG11 VAL 98 60.190 24.654 25.263 775 HG12 VAL 98 HG12 VAL 98 60.114 24.978 26.995 776 HG13 VAL 98 HG13 VAL 98 59.109 23.712 26.289 777 HG21 VAL 98 HG21 VAL 98 61.652 21.684 27.944 778 HG22 VAL 98 HG22 VAL 98 59.934 22.064 27.823 779 HG23 VAL 98 HG23 VAL 98 61.031 23.186 28.626 780 H ILE 99 H ILE 99 59.600 22.606 23.433 781 HA ILE 99 HA ILE 99 61.646 23.845 21.688 782 HB ILE 99 HB ILE 99 59.275 22.104 20.961 783 HG12 ILE 99 HG12 ILE 99 62.238 21.603 20.578 784 HG13 ILE 99 HG13 ILE 99 61.323 20.998 21.958 785 HG21 ILE 99 HG21 ILE 99 59.370 23.401 19.079 786 HG22 ILE 99 HG22 ILE 99 60.667 22.285 18.656 787 HG23 ILE 99 HG23 ILE 99 61.050 23.864 19.339 788 HD11 ILE 99 HD11 ILE 99 61.513 19.308 20.136 789 HD12 ILE 99 HD12 ILE 99 60.658 20.411 19.058 790 HD13 ILE 99 HD13 ILE 99 59.839 19.747 20.472 791 H ASP 100 H ASP 100 61.263 25.931 21.276 792 HA ASP 100 HA ASP 100 58.559 27.015 21.591 793 HB2 ASP 100 HB2 ASP 100 60.519 28.232 22.540 794 HB3 ASP 100 HB3 ASP 100 61.142 28.441 20.905 795 H CYS 101 H CYS 101 57.231 26.958 19.881 796 HA CYS 101 HA CYS 101 58.290 26.539 17.219 797 HB2 CYS 101 HB2 CYS 101 55.963 26.320 16.540 798 HB3 CYS 101 HB3 CYS 101 56.274 25.356 17.984 799 HG CYS 101 HG CYS 101 55.309 27.736 19.197 800 H ARG 102 H ARG 102 57.479 29.328 19.044 801 HA ARG 102 HA ARG 102 56.383 31.046 17.146 802 HB2 ARG 102 HB2 ARG 102 56.700 31.572 19.562 803 HB3 ARG 102 HB3 ARG 102 58.425 31.777 19.257 804 HG2 ARG 102 HG2 ARG 102 57.961 33.580 17.669 805 HG3 ARG 102 HG3 ARG 102 56.225 33.347 17.881 806 HD2 ARG 102 HD2 ARG 102 56.876 35.202 19.275 807 HD3 ARG 102 HD3 ARG 102 56.539 33.835 20.333 808 HE ARG 102 HE ARG 102 59.204 33.606 19.901 809 HH11 ARG 102 HH11 ARG 102 57.241 36.328 20.929 810 HH12 ARG 102 HH12 ARG 102 58.528 37.038 21.845 811 HH21 ARG 102 HH21 ARG 102 60.822 34.567 21.097 812 HH22 ARG 102 HH22 ARG 102 60.530 36.052 21.938 813 H GLY 103 H GLY 103 59.764 30.132 17.676 814 HA2 GLY 103 HA2 GLY 103 60.670 31.895 15.533 815 HA3 GLY 103 HA3 GLY 103 61.687 30.892 16.560 816 H ALA 104 H ALA 104 60.167 28.445 16.126 817 HA ALA 104 HA ALA 104 61.306 27.757 13.520 818 HB1 ALA 104 HB1 ALA 104 60.540 25.397 14.347 819 HB2 ALA 104 HB2 ALA 104 60.386 26.197 15.912 820 HB3 ALA 104 HB3 ALA 104 61.946 26.162 15.089 821 H SER 105 H SER 105 60.098 27.669 11.750 822 HA SER 105 HA SER 105 57.292 28.072 11.752 823 HB2 SER 105 HB2 SER 105 59.069 27.001 9.545 824 HB3 SER 105 HB3 SER 105 57.432 27.617 9.343 825 HG SER 105 HG SER 105 58.225 29.550 9.508 826 H ALA 106 H ALA 106 55.687 26.575 10.813 827 HA ALA 106 HA ALA 106 55.401 24.236 12.211 828 HB1 ALA 106 HB1 ALA 106 53.679 25.467 10.790 829 HB2 ALA 106 HB2 ALA 106 53.582 23.707 10.828 830 HB3 ALA 106 HB3 ALA 106 54.284 24.521 9.433 831 HA PRO 107 HA PRO 107 57.082 21.520 8.575 832 HB2 PRO 107 HB2 PRO 107 59.107 22.764 7.095 833 HB3 PRO 107 HB3 PRO 107 57.454 22.453 6.535 834 HG2 PRO 107 HG2 PRO 107 58.651 24.943 7.591 835 HG3 PRO 107 HG3 PRO 107 57.416 24.718 6.341 836 HD2 PRO 107 HD2 PRO 107 56.786 25.569 8.806 837 HD3 PRO 107 HD3 PRO 107 55.688 24.531 7.876 838 H ALA 108 H ALA 108 59.125 24.039 9.995 839 HA ALA 108 HA ALA 108 61.440 22.494 10.433 840 HB1 ALA 108 HB1 ALA 108 60.478 24.610 12.349 841 HB2 ALA 108 HB2 ALA 108 61.087 25.033 10.749 842 HB3 ALA 108 HB3 ALA 108 62.135 24.202 11.901 843 H LEU 109 H LEU 109 58.532 22.973 12.408 844 HA LEU 109 HA LEU 109 59.316 21.505 14.663 845 HB2 LEU 109 HB2 LEU 109 56.536 21.741 13.484 846 HB3 LEU 109 HB3 LEU 109 56.927 21.289 15.142 847 HG LEU 109 HG LEU 109 57.631 23.941 13.850 848 HD11 LEU 109 HD11 LEU 109 55.152 23.356 14.423 849 HD12 LEU 109 HD12 LEU 109 55.811 24.889 14.992 850 HD13 LEU 109 HD13 LEU 109 55.674 23.525 16.099 851 HD21 LEU 109 HD21 LEU 109 57.961 24.469 16.396 852 HD22 LEU 109 HD22 LEU 109 59.241 23.619 15.530 853 HD23 LEU 109 HD23 LEU 109 58.128 22.721 16.560 854 H LEU 110 H LEU 110 57.801 20.455 11.635 855 HA LEU 110 HA LEU 110 57.347 17.761 12.267 856 HB2 LEU 110 HB2 LEU 110 56.552 18.877 10.198 857 HB3 LEU 110 HB3 LEU 110 58.209 18.914 9.601 858 HG LEU 110 HG LEU 110 58.263 16.399 9.848 859 HD11 LEU 110 HD11 LEU 110 55.340 16.913 10.436 860 HD12 LEU 110 HD12 LEU 110 56.499 16.017 11.419 861 HD13 LEU 110 HD13 LEU 110 55.937 15.347 9.887 862 HD21 LEU 110 HD21 LEU 110 56.536 16.100 7.888 863 HD22 LEU 110 HD22 LEU 110 57.971 17.094 7.633 864 HD23 LEU 110 HD23 LEU 110 56.418 17.857 7.974 865 H ALA 111 H ALA 111 60.217 19.350 10.932 866 HA ALA 111 HA ALA 111 61.849 17.076 10.680 867 HB1 ALA 111 HB1 ALA 111 62.677 19.915 11.331 868 HB2 ALA 111 HB2 ALA 111 62.425 19.265 9.711 869 HB3 ALA 111 HB3 ALA 111 63.736 18.645 10.715 870 H ALA 112 H ALA 112 61.256 19.215 13.436 871 HA ALA 112 HA ALA 112 63.240 18.224 15.154 872 HB1 ALA 112 HB1 ALA 112 61.910 19.194 16.964 873 HB2 ALA 112 HB2 ALA 112 60.515 19.319 15.892 874 HB3 ALA 112 HB3 ALA 112 61.954 20.290 15.583 875 H LEU 113 H LEU 113 59.903 17.142 14.607 876 HA LEU 113 HA LEU 113 59.751 15.247 16.674 877 HB2 LEU 113 HB2 LEU 113 58.378 15.653 14.055 878 HB3 LEU 113 HB3 LEU 113 58.191 14.078 14.820 879 HG LEU 113 HG LEU 113 57.788 16.559 16.466 880 HD11 LEU 113 HD11 LEU 113 55.710 15.307 14.640 881 HD12 LEU 113 HD12 LEU 113 56.427 16.905 14.430 882 HD13 LEU 113 HD13 LEU 113 55.404 16.575 15.827 883 HD21 LEU 113 HD21 LEU 113 55.968 14.872 17.350 884 HD22 LEU 113 HD22 LEU 113 57.661 14.619 17.775 885 HD23 LEU 113 HD23 LEU 113 56.927 13.675 16.478 886 H THR 114 H THR 114 60.762 14.856 13.295 887 HA THR 114 HA THR 114 61.221 12.071 13.486 888 HB THR 114 HB THR 114 62.428 12.311 11.361 889 HG1 THR 114 HG1 THR 114 63.359 14.126 11.040 890 HG21 THR 114 HG21 THR 114 59.825 12.592 11.696 891 HG22 THR 114 HG22 THR 114 60.553 12.916 10.123 892 HG23 THR 114 HG23 THR 114 60.147 14.252 11.199 893 H SER 115 H SER 115 63.406 14.834 13.921 894 HA SER 115 HA SER 115 65.776 13.310 14.207 895 HB2 SER 115 HB2 SER 115 66.757 15.334 15.099 896 HB3 SER 115 HB3 SER 115 65.695 15.762 13.762 897 HG SER 115 HG SER 115 65.542 16.477 16.304 898 H ALA 116 H ALA 116 63.362 14.421 16.548 899 HA ALA 116 HA ALA 116 64.754 13.731 18.890 900 HB1 ALA 116 HB1 ALA 116 61.781 13.869 18.341 901 HB2 ALA 116 HB2 ALA 116 62.798 15.157 18.986 902 HB3 ALA 116 HB3 ALA 116 62.491 13.711 19.947 903 H ALA 117 H ALA 117 62.540 11.853 16.842 904 HA ALA 117 HA ALA 117 62.408 9.540 18.423 905 HB1 ALA 117 HB1 ALA 117 60.932 9.832 16.526 906 HB2 ALA 117 HB2 ALA 117 61.888 8.371 16.277 907 HB3 ALA 117 HB3 ALA 117 62.302 9.854 15.416 908 H LEU 118 H LEU 118 64.781 10.555 15.995 909 HA LEU 118 HA LEU 118 66.310 8.180 15.956 910 HB2 LEU 118 HB2 LEU 118 67.194 11.038 15.488 911 HB3 LEU 118 HB3 LEU 118 68.114 9.600 15.047 912 HG LEU 118 HG LEU 118 65.325 10.212 14.031 913 HD11 LEU 118 HD11 LEU 118 68.072 10.780 12.931 914 HD12 LEU 118 HD12 LEU 118 66.664 11.841 12.992 915 HD13 LEU 118 HD13 LEU 118 66.713 10.507 11.840 916 HD21 LEU 118 HD21 LEU 118 67.348 8.032 13.565 917 HD22 LEU 118 HD22 LEU 118 66.208 8.462 12.290 918 HD23 LEU 118 HD23 LEU 118 65.613 7.892 13.850 919 H GLU 119 H GLU 119 66.359 10.973 18.116 920 HA GLU 119 HA GLU 119 68.806 10.581 19.383 921 HB2 GLU 119 HB2 GLU 119 67.281 12.532 19.717 922 HB3 GLU 119 HB3 GLU 119 66.249 11.502 20.712 923 HG2 GLU 119 HG2 GLU 119 68.195 11.042 22.196 924 HG3 GLU 119 HG3 GLU 119 69.161 12.154 21.238 925 H HIS 120 H HIS 120 65.714 8.954 19.919 926 HA HIS 120 HA HIS 120 67.010 7.232 21.952 927 HB2 HIS 120 HB2 HIS 120 64.093 7.844 21.465 928 HB3 HIS 120 HB3 HIS 120 64.682 6.668 22.625 929 HD1 HIS 120 HD1 HIS 120 64.295 10.338 22.047 930 HD2 HIS 120 HD2 HIS 120 65.866 7.817 24.972 931 HE1 HIS 120 HE1 HIS 120 64.704 11.778 24.087 932 H HIS 121 H HIS 121 67.092 5.065 21.642 933 HA HIS 121 HA HIS 121 65.949 4.005 19.119 934 HB2 HIS 121 HB2 HIS 121 68.406 4.145 19.088 935 HB3 HIS 121 HB3 HIS 121 68.478 3.182 20.551 936 HD1 HIS 121 HD1 HIS 121 68.175 0.645 20.317 937 HD2 HIS 121 HD2 HIS 121 67.688 2.690 16.717 938 HE1 HIS 121 HE1 HIS 121 68.128 -1.112 18.497 939 H HIS 122 H HIS 122 64.663 2.267 19.261 940 HA HIS 122 HA HIS 122 64.397 0.949 21.904 941 HB2 HIS 122 HB2 HIS 122 62.350 1.299 19.710 942 HB3 HIS 122 HB3 HIS 122 62.091 0.430 21.210 943 HD1 HIS 122 HD1 HIS 122 62.472 2.028 23.449 944 HD2 HIS 122 HD2 HIS 122 61.627 3.946 19.844 945 HE1 HIS 122 HE1 HIS 122 61.676 4.355 24.046 946 H HIS 123 H HIS 123 64.804 -1.163 22.025 947 HA HIS 123 HA HIS 123 65.907 -2.631 19.895 948 HB2 HIS 123 HB2 HIS 123 66.266 -3.137 22.289 949 HB3 HIS 123 HB3 HIS 123 64.601 -3.673 22.411 950 HD1 HIS 123 HD1 HIS 123 67.664 -4.518 20.287 951 HD2 HIS 123 HD2 HIS 123 64.391 -6.393 22.062 952 HE1 HIS 123 HE1 HIS 123 67.926 -6.994 19.833 953 H HIS 124 H HIS 124 62.626 -2.549 21.231 954 HA HIS 124 HA HIS 124 61.489 -4.661 19.815 955 HB2 HIS 124 HB2 HIS 124 60.225 -2.034 20.598 956 HB3 HIS 124 HB3 HIS 124 59.349 -3.472 20.111 957 HD1 HIS 124 HD1 HIS 124 59.868 -5.650 21.740 958 HD2 HIS 124 HD2 HIS 124 60.635 -1.865 23.311 959 HE1 HIS 124 HE1 HIS 124 59.978 -5.928 24.254 960 H HIS 125 H HIS 125 62.028 -1.305 18.822 961 HA HIS 125 HA HIS 125 61.642 -2.124 16.032 962 HB2 HIS 125 HB2 HIS 125 60.275 0.277 17.251 963 HB3 HIS 125 HB3 HIS 125 60.236 -0.184 15.561 964 HD1 HIS 125 HD1 HIS 125 59.134 -2.702 15.167 965 HD2 HIS 125 HD2 HIS 125 58.163 -0.715 18.701 966 HE1 HIS 125 HE1 HIS 125 57.045 -3.815 16.061 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 58.865 6.475 10.273 2 H2 MET 1 HT2 MET 1 57.454 6.573 11.213 3 H3 MET 1 HT3 MET 1 58.176 7.988 10.611 4 HA MET 1 HA MET 1 57.770 7.041 8.312 5 HB2 MET 1 HB2 MET 1 55.919 5.320 9.991 6 HB3 MET 1 HB3 MET 1 55.885 5.426 8.230 7 HG2 MET 1 HG2 MET 1 58.289 4.685 8.208 8 HG3 MET 1 HG3 MET 1 58.167 4.411 9.947 9 HE1 MET 1 HE1 MET 1 56.496 2.176 6.430 10 HE2 MET 1 HE2 MET 1 57.068 3.839 6.550 11 HE3 MET 1 HE3 MET 1 55.392 3.459 6.942 12 H ASP 2 H ASP 2 55.144 7.021 10.730 13 HA ASP 2 HA ASP 2 54.205 9.613 9.652 14 HB2 ASP 2 HB2 ASP 2 52.472 7.270 10.470 15 HB3 ASP 2 HB3 ASP 2 51.903 8.832 9.882 16 HA PRO 3 HA PRO 3 55.200 9.726 14.215 17 HB2 PRO 3 HB2 PRO 3 55.297 12.543 14.233 18 HB3 PRO 3 HB3 PRO 3 56.682 11.446 14.108 19 HG2 PRO 3 HG2 PRO 3 55.239 12.909 11.979 20 HG3 PRO 3 HG3 PRO 3 56.961 12.508 12.119 21 HD2 PRO 3 HD2 PRO 3 55.362 11.162 10.436 22 HD3 PRO 3 HD3 PRO 3 56.666 10.335 11.320 23 H LYS 4 H LYS 4 53.902 10.286 15.988 24 HA LYS 4 HA LYS 4 51.194 11.294 15.316 25 HB2 LYS 4 HB2 LYS 4 52.047 9.333 17.461 26 HB3 LYS 4 HB3 LYS 4 50.402 9.917 17.210 27 HG2 LYS 4 HG2 LYS 4 50.480 8.994 14.887 28 HG3 LYS 4 HG3 LYS 4 52.065 8.312 15.247 29 HD2 LYS 4 HD2 LYS 4 51.044 7.067 17.156 30 HD3 LYS 4 HD3 LYS 4 49.462 7.664 16.657 31 HE2 LYS 4 HE2 LYS 4 49.861 5.409 15.752 32 HE3 LYS 4 HE3 LYS 4 49.752 6.594 14.451 33 HZ1 LYS 4 HZ1 LYS 4 51.642 5.007 14.261 34 HZ2 LYS 4 HZ2 LYS 4 52.315 5.711 15.653 35 HZ3 LYS 4 HZ3 LYS 4 52.099 6.641 14.247 36 H VAL 5 H VAL 5 50.345 12.936 16.546 37 HA VAL 5 HA VAL 5 51.761 13.671 19.033 38 HB VAL 5 HB VAL 5 51.350 16.083 18.480 39 HG11 VAL 5 HG11 VAL 5 53.243 16.036 16.656 40 HG12 VAL 5 HG12 VAL 5 53.255 14.305 16.994 41 HG13 VAL 5 HG13 VAL 5 53.581 15.459 18.289 42 HG21 VAL 5 HG21 VAL 5 50.754 14.881 15.760 43 HG22 VAL 5 HG22 VAL 5 51.160 16.579 16.008 44 HG23 VAL 5 HG23 VAL 5 49.697 15.909 16.730 45 H LEU 6 H LEU 6 50.576 14.453 20.670 46 HA LEU 6 HA LEU 6 47.646 14.189 20.410 47 HB2 LEU 6 HB2 LEU 6 48.834 12.772 22.100 48 HB3 LEU 6 HB3 LEU 6 49.322 14.249 22.930 49 HG LEU 6 HG LEU 6 46.791 14.831 22.933 50 HD11 LEU 6 HD11 LEU 6 46.829 11.945 22.100 51 HD12 LEU 6 HD12 LEU 6 45.792 13.254 21.534 52 HD13 LEU 6 HD13 LEU 6 45.517 12.535 23.120 53 HD21 LEU 6 HD21 LEU 6 48.087 14.236 24.948 54 HD22 LEU 6 HD22 LEU 6 47.858 12.524 24.595 55 HD23 LEU 6 HD23 LEU 6 46.472 13.531 25.013 56 H ILE 7 H ILE 7 46.304 15.881 20.860 57 HA ILE 7 HA ILE 7 47.599 18.493 21.289 58 HB ILE 7 HB ILE 7 44.776 17.936 20.349 59 HG12 ILE 7 HG12 ILE 7 47.125 18.799 18.647 60 HG13 ILE 7 HG13 ILE 7 46.646 17.109 18.798 61 HG21 ILE 7 HG21 ILE 7 44.989 20.314 19.541 62 HG22 ILE 7 HG22 ILE 7 46.521 20.415 20.409 63 HG23 ILE 7 HG23 ILE 7 45.021 20.152 21.298 64 HD11 ILE 7 HD11 ILE 7 45.656 18.581 16.849 65 HD12 ILE 7 HD12 ILE 7 44.554 19.147 18.100 66 HD13 ILE 7 HD13 ILE 7 44.625 17.432 17.701 67 H MET 8 H MET 8 47.309 19.608 23.081 68 HA MET 8 HA MET 8 45.306 18.804 25.059 69 HB2 MET 8 HB2 MET 8 47.556 20.835 25.099 70 HB3 MET 8 HB3 MET 8 46.471 20.550 26.453 71 HG2 MET 8 HG2 MET 8 48.234 18.446 25.158 72 HG3 MET 8 HG3 MET 8 48.606 19.279 26.663 73 HE1 MET 8 HE1 MET 8 47.496 18.826 28.946 74 HE2 MET 8 HE2 MET 8 45.918 18.074 29.131 75 HE3 MET 8 HE3 MET 8 46.066 19.581 28.239 76 H ARG 9 H ARG 9 43.481 19.992 25.465 77 HA ARG 9 HA ARG 9 42.466 21.689 23.480 78 HB2 ARG 9 HB2 ARG 9 41.095 20.442 25.161 79 HB3 ARG 9 HB3 ARG 9 41.603 21.615 26.376 80 HG2 ARG 9 HG2 ARG 9 40.628 23.441 25.054 81 HG3 ARG 9 HG3 ARG 9 40.137 22.289 23.811 82 HD2 ARG 9 HD2 ARG 9 38.215 22.697 25.207 83 HD3 ARG 9 HD3 ARG 9 38.802 21.078 25.575 84 HE ARG 9 HE ARG 9 39.843 23.204 27.270 85 HH11 ARG 9 HH11 ARG 9 37.389 20.721 26.906 86 HH12 ARG 9 HH12 ARG 9 37.053 20.664 28.604 87 HH21 ARG 9 HH21 ARG 9 39.367 23.087 29.445 88 HH22 ARG 9 HH22 ARG 9 38.159 21.987 30.022 89 H GLY 10 H GLY 10 42.234 23.895 23.311 90 HA2 GLY 10 HA2 GLY 10 43.238 25.702 25.327 91 HA3 GLY 10 HA3 GLY 10 44.272 25.584 23.907 92 H GLU 11 H GLU 11 43.334 28.012 24.314 93 HA GLU 11 HA GLU 11 40.792 28.727 23.447 94 HB2 GLU 11 HB2 GLU 11 42.483 30.268 24.448 95 HB3 GLU 11 HB3 GLU 11 43.342 30.263 22.906 96 HG2 GLU 11 HG2 GLU 11 41.271 31.077 21.788 97 HG3 GLU 11 HG3 GLU 11 40.483 31.163 23.357 98 H GLY 12 H GLY 12 43.645 27.892 21.535 99 HA2 GLY 12 HA2 GLY 12 42.717 28.780 19.021 100 HA3 GLY 12 HA3 GLY 12 43.916 27.514 19.279 101 H GLY 13 H GLY 13 42.070 27.354 17.203 102 HA2 GLY 13 HA2 GLY 13 39.853 25.669 18.039 103 HA3 GLY 13 HA3 GLY 13 40.227 26.167 16.392 104 H ARG 14 H ARG 14 39.816 23.506 18.038 105 HA ARG 14 HA ARG 14 42.136 21.949 17.872 106 HB2 ARG 14 HB2 ARG 14 39.260 21.079 17.481 107 HB3 ARG 14 HB3 ARG 14 40.613 20.010 17.840 108 HG2 ARG 14 HG2 ARG 14 40.992 21.246 19.966 109 HG3 ARG 14 HG3 ARG 14 39.570 22.234 19.617 110 HD2 ARG 14 HD2 ARG 14 38.243 20.083 19.446 111 HD3 ARG 14 HD3 ARG 14 39.660 19.244 20.068 112 HE ARG 14 HE ARG 14 39.289 21.148 21.934 113 HH11 ARG 14 HH11 ARG 14 37.011 18.908 20.474 114 HH12 ARG 14 HH12 ARG 14 35.995 18.872 21.876 115 HH21 ARG 14 HH21 ARG 14 37.937 21.060 23.707 116 HH22 ARG 14 HH22 ARG 14 36.513 20.073 23.683 117 H GLU 15 H GLU 15 39.600 22.569 15.471 118 HA GLU 15 HA GLU 15 40.456 20.681 13.561 119 HB2 GLU 15 HB2 GLU 15 38.230 21.812 13.582 120 HB3 GLU 15 HB3 GLU 15 39.020 23.289 13.028 121 HG2 GLU 15 HG2 GLU 15 39.885 22.048 11.051 122 HG3 GLU 15 HG3 GLU 15 39.000 20.625 11.584 123 H PHE 16 H PHE 16 41.288 24.114 13.992 124 HA PHE 16 HA PHE 16 42.646 24.433 11.545 125 HB2 PHE 16 HB2 PHE 16 42.935 25.853 14.187 126 HB3 PHE 16 HB3 PHE 16 43.788 26.342 12.734 127 HD1 PHE 16 HD1 PHE 16 40.575 26.255 14.479 128 HD2 PHE 16 HD2 PHE 16 42.552 27.265 10.801 129 HE1 PHE 16 HE1 PHE 16 38.601 27.586 13.784 130 HE2 PHE 16 HE2 PHE 16 40.577 28.596 10.106 131 HZ PHE 16 HZ PHE 16 38.603 28.756 11.598 132 H LEU 17 H LEU 17 44.003 23.833 14.808 133 HA LEU 17 HA LEU 17 46.685 23.710 13.946 134 HB2 LEU 17 HB2 LEU 17 45.419 22.349 16.339 135 HB3 LEU 17 HB3 LEU 17 47.141 22.652 16.112 136 HG LEU 17 HG LEU 17 45.016 24.813 16.219 137 HD11 LEU 17 HD11 LEU 17 45.951 25.320 18.440 138 HD12 LEU 17 HD12 LEU 17 47.061 23.958 18.291 139 HD13 LEU 17 HD13 LEU 17 45.324 23.671 18.395 140 HD21 LEU 17 HD21 LEU 17 46.829 25.670 14.968 141 HD22 LEU 17 HD22 LEU 17 48.020 24.796 15.931 142 HD23 LEU 17 HD23 LEU 17 47.186 26.190 16.614 143 H ALA 18 H ALA 18 44.269 21.139 14.392 144 HA ALA 18 HA ALA 18 46.011 18.983 13.899 145 HB1 ALA 18 HB1 ALA 18 43.936 18.431 14.886 146 HB2 ALA 18 HB2 ALA 18 43.812 17.802 13.244 147 HB3 ALA 18 HB3 ALA 18 43.024 19.320 13.666 148 H GLU 19 H GLU 19 44.073 20.978 11.704 149 HA GLU 19 HA GLU 19 44.394 19.409 9.398 150 HB2 GLU 19 HB2 GLU 19 42.795 21.321 9.646 151 HB3 GLU 19 HB3 GLU 19 44.166 22.424 9.518 152 HG2 GLU 19 HG2 GLU 19 44.732 21.414 7.313 153 HG3 GLU 19 HG3 GLU 19 43.300 20.402 7.433 154 H ARG 20 H ARG 20 46.379 22.045 10.730 155 HA ARG 20 HA ARG 20 48.172 22.232 8.572 156 HB2 ARG 20 HB2 ARG 20 47.995 23.878 10.435 157 HB3 ARG 20 HB3 ARG 20 48.785 22.715 11.497 158 HG2 ARG 20 HG2 ARG 20 50.540 24.123 10.752 159 HG3 ARG 20 HG3 ARG 20 50.684 22.678 9.753 160 HD2 ARG 20 HD2 ARG 20 49.396 23.810 7.958 161 HD3 ARG 20 HD3 ARG 20 49.304 25.257 8.955 162 HE ARG 20 HE ARG 20 51.654 24.235 7.553 163 HH11 ARG 20 HH11 ARG 20 50.418 26.542 9.897 164 HH12 ARG 20 HH12 ARG 20 51.789 27.586 9.737 165 HH21 ARG 20 HH21 ARG 20 53.391 25.620 7.393 166 HH22 ARG 20 HH22 ARG 20 53.451 27.070 8.340 167 H LEU 21 H LEU 21 48.490 20.361 11.615 168 HA LEU 21 HA LEU 21 50.985 19.218 10.942 169 HB2 LEU 21 HB2 LEU 21 48.816 18.339 12.845 170 HB3 LEU 21 HB3 LEU 21 50.343 17.474 12.676 171 HG LEU 21 HG LEU 21 50.221 20.442 13.240 172 HD11 LEU 21 HD11 LEU 21 49.210 19.650 15.180 173 HD12 LEU 21 HD12 LEU 21 50.912 19.522 15.622 174 HD13 LEU 21 HD13 LEU 21 50.027 18.091 15.095 175 HD21 LEU 21 HD21 LEU 21 52.388 19.954 12.533 176 HD22 LEU 21 HD22 LEU 21 52.335 18.309 13.164 177 HD23 LEU 21 HD23 LEU 21 52.541 19.668 14.267 178 H ARG 22 H ARG 22 47.671 18.168 10.282 179 HA ARG 22 HA ARG 22 48.277 15.583 9.339 180 HB2 ARG 22 HB2 ARG 22 45.994 16.403 9.919 181 HB3 ARG 22 HB3 ARG 22 46.013 17.381 8.451 182 HG2 ARG 22 HG2 ARG 22 46.268 15.383 7.073 183 HG3 ARG 22 HG3 ARG 22 46.374 14.371 8.515 184 HD2 ARG 22 HD2 ARG 22 44.112 14.220 7.700 185 HD3 ARG 22 HD3 ARG 22 44.084 15.198 9.164 186 HE ARG 22 HE ARG 22 44.314 17.096 7.297 187 HH11 ARG 22 HH11 ARG 22 42.187 14.304 7.373 188 HH12 ARG 22 HH12 ARG 22 40.958 15.091 6.440 189 HH21 ARG 22 HH21 ARG 22 42.695 18.057 6.100 190 HH22 ARG 22 HH22 ARG 22 41.243 17.189 5.729 191 H GLY 23 H GLY 23 48.046 18.700 7.650 192 HA2 GLY 23 HA2 GLY 23 48.367 17.759 5.032 193 HA3 GLY 23 HA3 GLY 23 48.812 19.367 5.586 194 H GLN 24 H GLN 24 50.764 18.372 7.548 195 HA GLN 24 HA GLN 24 52.970 17.951 5.705 196 HB2 GLN 24 HB2 GLN 24 52.900 18.385 8.689 197 HB3 GLN 24 HB3 GLN 24 54.380 18.220 7.741 198 HG2 GLN 24 HG2 GLN 24 53.749 20.148 6.369 199 HG3 GLN 24 HG3 GLN 24 52.231 20.299 7.249 200 HE21 GLN 24 HE21 GLN 24 54.185 22.415 7.143 201 HE22 GLN 24 HE22 GLN 24 54.793 22.641 8.710 202 H GLY 25 H GLY 25 50.930 15.719 6.877 203 HA2 GLY 25 HA2 GLY 25 51.243 13.419 6.514 204 HA3 GLY 25 HA3 GLY 25 52.979 13.663 6.584 205 H VAL 26 H VAL 26 51.297 15.131 9.204 206 HA VAL 26 HA VAL 26 52.194 12.962 10.980 207 HB VAL 26 HB VAL 26 51.336 15.784 11.674 208 HG11 VAL 26 HG11 VAL 26 52.271 15.307 13.860 209 HG12 VAL 26 HG12 VAL 26 52.833 13.724 13.321 210 HG13 VAL 26 HG13 VAL 26 51.104 14.041 13.475 211 HG21 VAL 26 HG21 VAL 26 53.849 16.011 12.123 212 HG22 VAL 26 HG22 VAL 26 53.364 15.967 10.428 213 HG23 VAL 26 HG23 VAL 26 54.045 14.529 11.187 214 H GLN 27 H GLN 27 50.797 11.842 12.264 215 HA GLN 27 HA GLN 27 47.950 12.078 11.689 216 HB2 GLN 27 HB2 GLN 27 49.413 10.215 13.574 217 HB3 GLN 27 HB3 GLN 27 47.732 10.069 13.071 218 HG2 GLN 27 HG2 GLN 27 48.512 9.864 10.702 219 HG3 GLN 27 HG3 GLN 27 50.174 9.853 11.291 220 HE21 GLN 27 HE21 GLN 27 50.964 7.912 12.302 221 HE22 GLN 27 HE22 GLN 27 50.047 6.486 12.368 222 H VAL 28 H VAL 28 46.436 12.925 13.080 223 HA VAL 28 HA VAL 28 47.518 14.180 15.548 224 HB VAL 28 HB VAL 28 45.346 15.303 13.769 225 HG11 VAL 28 HG11 VAL 28 45.701 17.319 15.134 226 HG12 VAL 28 HG12 VAL 28 46.942 16.482 16.062 227 HG13 VAL 28 HG13 VAL 28 45.263 15.952 16.155 228 HG21 VAL 28 HG21 VAL 28 47.232 17.067 13.374 229 HG22 VAL 28 HG22 VAL 28 47.277 15.567 12.448 230 HG23 VAL 28 HG23 VAL 28 48.325 15.768 13.854 231 H ASP 29 H ASP 29 46.517 13.765 17.380 232 HA ASP 29 HA ASP 29 43.640 13.120 17.338 233 HB2 ASP 29 HB2 ASP 29 44.972 11.016 17.611 234 HB3 ASP 29 HB3 ASP 29 45.675 11.701 19.074 235 H TYR 30 H TYR 30 42.484 14.170 18.927 236 HA TYR 30 HA TYR 30 44.059 15.828 20.819 237 HB2 TYR 30 HB2 TYR 30 42.214 17.432 20.732 238 HB3 TYR 30 HB3 TYR 30 42.939 17.181 19.158 239 HD1 TYR 30 HD1 TYR 30 39.918 17.042 21.128 240 HD2 TYR 30 HD2 TYR 30 41.746 15.700 17.480 241 HE1 TYR 30 HE1 TYR 30 37.679 16.507 20.203 242 HE2 TYR 30 HE2 TYR 30 39.507 15.166 16.554 243 HH TYR 30 HH TYR 30 37.216 14.654 17.516 244 H LEU 31 H LEU 31 43.452 15.918 22.950 245 HA LEU 31 HA LEU 31 41.468 13.886 23.793 246 HB2 LEU 31 HB2 LEU 31 43.824 13.280 24.232 247 HB3 LEU 31 HB3 LEU 31 43.997 14.737 25.208 248 HG LEU 31 HG LEU 31 42.015 13.868 26.588 249 HD11 LEU 31 HD11 LEU 31 42.641 11.479 24.857 250 HD12 LEU 31 HD12 LEU 31 41.068 12.183 25.233 251 HD13 LEU 31 HD13 LEU 31 41.949 11.279 26.467 252 HD21 LEU 31 HD21 LEU 31 44.490 12.123 26.603 253 HD22 LEU 31 HD22 LEU 31 43.460 12.535 27.974 254 HD23 LEU 31 HD23 LEU 31 44.470 13.774 27.225 255 HA PRO 32 HA PRO 32 39.648 17.694 25.706 256 HB2 PRO 32 HB2 PRO 32 37.919 15.608 26.955 257 HB3 PRO 32 HB3 PRO 32 37.462 17.137 26.177 258 HG2 PRO 32 HG2 PRO 32 37.100 14.804 24.961 259 HG3 PRO 32 HG3 PRO 32 37.577 16.257 24.064 260 HD2 PRO 32 HD2 PRO 32 39.228 13.885 24.807 261 HD3 PRO 32 HD3 PRO 32 39.344 14.944 23.385 262 H LEU 33 H LEU 33 40.195 18.602 27.632 263 HA LEU 33 HA LEU 33 42.068 17.289 29.275 264 HB2 LEU 33 HB2 LEU 33 40.517 19.788 29.955 265 HB3 LEU 33 HB3 LEU 33 42.055 19.278 30.642 266 HG LEU 33 HG LEU 33 41.547 20.038 27.753 267 HD11 LEU 33 HD11 LEU 33 42.044 22.140 28.355 268 HD12 LEU 33 HD12 LEU 33 43.604 21.635 28.990 269 HD13 LEU 33 HD13 LEU 33 42.189 21.659 30.036 270 HD21 LEU 33 HD21 LEU 33 44.055 19.068 29.145 271 HD22 LEU 33 HD22 LEU 33 44.057 19.835 27.557 272 HD23 LEU 33 HD23 LEU 33 43.218 18.301 27.793 273 H ASP 34 H ASP 34 38.711 16.910 29.344 274 HA ASP 34 HA ASP 34 38.379 16.735 32.195 275 HB2 ASP 34 HB2 ASP 34 36.628 15.828 29.910 276 HB3 ASP 34 HB3 ASP 34 36.156 15.785 31.606 277 H TYR 35 H TYR 35 39.819 14.578 29.978 278 HA TYR 35 HA TYR 35 38.817 12.106 30.847 279 HB2 TYR 35 HB2 TYR 35 41.290 13.031 29.477 280 HB3 TYR 35 HB3 TYR 35 41.303 11.413 30.151 281 HD1 TYR 35 HD1 TYR 35 40.488 9.645 28.872 282 HD2 TYR 35 HD2 TYR 35 39.207 13.649 27.991 283 HE1 TYR 35 HE1 TYR 35 39.269 8.815 26.879 284 HE2 TYR 35 HE2 TYR 35 37.988 12.820 25.996 285 HH TYR 35 HH TYR 35 38.468 9.902 24.656 286 HA PRO 36 HA PRO 36 40.670 11.882 34.875 287 HB2 PRO 36 HB2 PRO 36 40.613 9.232 35.402 288 HB3 PRO 36 HB3 PRO 36 39.130 10.205 35.297 289 HG2 PRO 36 HG2 PRO 36 40.326 8.362 33.293 290 HG3 PRO 36 HG3 PRO 36 38.625 8.620 33.720 291 HD2 PRO 36 HD2 PRO 36 39.834 9.736 31.504 292 HD3 PRO 36 HD3 PRO 36 38.398 10.407 32.301 293 H ALA 37 H ALA 37 42.566 11.326 36.035 294 HA ALA 37 HA ALA 37 44.955 11.315 34.622 295 HB1 ALA 37 HB1 ALA 37 44.714 11.951 37.011 296 HB2 ALA 37 HB2 ALA 37 46.043 10.824 36.741 297 HB3 ALA 37 HB3 ALA 37 44.521 10.246 37.419 298 H GLY 38 H GLY 38 46.574 9.722 34.299 299 HA2 GLY 38 HA2 GLY 38 47.356 7.490 34.152 300 HA3 GLY 38 HA3 GLY 38 45.718 6.921 34.456 301 H GLU 39 H GLU 39 44.420 8.616 32.485 302 HA GLU 39 HA GLU 39 44.572 6.877 30.275 303 HB2 GLU 39 HB2 GLU 39 43.429 9.668 30.488 304 HB3 GLU 39 HB3 GLU 39 43.184 8.592 29.112 305 HG2 GLU 39 HG2 GLU 39 42.417 7.968 31.978 306 HG3 GLU 39 HG3 GLU 39 41.302 8.469 30.713 307 H LEU 40 H LEU 40 46.153 9.974 30.923 308 HA LEU 40 HA LEU 40 47.073 10.524 28.324 309 HB2 LEU 40 HB2 LEU 40 47.168 12.112 30.240 310 HB3 LEU 40 HB3 LEU 40 48.464 11.144 30.941 311 HG LEU 40 HG LEU 40 49.714 11.481 28.730 312 HD11 LEU 40 HD11 LEU 40 47.883 12.206 27.330 313 HD12 LEU 40 HD12 LEU 40 48.992 13.566 27.507 314 HD13 LEU 40 HD13 LEU 40 47.495 13.522 28.437 315 HD21 LEU 40 HD21 LEU 40 50.140 12.709 30.906 316 HD22 LEU 40 HD22 LEU 40 49.111 14.004 30.295 317 HD23 LEU 40 HD23 LEU 40 50.608 13.597 29.457 318 H LEU 41 H LEU 41 48.538 8.657 30.971 319 HA LEU 41 HA LEU 41 51.005 8.157 29.688 320 HB2 LEU 41 HB2 LEU 41 50.530 7.843 32.132 321 HB3 LEU 41 HB3 LEU 41 49.614 6.395 31.717 322 HG LEU 41 HG LEU 41 51.813 5.722 30.430 323 HD11 LEU 41 HD11 LEU 41 52.743 7.814 32.407 324 HD12 LEU 41 HD12 LEU 41 53.049 7.759 30.671 325 HD13 LEU 41 HD13 LEU 41 53.814 6.582 31.739 326 HD21 LEU 41 HD21 LEU 41 51.216 4.290 32.162 327 HD22 LEU 41 HD22 LEU 41 51.186 5.579 33.363 328 HD23 LEU 41 HD23 LEU 41 52.728 4.942 32.791 329 H ALA 42 H ALA 42 47.994 6.264 29.819 330 HA ALA 42 HA ALA 42 48.992 3.992 28.489 331 HB1 ALA 42 HB1 ALA 42 46.808 3.223 28.469 332 HB2 ALA 42 HB2 ALA 42 46.137 4.820 28.140 333 HB3 ALA 42 HB3 ALA 42 46.717 4.423 29.758 334 H ARG 43 H ARG 43 47.380 6.896 27.235 335 HA ARG 43 HA ARG 43 47.191 6.069 24.549 336 HB2 ARG 43 HB2 ARG 43 46.032 8.051 25.526 337 HB3 ARG 43 HB3 ARG 43 47.582 8.883 25.606 338 HG2 ARG 43 HG2 ARG 43 46.607 9.637 23.583 339 HG3 ARG 43 HG3 ARG 43 47.768 8.412 23.078 340 HD2 ARG 43 HD2 ARG 43 45.940 6.734 23.008 341 HD3 ARG 43 HD3 ARG 43 44.791 7.988 23.462 342 HE ARG 43 HE ARG 43 46.111 8.942 21.219 343 HH11 ARG 43 HH11 ARG 43 44.099 6.159 21.950 344 HH12 ARG 43 HH12 ARG 43 43.502 6.039 20.329 345 HH21 ARG 43 HH21 ARG 43 45.307 8.738 19.149 346 HH22 ARG 43 HH22 ARG 43 44.178 7.482 18.764 347 H VAL 44 H VAL 44 49.781 7.776 26.290 348 HA VAL 44 HA VAL 44 51.360 8.350 24.032 349 HB VAL 44 HB VAL 44 52.206 7.903 26.908 350 HG11 VAL 44 HG11 VAL 44 54.202 9.186 26.345 351 HG12 VAL 44 HG12 VAL 44 53.640 9.392 24.686 352 HG13 VAL 44 HG13 VAL 44 54.096 7.791 25.270 353 HG21 VAL 44 HG21 VAL 44 51.809 10.178 27.268 354 HG22 VAL 44 HG22 VAL 44 50.464 9.748 26.216 355 HG23 VAL 44 HG23 VAL 44 51.874 10.567 25.551 356 H ARG 45 H ARG 45 51.390 5.570 26.252 357 HA ARG 45 HA ARG 45 53.669 4.334 25.087 358 HB2 ARG 45 HB2 ARG 45 52.838 3.893 27.390 359 HB3 ARG 45 HB3 ARG 45 51.460 3.041 26.695 360 HG2 ARG 45 HG2 ARG 45 53.024 1.483 25.554 361 HG3 ARG 45 HG3 ARG 45 54.380 2.308 26.324 362 HD2 ARG 45 HD2 ARG 45 53.386 1.770 28.550 363 HD3 ARG 45 HD3 ARG 45 52.128 0.848 27.732 364 HE ARG 45 HE ARG 45 54.677 -0.052 26.883 365 HH11 ARG 45 HH11 ARG 45 52.584 -0.185 29.697 366 HH12 ARG 45 HH12 ARG 45 53.253 -1.685 30.248 367 HH21 ARG 45 HH21 ARG 45 55.498 -1.982 27.640 368 HH22 ARG 45 HH22 ARG 45 54.882 -2.689 29.097 369 H ALA 46 H ALA 46 50.178 3.659 24.721 370 HA ALA 46 HA ALA 46 50.564 1.383 23.079 371 HB1 ALA 46 HB1 ALA 46 48.227 3.119 23.780 372 HB2 ALA 46 HB2 ALA 46 48.489 1.406 24.110 373 HB3 ALA 46 HB3 ALA 46 48.073 1.937 22.480 374 H GLU 47 H GLU 47 49.765 4.776 22.294 375 HA GLU 47 HA GLU 47 49.714 4.230 19.465 376 HB2 GLU 47 HB2 GLU 47 49.718 6.833 20.997 377 HB3 GLU 47 HB3 GLU 47 49.478 6.688 19.255 378 HG2 GLU 47 HG2 GLU 47 47.750 5.375 21.370 379 HG3 GLU 47 HG3 GLU 47 47.324 6.826 20.471 380 H ARG 48 H ARG 48 52.306 4.689 21.627 381 HA ARG 48 HA ARG 48 54.521 5.229 21.355 382 HB2 ARG 48 HB2 ARG 48 53.883 4.400 18.512 383 HB3 ARG 48 HB3 ARG 48 55.510 4.617 19.158 384 HG2 ARG 48 HG2 ARG 48 55.047 2.896 20.879 385 HG3 ARG 48 HG3 ARG 48 53.441 2.655 20.189 386 HD2 ARG 48 HD2 ARG 48 54.870 0.946 19.275 387 HD3 ARG 48 HD3 ARG 48 54.556 2.113 17.993 388 HE ARG 48 HE ARG 48 56.847 3.058 19.038 389 HH11 ARG 48 HH11 ARG 48 55.968 -0.205 18.085 390 HH12 ARG 48 HH12 ARG 48 57.600 -0.637 17.696 391 HH21 ARG 48 HH21 ARG 48 58.927 2.444 18.520 392 HH22 ARG 48 HH22 ARG 48 59.253 0.844 17.940 393 H LEU 49 H LEU 49 53.245 7.446 21.638 394 HA LEU 49 HA LEU 49 53.111 9.173 19.362 395 HB2 LEU 49 HB2 LEU 49 53.046 9.811 22.320 396 HB3 LEU 49 HB3 LEU 49 52.686 10.960 21.032 397 HG LEU 49 HG LEU 49 51.202 8.348 21.435 398 HD11 LEU 49 HD11 LEU 49 50.069 11.079 21.989 399 HD12 LEU 49 HD12 LEU 49 51.013 10.258 23.231 400 HD13 LEU 49 HD13 LEU 49 49.542 9.514 22.605 401 HD21 LEU 49 HD21 LEU 49 49.539 9.789 19.977 402 HD22 LEU 49 HD22 LEU 49 50.879 8.952 19.198 403 HD23 LEU 49 HD23 LEU 49 51.000 10.678 19.541 404 H ASN 50 H ASN 50 54.390 10.889 18.786 405 HA ASN 50 HA ASN 50 57.198 10.665 19.583 406 HB2 ASN 50 HB2 ASN 50 55.843 12.212 17.365 407 HB3 ASN 50 HB3 ASN 50 57.578 12.211 17.668 408 HD21 ASN 50 HD21 ASN 50 58.777 10.530 16.744 409 HD22 ASN 50 HD22 ASN 50 58.089 9.180 15.984 410 H GLY 51 H GLY 51 54.517 13.005 19.524 411 HA2 GLY 51 HA2 GLY 51 56.043 14.712 21.364 412 HA3 GLY 51 HA3 GLY 51 55.621 15.412 19.812 413 H LEU 52 H LEU 52 54.874 16.570 22.131 414 HA LEU 52 HA LEU 52 51.930 16.229 22.130 415 HB2 LEU 52 HB2 LEU 52 53.651 17.087 24.473 416 HB3 LEU 52 HB3 LEU 52 51.899 16.896 24.478 417 HG LEU 52 HG LEU 52 53.874 14.663 23.919 418 HD11 LEU 52 HD11 LEU 52 53.947 15.461 26.271 419 HD12 LEU 52 HD12 LEU 52 53.259 13.841 26.150 420 HD13 LEU 52 HD13 LEU 52 52.201 15.233 26.386 421 HD21 LEU 52 HD21 LEU 52 51.802 13.260 24.279 422 HD22 LEU 52 HD22 LEU 52 51.753 14.255 22.825 423 HD23 LEU 52 HD23 LEU 52 50.863 14.752 24.264 424 H VAL 53 H VAL 53 50.727 18.121 21.995 425 HA VAL 53 HA VAL 53 52.273 20.631 21.641 426 HB VAL 53 HB VAL 53 49.725 19.803 20.221 427 HG11 VAL 53 HG11 VAL 53 49.810 22.198 20.438 428 HG12 VAL 53 HG12 VAL 53 50.313 21.811 18.792 429 HG13 VAL 53 HG13 VAL 53 51.520 22.234 20.007 430 HG21 VAL 53 HG21 VAL 53 50.996 19.319 18.313 431 HG22 VAL 53 HG22 VAL 53 52.003 18.649 19.592 432 HG23 VAL 53 HG23 VAL 53 52.393 20.218 18.892 433 H VAL 54 H VAL 54 51.742 22.232 23.015 434 HA VAL 54 HA VAL 54 48.952 22.359 23.999 435 HB VAL 54 HB VAL 54 49.877 23.483 26.056 436 HG11 VAL 54 HG11 VAL 54 50.254 20.589 25.382 437 HG12 VAL 54 HG12 VAL 54 49.077 21.350 26.453 438 HG13 VAL 54 HG13 VAL 54 50.756 21.183 26.966 439 HG21 VAL 54 HG21 VAL 54 52.176 23.857 25.007 440 HG22 VAL 54 HG22 VAL 54 52.476 22.140 25.278 441 HG23 VAL 54 HG23 VAL 54 52.176 23.210 26.649 442 H SER 55 H SER 55 47.946 24.235 23.689 443 HA SER 55 HA SER 55 49.491 26.449 22.526 444 HB2 SER 55 HB2 SER 55 47.467 27.224 21.586 445 HB3 SER 55 HB3 SER 55 47.432 25.475 21.397 446 HG SER 55 HG SER 55 45.527 26.088 22.297 447 H SER 56 H SER 56 48.408 25.623 25.606 448 HA SER 56 HA SER 56 48.525 28.411 26.453 449 HB2 SER 56 HB2 SER 56 46.373 28.432 27.538 450 HB3 SER 56 HB3 SER 56 46.136 28.007 25.846 451 HG SER 56 HG SER 56 45.054 26.537 27.066 452 H GLY 57 H GLY 57 48.789 28.688 28.710 453 HA2 GLY 57 HA2 GLY 57 50.372 26.796 30.025 454 HA3 GLY 57 HA3 GLY 57 49.543 28.135 30.814 455 H GLN 58 H GLN 58 46.870 27.357 30.173 456 HA GLN 58 HA GLN 58 46.260 25.715 32.355 457 HB2 GLN 58 HB2 GLN 58 44.668 27.266 31.216 458 HB3 GLN 58 HB3 GLN 58 44.569 26.121 29.878 459 HG2 GLN 58 HG2 GLN 58 43.844 24.363 31.515 460 HG3 GLN 58 HG3 GLN 58 43.787 25.611 32.760 461 HE21 GLN 58 HE21 GLN 58 41.700 26.380 33.052 462 HE22 GLN 58 HE22 GLN 58 40.540 26.544 31.825 463 H GLY 59 H GLY 59 46.472 24.905 28.889 464 HA2 GLY 59 HA2 GLY 59 45.742 22.206 29.081 465 HA3 GLY 59 HA3 GLY 59 46.760 22.892 27.817 466 H LEU 60 H LEU 60 48.925 23.770 29.329 467 HA LEU 60 HA LEU 60 50.507 21.463 29.441 468 HB2 LEU 60 HB2 LEU 60 51.380 23.776 29.195 469 HB3 LEU 60 HB3 LEU 60 50.975 24.084 30.884 470 HG LEU 60 HG LEU 60 52.445 22.122 31.503 471 HD11 LEU 60 HD11 LEU 60 52.891 22.236 28.534 472 HD12 LEU 60 HD12 LEU 60 52.669 20.828 29.571 473 HD13 LEU 60 HD13 LEU 60 54.199 21.705 29.592 474 HD21 LEU 60 HD21 LEU 60 53.925 24.260 29.952 475 HD22 LEU 60 HD22 LEU 60 54.464 23.408 31.400 476 HD23 LEU 60 HD23 LEU 60 53.148 24.578 31.503 477 H GLN 61 H GLN 61 48.935 23.279 32.051 478 HA GLN 61 HA GLN 61 49.958 21.767 34.197 479 HB2 GLN 61 HB2 GLN 61 47.372 23.319 33.960 480 HB3 GLN 61 HB3 GLN 61 48.010 22.671 35.471 481 HG2 GLN 61 HG2 GLN 61 49.444 24.645 33.671 482 HG3 GLN 61 HG3 GLN 61 48.625 25.050 35.176 483 HE21 GLN 61 HE21 GLN 61 51.670 24.687 34.079 484 HE22 GLN 61 HE22 GLN 61 52.414 24.007 35.445 485 H ASN 62 H ASN 62 47.003 21.376 32.268 486 HA ASN 62 HA ASN 62 45.896 19.233 33.705 487 HB2 ASN 62 HB2 ASN 62 45.712 19.935 30.771 488 HB3 ASN 62 HB3 ASN 62 44.736 18.688 31.547 489 HD21 ASN 62 HD21 ASN 62 44.665 21.918 30.679 490 HD22 ASN 62 HD22 ASN 62 43.509 22.465 31.793 491 H LEU 63 H LEU 63 48.258 19.274 31.063 492 HA LEU 63 HA LEU 63 48.414 16.515 30.591 493 HB2 LEU 63 HB2 LEU 63 49.507 18.307 29.206 494 HB3 LEU 63 HB3 LEU 63 50.716 18.477 30.475 495 HG LEU 63 HG LEU 63 51.062 15.924 30.214 496 HD11 LEU 63 HD11 LEU 63 49.683 16.587 27.593 497 HD12 LEU 63 HD12 LEU 63 49.047 15.526 28.850 498 HD13 LEU 63 HD13 LEU 63 50.501 15.069 27.962 499 HD21 LEU 63 HD21 LEU 63 51.839 17.919 28.066 500 HD22 LEU 63 HD22 LEU 63 52.562 16.319 28.221 501 HD23 LEU 63 HD23 LEU 63 52.758 17.503 29.511 502 H TYR 64 H TYR 64 50.156 18.569 32.890 503 HA TYR 64 HA TYR 64 51.901 16.613 33.911 504 HB2 TYR 64 HB2 TYR 64 52.044 19.086 34.268 505 HB3 TYR 64 HB3 TYR 64 50.704 18.956 35.390 506 HD1 TYR 64 HD1 TYR 64 51.002 17.929 37.594 507 HD2 TYR 64 HD2 TYR 64 54.270 18.262 34.821 508 HE1 TYR 64 HE1 TYR 64 52.607 17.443 39.421 509 HE2 TYR 64 HE2 TYR 64 55.863 17.782 36.640 510 HH TYR 64 HH TYR 64 55.227 16.421 39.314 511 H GLN 65 H GLN 65 48.689 17.656 35.023 512 HA GLN 65 HA GLN 65 48.605 16.067 37.346 513 HB2 GLN 65 HB2 GLN 65 46.358 17.117 35.615 514 HB3 GLN 65 HB3 GLN 65 46.136 16.396 37.209 515 HG2 GLN 65 HG2 GLN 65 47.548 18.114 38.220 516 HG3 GLN 65 HG3 GLN 65 47.875 18.811 36.637 517 HE21 GLN 65 HE21 GLN 65 46.668 20.350 38.729 518 HE22 GLN 65 HE22 GLN 65 45.074 20.712 38.271 519 H LEU 66 H LEU 66 47.472 15.417 34.044 520 HA LEU 66 HA LEU 66 46.358 12.877 34.619 521 HB2 LEU 66 HB2 LEU 66 47.415 13.979 32.005 522 HB3 LEU 66 HB3 LEU 66 46.441 12.519 32.168 523 HG LEU 66 HG LEU 66 45.550 15.274 33.073 524 HD11 LEU 66 HD11 LEU 66 43.908 14.830 31.070 525 HD12 LEU 66 HD12 LEU 66 45.178 13.741 30.512 526 HD13 LEU 66 HD13 LEU 66 45.523 15.455 30.739 527 HD21 LEU 66 HD21 LEU 66 44.312 12.529 33.032 528 HD22 LEU 66 HD22 LEU 66 43.290 13.962 32.924 529 HD23 LEU 66 HD23 LEU 66 44.321 13.719 34.334 530 H ALA 67 H ALA 67 49.611 13.878 33.681 531 HA ALA 67 HA ALA 67 50.720 11.364 33.149 532 HB1 ALA 67 HB1 ALA 67 51.969 13.831 34.379 533 HB2 ALA 67 HB2 ALA 67 51.934 13.408 32.667 534 HB3 ALA 67 HB3 ALA 67 52.877 12.438 33.797 535 H ALA 68 H ALA 68 50.317 13.107 36.216 536 HA ALA 68 HA ALA 68 50.243 12.340 38.377 537 HB1 ALA 68 HB1 ALA 68 48.705 10.666 36.922 538 HB2 ALA 68 HB2 ALA 68 48.955 10.465 38.657 539 HB3 ALA 68 HB3 ALA 68 49.902 9.513 37.515 540 H ALA 69 H ALA 69 51.256 9.370 38.909 541 HA ALA 69 HA ALA 69 53.765 10.191 39.864 542 HB1 ALA 69 HB1 ALA 69 53.138 7.314 39.306 543 HB2 ALA 69 HB2 ALA 69 52.242 8.192 40.545 544 HB3 ALA 69 HB3 ALA 69 53.994 8.027 40.673 545 H ASP 70 H ASP 70 52.874 9.170 36.669 546 HA ASP 70 HA ASP 70 55.562 8.163 36.078 547 HB2 ASP 70 HB2 ASP 70 53.029 8.249 34.442 548 HB3 ASP 70 HB3 ASP 70 54.566 7.609 33.859 549 H TRP 71 H TRP 71 54.528 11.209 36.324 550 HA TRP 71 HA TRP 71 54.963 12.522 33.963 551 HB2 TRP 71 HB2 TRP 71 54.264 13.741 35.850 552 HB3 TRP 71 HB3 TRP 71 55.659 13.267 36.785 553 HD1 TRP 71 HD1 TRP 71 57.384 15.071 37.044 554 HE1 TRP 71 HE1 TRP 71 58.058 17.193 35.752 555 HE3 TRP 71 HE3 TRP 71 54.262 14.702 33.010 556 HZ2 TRP 71 HZ2 TRP 71 57.400 18.543 33.329 557 HZ3 TRP 71 HZ3 TRP 71 54.318 16.416 31.226 558 HH2 TRP 71 HH2 TRP 71 55.884 18.335 31.377 559 HA PRO 72 HA PRO 72 59.869 12.449 34.865 560 HB2 PRO 72 HB2 PRO 72 59.755 9.545 35.603 561 HB3 PRO 72 HB3 PRO 72 60.941 10.782 36.071 562 HG2 PRO 72 HG2 PRO 72 59.033 9.994 37.744 563 HG3 PRO 72 HG3 PRO 72 59.581 11.679 37.682 564 HD2 PRO 72 HD2 PRO 72 57.022 10.518 36.755 565 HD3 PRO 72 HD3 PRO 72 57.397 12.186 37.235 566 H GLU 73 H GLU 73 57.919 9.660 33.742 567 HA GLU 73 HA GLU 73 59.769 9.056 31.603 568 HB2 GLU 73 HB2 GLU 73 56.967 8.064 32.173 569 HB3 GLU 73 HB3 GLU 73 58.020 7.435 30.906 570 HG2 GLU 73 HG2 GLU 73 59.718 6.874 32.636 571 HG3 GLU 73 HG3 GLU 73 58.603 7.425 33.880 572 H ILE 74 H ILE 74 56.508 10.457 31.838 573 HA ILE 74 HA ILE 74 56.076 10.793 29.083 574 HB ILE 74 HB ILE 74 54.953 12.343 31.432 575 HG12 ILE 74 HG12 ILE 74 53.781 10.038 29.854 576 HG13 ILE 74 HG13 ILE 74 54.655 9.826 31.368 577 HG21 ILE 74 HG21 ILE 74 53.148 13.001 29.956 578 HG22 ILE 74 HG22 ILE 74 53.818 12.045 28.633 579 HG23 ILE 74 HG23 ILE 74 54.664 13.485 29.200 580 HD11 ILE 74 HD11 ILE 74 52.442 11.825 31.384 581 HD12 ILE 74 HD12 ILE 74 52.952 10.692 32.632 582 HD13 ILE 74 HD13 ILE 74 51.984 10.127 31.273 583 H GLY 75 H GLY 75 57.643 12.885 31.440 584 HA2 GLY 75 HA2 GLY 75 57.729 15.263 29.944 585 HA3 GLY 75 HA3 GLY 75 58.812 14.844 31.261 586 H ARG 76 H ARG 76 59.456 12.341 29.442 587 HA ARG 76 HA ARG 76 61.889 13.319 28.393 588 HB2 ARG 76 HB2 ARG 76 60.352 10.779 27.805 589 HB3 ARG 76 HB3 ARG 76 62.028 11.079 27.334 590 HG2 ARG 76 HG2 ARG 76 62.663 11.378 29.676 591 HG3 ARG 76 HG3 ARG 76 60.991 11.152 30.182 592 HD2 ARG 76 HD2 ARG 76 62.142 9.069 30.511 593 HD3 ARG 76 HD3 ARG 76 61.069 8.868 29.129 594 HE ARG 76 HE ARG 76 63.799 9.670 28.504 595 HH11 ARG 76 HH11 ARG 76 61.558 6.986 28.820 596 HH12 ARG 76 HH12 ARG 76 62.523 5.933 27.841 597 HH21 ARG 76 HH21 ARG 76 65.000 8.267 27.251 598 HH22 ARG 76 HH22 ARG 76 64.448 6.651 26.965 599 H LEU 77 H LEU 77 58.673 13.088 27.005 600 HA LEU 77 HA LEU 77 59.573 13.016 24.287 601 HB2 LEU 77 HB2 LEU 77 56.846 13.564 25.473 602 HB3 LEU 77 HB3 LEU 77 57.164 13.354 23.751 603 HG LEU 77 HG LEU 77 58.085 11.270 25.713 604 HD11 LEU 77 HD11 LEU 77 55.332 11.433 24.447 605 HD12 LEU 77 HD12 LEU 77 55.677 11.660 26.162 606 HD13 LEU 77 HD13 LEU 77 55.951 10.090 25.408 607 HD21 LEU 77 HD21 LEU 77 57.562 9.855 23.635 608 HD22 LEU 77 HD22 LEU 77 58.920 10.972 23.498 609 HD23 LEU 77 HD23 LEU 77 57.364 11.383 22.777 610 HA PRO 78 HA PRO 78 60.052 17.417 23.571 611 HB2 PRO 78 HB2 PRO 78 59.026 17.629 20.995 612 HB3 PRO 78 HB3 PRO 78 60.676 17.110 21.390 613 HG2 PRO 78 HG2 PRO 78 58.288 15.471 20.724 614 HG3 PRO 78 HG3 PRO 78 59.982 15.257 20.239 615 HD2 PRO 78 HD2 PRO 78 58.901 13.755 22.199 616 HD3 PRO 78 HD3 PRO 78 60.592 14.292 22.269 617 H LEU 79 H LEU 79 58.795 18.995 24.387 618 HA LEU 79 HA LEU 79 55.887 18.951 23.832 619 HB2 LEU 79 HB2 LEU 79 56.625 18.969 26.221 620 HB3 LEU 79 HB3 LEU 79 57.391 20.531 25.929 621 HG LEU 79 HG LEU 79 55.108 21.332 25.092 622 HD11 LEU 79 HD11 LEU 79 53.945 19.291 24.726 623 HD12 LEU 79 HD12 LEU 79 53.213 19.975 26.177 624 HD13 LEU 79 HD13 LEU 79 54.386 18.665 26.315 625 HD21 LEU 79 HD21 LEU 79 56.225 21.605 27.463 626 HD22 LEU 79 HD22 LEU 79 54.950 20.499 27.976 627 HD23 LEU 79 HD23 LEU 79 54.533 22.046 27.239 628 H PHE 80 H PHE 80 55.107 20.379 22.407 629 HA PHE 80 HA PHE 80 56.748 22.627 21.498 630 HB2 PHE 80 HB2 PHE 80 53.989 21.713 20.659 631 HB3 PHE 80 HB3 PHE 80 54.892 23.012 19.916 632 HD1 PHE 80 HD1 PHE 80 54.050 19.590 19.769 633 HD2 PHE 80 HD2 PHE 80 57.262 22.320 18.937 634 HE1 PHE 80 HE1 PHE 80 55.003 17.974 18.151 635 HE2 PHE 80 HE2 PHE 80 58.216 20.698 17.318 636 HZ PHE 80 HZ PHE 80 57.076 18.531 16.915 637 H VAL 81 H VAL 81 56.532 24.613 22.396 638 HA VAL 81 HA VAL 81 53.962 25.302 23.703 639 HB VAL 81 HB VAL 81 55.208 26.823 25.145 640 HG11 VAL 81 HG11 VAL 81 56.450 25.111 26.437 641 HG12 VAL 81 HG12 VAL 81 56.369 24.024 25.052 642 HG13 VAL 81 HG13 VAL 81 54.889 24.508 25.880 643 HG21 VAL 81 HG21 VAL 81 57.090 27.601 24.049 644 HG22 VAL 81 HG22 VAL 81 57.462 26.032 23.341 645 HG23 VAL 81 HG23 VAL 81 57.838 26.344 25.033 646 HA PRO 82 HA PRO 82 53.638 28.350 20.576 647 HB2 PRO 82 HB2 PRO 82 51.815 30.061 21.599 648 HB3 PRO 82 HB3 PRO 82 51.400 28.398 21.141 649 HG2 PRO 82 HG2 PRO 82 51.847 29.560 23.826 650 HG3 PRO 82 HG3 PRO 82 50.724 28.290 23.312 651 HD2 PRO 82 HD2 PRO 82 53.181 27.854 24.574 652 HD3 PRO 82 HD3 PRO 82 52.253 26.637 23.678 653 H SER 83 H SER 83 54.706 29.422 23.730 654 HA SER 83 HA SER 83 55.845 31.852 22.535 655 HB2 SER 83 HB2 SER 83 54.834 33.338 24.072 656 HB3 SER 83 HB3 SER 83 53.522 32.304 23.516 657 HG SER 83 HG SER 83 53.333 31.947 25.573 658 HA PRO 84 HA PRO 84 59.299 31.151 25.233 659 HB2 PRO 84 HB2 PRO 84 59.074 33.937 26.261 660 HB3 PRO 84 HB3 PRO 84 60.457 33.117 25.511 661 HG2 PRO 84 HG2 PRO 84 59.049 34.951 24.199 662 HG3 PRO 84 HG3 PRO 84 59.725 33.530 23.380 663 HD2 PRO 84 HD2 PRO 84 56.892 34.077 24.161 664 HD3 PRO 84 HD3 PRO 84 57.526 33.198 22.752 665 H ARG 85 H ARG 85 56.687 33.084 26.720 666 HA ARG 85 HA ARG 85 57.321 32.566 29.405 667 HB2 ARG 85 HB2 ARG 85 54.574 32.992 28.205 668 HB3 ARG 85 HB3 ARG 85 55.012 33.202 29.899 669 HG2 ARG 85 HG2 ARG 85 56.264 34.758 27.619 670 HG3 ARG 85 HG3 ARG 85 54.934 35.354 28.608 671 HD2 ARG 85 HD2 ARG 85 56.375 35.038 30.636 672 HD3 ARG 85 HD3 ARG 85 57.710 34.612 29.570 673 HE ARG 85 HE ARG 85 57.010 36.982 28.563 674 HH11 ARG 85 HH11 ARG 85 57.447 36.042 31.917 675 HH12 ARG 85 HH12 ARG 85 57.921 37.635 32.405 676 HH21 ARG 85 HH21 ARG 85 57.628 39.011 29.250 677 HH22 ARG 85 HH22 ARG 85 58.021 39.295 30.912 678 H VAL 86 H VAL 86 55.098 30.826 27.216 679 HA VAL 86 HA VAL 86 54.285 28.866 29.060 680 HB VAL 86 HB VAL 86 54.589 28.611 26.057 681 HG11 VAL 86 HG11 VAL 86 54.273 26.421 26.983 682 HG12 VAL 86 HG12 VAL 86 52.691 26.943 26.403 683 HG13 VAL 86 HG13 VAL 86 53.065 27.009 28.125 684 HG21 VAL 86 HG21 VAL 86 53.175 30.535 26.919 685 HG22 VAL 86 HG22 VAL 86 52.133 29.333 27.677 686 HG23 VAL 86 HG23 VAL 86 52.308 29.367 25.923 687 H ALA 87 H ALA 87 57.063 28.987 26.860 688 HA ALA 87 HA ALA 87 58.012 26.381 27.211 689 HB1 ALA 87 HB1 ALA 87 58.811 28.372 25.667 690 HB2 ALA 87 HB2 ALA 87 59.940 27.106 26.156 691 HB3 ALA 87 HB3 ALA 87 59.940 28.659 26.993 692 H GLU 88 H GLU 88 58.615 29.321 29.099 693 HA GLU 88 HA GLU 88 60.542 28.248 30.847 694 HB2 GLU 88 HB2 GLU 88 58.517 30.450 31.306 695 HB3 GLU 88 HB3 GLU 88 59.877 30.102 32.374 696 HG2 GLU 88 HG2 GLU 88 61.430 30.453 30.463 697 HG3 GLU 88 HG3 GLU 88 60.059 30.881 29.451 698 H MET 89 H MET 89 56.999 28.363 31.068 699 HA MET 89 HA MET 89 56.728 27.292 33.647 700 HB2 MET 89 HB2 MET 89 54.924 26.988 31.234 701 HB3 MET 89 HB3 MET 89 54.465 26.582 32.888 702 HG2 MET 89 HG2 MET 89 54.999 28.947 33.547 703 HG3 MET 89 HG3 MET 89 55.249 29.315 31.841 704 HE1 MET 89 HE1 MET 89 52.578 26.988 33.716 705 HE2 MET 89 HE2 MET 89 51.366 28.234 34.006 706 HE3 MET 89 HE3 MET 89 52.988 28.420 34.671 707 H ALA 90 H ALA 90 56.954 25.687 30.495 708 HA ALA 90 HA ALA 90 56.573 23.047 31.388 709 HB1 ALA 90 HB1 ALA 90 56.445 23.290 29.074 710 HB2 ALA 90 HB2 ALA 90 58.025 22.531 29.279 711 HB3 ALA 90 HB3 ALA 90 57.911 24.269 28.996 712 H ARG 91 H ARG 91 59.514 25.002 31.089 713 HA ARG 91 HA ARG 91 61.371 22.988 31.718 714 HB2 ARG 91 HB2 ARG 91 61.959 25.232 30.804 715 HB3 ARG 91 HB3 ARG 91 61.577 25.938 32.375 716 HG2 ARG 91 HG2 ARG 91 63.284 24.472 33.426 717 HG3 ARG 91 HG3 ARG 91 63.697 23.838 31.833 718 HD2 ARG 91 HD2 ARG 91 64.242 26.161 31.097 719 HD3 ARG 91 HD3 ARG 91 63.942 26.718 32.740 720 HE ARG 91 HE ARG 91 65.801 24.620 32.865 721 HH11 ARG 91 HH11 ARG 91 65.656 27.905 31.635 722 HH12 ARG 91 HH12 ARG 91 67.358 28.162 31.838 723 HH21 ARG 91 HH21 ARG 91 67.984 25.009 33.103 724 HH22 ARG 91 HH22 ARG 91 68.658 26.542 32.658 725 H GLU 92 H GLU 92 59.597 25.250 33.812 726 HA GLU 92 HA GLU 92 60.868 24.577 36.226 727 HB2 GLU 92 HB2 GLU 92 58.047 25.549 35.724 728 HB3 GLU 92 HB3 GLU 92 58.812 25.474 37.313 729 HG2 GLU 92 HG2 GLU 92 60.628 26.953 36.479 730 HG3 GLU 92 HG3 GLU 92 59.796 27.076 34.936 731 H LEU 93 H LEU 93 58.105 23.094 34.579 732 HA LEU 93 HA LEU 93 57.417 21.274 36.628 733 HB2 LEU 93 HB2 LEU 93 57.128 20.900 33.642 734 HB3 LEU 93 HB3 LEU 93 56.304 19.966 34.883 735 HG LEU 93 HG LEU 93 55.990 22.945 34.397 736 HD11 LEU 93 HD11 LEU 93 53.621 22.166 33.864 737 HD12 LEU 93 HD12 LEU 93 54.260 20.521 33.863 738 HD13 LEU 93 HD13 LEU 93 54.853 21.698 32.690 739 HD21 LEU 93 HD21 LEU 93 54.039 22.582 36.036 740 HD22 LEU 93 HD22 LEU 93 55.657 22.600 36.740 741 HD23 LEU 93 HD23 LEU 93 54.829 21.066 36.470 742 H GLY 94 H GLY 94 60.092 21.246 34.392 743 HA2 GLY 94 HA2 GLY 94 61.946 19.762 34.828 744 HA3 GLY 94 HA3 GLY 94 60.797 18.532 35.325 745 H ALA 95 H ALA 95 59.854 20.235 32.445 746 HA ALA 95 HA ALA 95 59.811 17.895 30.892 747 HB1 ALA 95 HB1 ALA 95 58.606 20.166 30.523 748 HB2 ALA 95 HB2 ALA 95 59.131 19.254 29.108 749 HB3 ALA 95 HB3 ALA 95 60.079 20.631 29.672 750 H GLN 96 H GLN 96 61.361 16.818 29.862 751 HA GLN 96 HA GLN 96 64.079 17.571 30.325 752 HB2 GLN 96 HB2 GLN 96 62.898 15.299 28.712 753 HB3 GLN 96 HB3 GLN 96 64.600 15.459 29.153 754 HG2 GLN 96 HG2 GLN 96 63.962 15.492 31.550 755 HG3 GLN 96 HG3 GLN 96 62.276 15.273 31.091 756 HE21 GLN 96 HE21 GLN 96 62.307 13.201 32.316 757 HE22 GLN 96 HE22 GLN 96 63.018 11.825 31.632 758 H ARG 97 H ARG 97 61.944 17.590 27.510 759 HA ARG 97 HA ARG 97 63.993 19.169 26.073 760 HB2 ARG 97 HB2 ARG 97 63.880 16.852 25.171 761 HB3 ARG 97 HB3 ARG 97 62.170 17.100 24.823 762 HG2 ARG 97 HG2 ARG 97 62.777 19.046 23.390 763 HG3 ARG 97 HG3 ARG 97 64.482 18.688 23.672 764 HD2 ARG 97 HD2 ARG 97 62.482 16.791 22.411 765 HD3 ARG 97 HD3 ARG 97 63.688 17.726 21.532 766 HE ARG 97 HE ARG 97 64.723 16.003 23.639 767 HH11 ARG 97 HH11 ARG 97 64.034 16.304 20.211 768 HH12 ARG 97 HH12 ARG 97 65.131 15.036 19.778 769 HH21 ARG 97 HH21 ARG 97 66.120 14.379 23.021 770 HH22 ARG 97 HH22 ARG 97 66.296 13.960 21.350 771 H VAL 98 H VAL 98 63.208 21.161 25.917 772 HA VAL 98 HA VAL 98 60.304 21.527 25.452 773 HB VAL 98 HB VAL 98 62.301 23.493 26.604 774 HG11 VAL 98 HG11 VAL 98 60.252 24.771 27.181 775 HG12 VAL 98 HG12 VAL 98 59.281 23.573 26.328 776 HG13 VAL 98 HG13 VAL 98 60.430 24.571 25.439 777 HG21 VAL 98 HG21 VAL 98 60.096 21.927 27.987 778 HG22 VAL 98 HG22 VAL 98 61.213 23.057 28.748 779 HG23 VAL 98 HG23 VAL 98 61.812 21.535 28.092 780 H ILE 99 H ILE 99 59.658 22.428 23.612 781 HA ILE 99 HA ILE 99 61.701 23.552 21.787 782 HB ILE 99 HB ILE 99 59.229 21.918 21.143 783 HG12 ILE 99 HG12 ILE 99 62.148 21.231 20.711 784 HG13 ILE 99 HG13 ILE 99 61.242 20.717 22.133 785 HG21 ILE 99 HG21 ILE 99 59.403 23.226 19.254 786 HG22 ILE 99 HG22 ILE 99 60.549 21.960 18.819 787 HG23 ILE 99 HG23 ILE 99 61.133 23.495 19.461 788 HD11 ILE 99 HD11 ILE 99 61.195 18.930 20.479 789 HD12 ILE 99 HD12 ILE 99 60.597 20.042 19.249 790 HD13 ILE 99 HD13 ILE 99 59.578 19.620 20.625 791 H ASP 100 H ASP 100 61.381 25.626 21.278 792 HA ASP 100 HA ASP 100 58.753 26.842 21.757 793 HB2 ASP 100 HB2 ASP 100 60.805 27.952 22.632 794 HB3 ASP 100 HB3 ASP 100 61.366 28.155 20.973 795 H CYS 101 H CYS 101 57.346 26.966 20.116 796 HA CYS 101 HA CYS 101 58.347 26.729 17.370 797 HB2 CYS 101 HB2 CYS 101 56.048 26.239 16.757 798 HB3 CYS 101 HB3 CYS 101 56.549 25.217 18.101 799 HG CYS 101 HG CYS 101 54.316 26.151 18.910 800 H ARG 102 H ARG 102 57.575 29.281 19.411 801 HA ARG 102 HA ARG 102 55.987 30.977 17.872 802 HB2 ARG 102 HB2 ARG 102 56.688 31.411 20.218 803 HB3 ARG 102 HB3 ARG 102 58.316 31.761 19.643 804 HG2 ARG 102 HG2 ARG 102 57.279 33.883 19.849 805 HG3 ARG 102 HG3 ARG 102 57.217 33.530 18.125 806 HD2 ARG 102 HD2 ARG 102 54.896 32.680 18.408 807 HD3 ARG 102 HD3 ARG 102 54.969 33.109 20.114 808 HE ARG 102 HE ARG 102 54.650 35.322 19.520 809 HH11 ARG 102 HH11 ARG 102 55.563 33.539 16.637 810 HH12 ARG 102 HH12 ARG 102 55.257 34.883 15.588 811 HH21 ARG 102 HH21 ARG 102 54.272 37.017 18.121 812 HH22 ARG 102 HH22 ARG 102 54.535 36.826 16.419 813 H GLY 103 H GLY 103 59.480 30.390 17.732 814 HA2 GLY 103 HA2 GLY 103 59.737 32.263 15.487 815 HA3 GLY 103 HA3 GLY 103 61.063 31.492 16.351 816 H ALA 104 H ALA 104 59.957 28.808 16.215 817 HA ALA 104 HA ALA 104 60.938 28.084 13.611 818 HB1 ALA 104 HB1 ALA 104 59.951 26.605 16.018 819 HB2 ALA 104 HB2 ALA 104 61.496 26.477 15.179 820 HB3 ALA 104 HB3 ALA 104 60.048 25.756 14.476 821 H SER 105 H SER 105 59.823 27.470 11.834 822 HA SER 105 HA SER 105 56.981 28.055 11.753 823 HB2 SER 105 HB2 SER 105 57.185 27.839 9.374 824 HB3 SER 105 HB3 SER 105 58.611 28.704 9.936 825 HG SER 105 HG SER 105 59.674 27.114 9.112 826 H ALA 106 H ALA 106 55.480 26.519 10.666 827 HA ALA 106 HA ALA 106 55.190 24.143 11.999 828 HB1 ALA 106 HB1 ALA 106 53.518 25.339 10.498 829 HB2 ALA 106 HB2 ALA 106 53.490 23.576 10.483 830 HB3 ALA 106 HB3 ALA 106 54.249 24.456 9.160 831 HA PRO 107 HA PRO 107 57.192 21.566 8.428 832 HB2 PRO 107 HB2 PRO 107 59.265 22.904 7.104 833 HB3 PRO 107 HB3 PRO 107 57.661 22.556 6.435 834 HG2 PRO 107 HG2 PRO 107 58.712 25.058 7.614 835 HG3 PRO 107 HG3 PRO 107 57.564 24.823 6.285 836 HD2 PRO 107 HD2 PRO 107 56.755 25.599 8.723 837 HD3 PRO 107 HD3 PRO 107 55.751 24.550 7.704 838 H ALA 108 H ALA 108 59.057 24.113 10.032 839 HA ALA 108 HA ALA 108 61.400 22.636 10.555 840 HB1 ALA 108 HB1 ALA 108 61.932 24.316 12.145 841 HB2 ALA 108 HB2 ALA 108 60.233 24.697 12.427 842 HB3 ALA 108 HB3 ALA 108 60.995 25.142 10.900 843 H LEU 109 H LEU 109 58.386 22.986 12.396 844 HA LEU 109 HA LEU 109 59.105 21.478 14.647 845 HB2 LEU 109 HB2 LEU 109 56.374 21.663 13.351 846 HB3 LEU 109 HB3 LEU 109 56.707 21.189 15.016 847 HG LEU 109 HG LEU 109 57.393 23.888 13.811 848 HD11 LEU 109 HD11 LEU 109 55.528 24.761 15.046 849 HD12 LEU 109 HD12 LEU 109 55.271 23.221 15.865 850 HD13 LEU 109 HD13 LEU 109 54.925 23.372 14.143 851 HD21 LEU 109 HD21 LEU 109 57.611 22.746 16.612 852 HD22 LEU 109 HD22 LEU 109 57.735 24.468 16.252 853 HD23 LEU 109 HD23 LEU 109 58.925 23.343 15.599 854 H LEU 110 H LEU 110 57.747 20.476 11.532 855 HA LEU 110 HA LEU 110 57.303 17.766 12.098 856 HB2 LEU 110 HB2 LEU 110 56.555 18.920 10.029 857 HB3 LEU 110 HB3 LEU 110 58.228 18.974 9.478 858 HG LEU 110 HG LEU 110 58.279 16.448 9.702 859 HD11 LEU 110 HD11 LEU 110 56.431 16.073 11.189 860 HD12 LEU 110 HD12 LEU 110 55.967 15.393 9.629 861 HD13 LEU 110 HD13 LEU 110 55.326 16.956 10.136 862 HD21 LEU 110 HD21 LEU 110 56.733 16.150 7.643 863 HD22 LEU 110 HD22 LEU 110 58.084 17.274 7.494 864 HD23 LEU 110 HD23 LEU 110 56.454 17.885 7.776 865 H ALA 111 H ALA 111 60.199 19.415 10.896 866 HA ALA 111 HA ALA 111 61.828 17.142 10.591 867 HB1 ALA 111 HB1 ALA 111 62.357 20.063 11.002 868 HB2 ALA 111 HB2 ALA 111 62.737 19.042 9.615 869 HB3 ALA 111 HB3 ALA 111 63.699 18.923 11.089 870 H ALA 112 H ALA 112 61.246 19.231 13.392 871 HA ALA 112 HA ALA 112 63.188 18.138 15.100 872 HB1 ALA 112 HB1 ALA 112 61.716 19.011 16.941 873 HB2 ALA 112 HB2 ALA 112 60.515 19.413 15.714 874 HB3 ALA 112 HB3 ALA 112 62.093 20.199 15.694 875 H LEU 113 H LEU 113 59.837 17.161 14.479 876 HA LEU 113 HA LEU 113 59.588 15.235 16.507 877 HB2 LEU 113 HB2 LEU 113 58.286 15.735 13.867 878 HB3 LEU 113 HB3 LEU 113 58.033 14.154 14.597 879 HG LEU 113 HG LEU 113 57.668 16.621 16.274 880 HD11 LEU 113 HD11 LEU 113 55.741 15.511 14.220 881 HD12 LEU 113 HD12 LEU 113 56.300 17.175 14.388 882 HD13 LEU 113 HD13 LEU 113 55.209 16.486 15.590 883 HD21 LEU 113 HD21 LEU 113 56.733 13.761 16.232 884 HD22 LEU 113 HD22 LEU 113 55.791 14.973 17.103 885 HD23 LEU 113 HD23 LEU 113 57.469 14.667 17.554 886 H THR 114 H THR 114 60.640 14.871 13.136 887 HA THR 114 HA THR 114 61.019 12.070 13.297 888 HB THR 114 HB THR 114 62.299 12.340 11.188 889 HG1 THR 114 HG1 THR 114 62.588 14.412 10.460 890 HG21 THR 114 HG21 THR 114 60.375 13.718 10.034 891 HG22 THR 114 HG22 THR 114 59.638 13.661 11.636 892 HG23 THR 114 HG23 THR 114 60.011 12.164 10.783 893 H SER 115 H SER 115 63.275 14.773 13.770 894 HA SER 115 HA SER 115 65.617 13.223 14.018 895 HB2 SER 115 HB2 SER 115 64.990 15.872 15.337 896 HB3 SER 115 HB3 SER 115 66.591 15.187 15.077 897 HG SER 115 HG SER 115 64.926 16.419 13.338 898 H ALA 116 H ALA 116 63.272 14.322 16.449 899 HA ALA 116 HA ALA 116 64.680 13.454 18.723 900 HB1 ALA 116 HB1 ALA 116 62.819 14.996 18.916 901 HB2 ALA 116 HB2 ALA 116 62.459 13.542 19.848 902 HB3 ALA 116 HB3 ALA 116 61.707 13.788 18.272 903 H ALA 117 H ALA 117 62.340 11.785 16.644 904 HA ALA 117 HA ALA 117 62.013 9.468 18.184 905 HB1 ALA 117 HB1 ALA 117 61.573 8.394 15.877 906 HB2 ALA 117 HB2 ALA 117 61.827 10.015 15.231 907 HB3 ALA 117 HB3 ALA 117 60.525 9.720 16.383 908 H LEU 118 H LEU 118 64.544 10.362 15.886 909 HA LEU 118 HA LEU 118 65.748 7.829 15.613 910 HB2 LEU 118 HB2 LEU 118 67.007 10.579 15.471 911 HB3 LEU 118 HB3 LEU 118 67.758 9.086 14.905 912 HG LEU 118 HG LEU 118 65.096 10.127 13.898 913 HD11 LEU 118 HD11 LEU 118 66.448 10.636 11.815 914 HD12 LEU 118 HD12 LEU 118 67.901 10.374 12.780 915 HD13 LEU 118 HD13 LEU 118 66.795 11.685 13.192 916 HD21 LEU 118 HD21 LEU 118 65.160 7.806 13.498 917 HD22 LEU 118 HD22 LEU 118 66.900 7.813 13.208 918 HD23 LEU 118 HD23 LEU 118 65.802 8.485 12.002 919 H GLU 119 H GLU 119 66.166 10.366 18.044 920 HA GLU 119 HA GLU 119 68.168 8.685 19.425 921 HB2 GLU 119 HB2 GLU 119 68.778 11.048 18.867 922 HB3 GLU 119 HB3 GLU 119 67.474 11.587 19.925 923 HG2 GLU 119 HG2 GLU 119 68.522 10.330 21.802 924 HG3 GLU 119 HG3 GLU 119 69.854 9.897 20.740 925 H HIS 120 H HIS 120 67.630 7.657 21.238 926 HA HIS 120 HA HIS 120 65.037 8.264 22.489 927 HB2 HIS 120 HB2 HIS 120 66.881 5.891 22.763 928 HB3 HIS 120 HB3 HIS 120 65.376 6.086 23.638 929 HD1 HIS 120 HD1 HIS 120 66.772 5.249 20.277 930 HD2 HIS 120 HD2 HIS 120 63.023 5.716 22.040 931 HE1 HIS 120 HE1 HIS 120 65.088 4.306 18.639 932 H HIS 121 H HIS 121 68.495 8.110 23.194 933 HA HIS 121 HA HIS 121 67.941 9.237 25.882 934 HB2 HIS 121 HB2 HIS 121 70.230 7.472 25.010 935 HB3 HIS 121 HB3 HIS 121 70.062 8.204 26.595 936 HD1 HIS 121 HD1 HIS 121 67.706 7.452 27.867 937 HD2 HIS 121 HD2 HIS 121 69.154 4.949 24.863 938 HE1 HIS 121 HE1 HIS 121 66.593 5.205 28.210 939 H HIS 122 H HIS 122 68.746 11.189 26.268 940 HA HIS 122 HA HIS 122 70.059 12.755 24.349 941 HB2 HIS 122 HB2 HIS 122 70.026 13.066 27.352 942 HB3 HIS 122 HB3 HIS 122 70.516 14.306 26.212 943 HD1 HIS 122 HD1 HIS 122 68.522 15.017 24.449 944 HD2 HIS 122 HD2 HIS 122 67.344 13.120 27.971 945 HE1 HIS 122 HE1 HIS 122 66.055 15.507 24.736 946 H HIS 123 H HIS 123 71.338 10.772 26.981 947 HA HIS 123 HA HIS 123 73.957 11.681 27.087 948 HB2 HIS 123 HB2 HIS 123 72.913 8.869 27.416 949 HB3 HIS 123 HB3 HIS 123 74.520 9.394 27.877 950 HD1 HIS 123 HD1 HIS 123 70.931 9.557 28.904 951 HD2 HIS 123 HD2 HIS 123 74.601 11.015 30.240 952 HE1 HIS 123 HE1 HIS 123 70.542 10.439 31.245 953 H HIS 124 H HIS 124 72.477 9.426 24.802 954 HA HIS 124 HA HIS 124 75.049 9.276 23.336 955 HB2 HIS 124 HB2 HIS 124 72.686 7.396 23.297 956 HB3 HIS 124 HB3 HIS 124 74.131 7.227 22.318 957 HD1 HIS 124 HD1 HIS 124 76.439 7.030 23.848 958 HD2 HIS 124 HD2 HIS 124 72.828 6.053 25.689 959 HE1 HIS 124 HE1 HIS 124 77.027 5.655 25.890 960 H HIS 125 H HIS 125 75.141 9.928 21.252 961 HA HIS 125 HA HIS 125 72.830 11.372 20.207 962 HB2 HIS 125 HB2 HIS 125 75.618 11.096 19.081 963 HB3 HIS 125 HB3 HIS 125 74.379 12.203 18.520 964 HD1 HIS 125 HD1 HIS 125 73.548 13.957 20.517 965 HD2 HIS 125 HD2 HIS 125 77.317 12.220 20.921 966 HE1 HIS 125 HE1 HIS 125 74.826 15.395 22.162 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 56.855 7.691 6.924 2 H2 MET 1 HT2 MET 1 57.606 6.204 7.258 3 H3 MET 1 HT3 MET 1 58.527 7.629 7.201 4 HA MET 1 HA MET 1 57.099 6.495 9.382 5 HB2 MET 1 HB2 MET 1 58.911 8.916 9.124 6 HB3 MET 1 HB3 MET 1 58.490 8.107 10.631 7 HG2 MET 1 HG2 MET 1 60.004 6.872 8.310 8 HG3 MET 1 HG3 MET 1 60.699 7.369 9.849 9 HE1 MET 1 HE1 MET 1 59.845 6.775 11.956 10 HE2 MET 1 HE2 MET 1 59.600 5.101 12.446 11 HE3 MET 1 HE3 MET 1 58.213 6.100 12.016 12 H ASP 2 H ASP 2 55.384 7.249 10.476 13 HA ASP 2 HA ASP 2 54.294 9.905 9.747 14 HB2 ASP 2 HB2 ASP 2 52.710 7.395 10.341 15 HB3 ASP 2 HB3 ASP 2 52.046 8.977 9.936 16 HA PRO 3 HA PRO 3 55.296 9.609 14.276 17 HB2 PRO 3 HB2 PRO 3 55.425 12.367 14.636 18 HB3 PRO 3 HB3 PRO 3 56.804 11.324 14.239 19 HG2 PRO 3 HG2 PRO 3 55.157 13.033 12.456 20 HG3 PRO 3 HG3 PRO 3 56.902 12.715 12.431 21 HD2 PRO 3 HD2 PRO 3 55.242 11.521 10.679 22 HD3 PRO 3 HD3 PRO 3 56.661 10.673 11.335 23 H LYS 4 H LYS 4 54.023 10.068 16.120 24 HA LYS 4 HA LYS 4 51.274 10.992 15.519 25 HB2 LYS 4 HB2 LYS 4 52.299 9.151 17.696 26 HB3 LYS 4 HB3 LYS 4 50.619 9.648 17.496 27 HG2 LYS 4 HG2 LYS 4 50.635 8.653 15.209 28 HG3 LYS 4 HG3 LYS 4 52.275 8.075 15.502 29 HD2 LYS 4 HD2 LYS 4 51.427 6.823 17.493 30 HD3 LYS 4 HD3 LYS 4 49.790 7.315 17.061 31 HE2 LYS 4 HE2 LYS 4 50.314 5.052 16.198 32 HE3 LYS 4 HE3 LYS 4 50.004 6.191 14.887 33 HZ1 LYS 4 HZ1 LYS 4 52.009 4.751 14.601 34 HZ2 LYS 4 HZ2 LYS 4 52.722 5.584 15.898 35 HZ3 LYS 4 HZ3 LYS 4 52.304 6.417 14.477 36 H VAL 5 H VAL 5 50.400 12.669 16.701 37 HA VAL 5 HA VAL 5 51.844 13.548 19.119 38 HB VAL 5 HB VAL 5 51.392 15.931 18.451 39 HG11 VAL 5 HG11 VAL 5 53.632 15.331 18.329 40 HG12 VAL 5 HG12 VAL 5 53.314 15.822 16.665 41 HG13 VAL 5 HG13 VAL 5 53.345 14.109 17.088 42 HG21 VAL 5 HG21 VAL 5 49.770 15.655 16.686 43 HG22 VAL 5 HG22 VAL 5 50.850 14.588 15.788 44 HG23 VAL 5 HG23 VAL 5 51.239 16.299 15.954 45 H LEU 6 H LEU 6 50.672 14.335 20.738 46 HA LEU 6 HA LEU 6 47.736 14.106 20.496 47 HB2 LEU 6 HB2 LEU 6 48.902 12.686 22.199 48 HB3 LEU 6 HB3 LEU 6 49.424 14.163 23.009 49 HG LEU 6 HG LEU 6 46.935 14.815 23.056 50 HD11 LEU 6 HD11 LEU 6 45.548 12.582 23.160 51 HD12 LEU 6 HD12 LEU 6 46.833 11.959 22.126 52 HD13 LEU 6 HD13 LEU 6 45.866 13.334 21.598 53 HD21 LEU 6 HD21 LEU 6 46.543 13.424 25.081 54 HD22 LEU 6 HD22 LEU 6 48.169 14.107 25.058 55 HD23 LEU 6 HD23 LEU 6 47.917 12.414 24.633 56 H ILE 7 H ILE 7 46.440 15.840 20.873 57 HA ILE 7 HA ILE 7 47.796 18.423 21.320 58 HB ILE 7 HB ILE 7 45.039 17.916 20.173 59 HG12 ILE 7 HG12 ILE 7 47.536 18.727 18.666 60 HG13 ILE 7 HG13 ILE 7 47.018 17.046 18.788 61 HG21 ILE 7 HG21 ILE 7 46.813 20.377 20.271 62 HG22 ILE 7 HG22 ILE 7 45.315 20.141 21.170 63 HG23 ILE 7 HG23 ILE 7 45.277 20.272 19.411 64 HD11 ILE 7 HD11 ILE 7 46.224 18.459 16.740 65 HD12 ILE 7 HD12 ILE 7 45.068 19.150 17.877 66 HD13 ILE 7 HD13 ILE 7 45.063 17.416 17.562 67 H MET 8 H MET 8 47.423 19.581 23.058 68 HA MET 8 HA MET 8 45.332 18.820 24.963 69 HB2 MET 8 HB2 MET 8 47.610 20.818 25.083 70 HB3 MET 8 HB3 MET 8 46.482 20.529 26.400 71 HG2 MET 8 HG2 MET 8 48.266 18.425 25.137 72 HG3 MET 8 HG3 MET 8 48.595 19.236 26.664 73 HE1 MET 8 HE1 MET 8 45.819 18.030 29.026 74 HE2 MET 8 HE2 MET 8 46.028 19.548 28.166 75 HE3 MET 8 HE3 MET 8 47.418 18.762 28.901 76 H ARG 9 H ARG 9 43.514 20.029 25.285 77 HA ARG 9 HA ARG 9 42.685 21.864 23.309 78 HB2 ARG 9 HB2 ARG 9 41.151 20.507 24.744 79 HB3 ARG 9 HB3 ARG 9 41.553 21.564 26.097 80 HG2 ARG 9 HG2 ARG 9 40.755 23.516 24.801 81 HG3 ARG 9 HG3 ARG 9 40.307 22.437 23.479 82 HD2 ARG 9 HD2 ARG 9 38.795 21.213 25.045 83 HD3 ARG 9 HD3 ARG 9 39.180 22.396 26.291 84 HE ARG 9 HE ARG 9 38.260 23.664 23.901 85 HH11 ARG 9 HH11 ARG 9 37.096 21.934 26.726 86 HH12 ARG 9 HH12 ARG 9 35.536 22.684 26.664 87 HH21 ARG 9 HH21 ARG 9 36.233 24.595 23.874 88 HH22 ARG 9 HH22 ARG 9 35.054 24.170 25.069 89 H GLY 10 H GLY 10 42.513 24.081 23.285 90 HA2 GLY 10 HA2 GLY 10 43.423 25.656 25.558 91 HA3 GLY 10 HA3 GLY 10 44.452 25.726 24.130 92 H GLU 11 H GLU 11 43.493 28.068 24.840 93 HA GLU 11 HA GLU 11 40.931 28.839 24.045 94 HB2 GLU 11 HB2 GLU 11 42.552 30.248 25.318 95 HB3 GLU 11 HB3 GLU 11 43.447 30.502 23.818 96 HG2 GLU 11 HG2 GLU 11 41.381 31.425 22.780 97 HG3 GLU 11 HG3 GLU 11 40.554 31.250 24.320 98 H GLY 12 H GLY 12 43.828 28.304 22.104 99 HA2 GLY 12 HA2 GLY 12 42.990 29.637 19.758 100 HA3 GLY 12 HA3 GLY 12 44.180 28.340 19.829 101 H GLY 13 H GLY 13 42.883 28.111 17.647 102 HA2 GLY 13 HA2 GLY 13 40.338 26.733 17.923 103 HA3 GLY 13 HA3 GLY 13 41.173 27.102 16.417 104 H ARG 14 H ARG 14 40.307 24.662 18.506 105 HA ARG 14 HA ARG 14 42.502 22.923 18.586 106 HB2 ARG 14 HB2 ARG 14 39.563 22.206 18.362 107 HB3 ARG 14 HB3 ARG 14 40.846 21.146 18.943 108 HG2 ARG 14 HG2 ARG 14 41.288 22.643 20.817 109 HG3 ARG 14 HG3 ARG 14 40.082 23.787 20.225 110 HD2 ARG 14 HD2 ARG 14 38.945 22.557 21.893 111 HD3 ARG 14 HD3 ARG 14 38.416 21.836 20.380 112 HE ARG 14 HE ARG 14 40.620 20.364 21.149 113 HH11 ARG 14 HH11 ARG 14 37.477 21.073 22.541 114 HH12 ARG 14 HH12 ARG 14 37.464 19.632 23.503 115 HH21 ARG 14 HH21 ARG 14 40.554 18.528 22.433 116 HH22 ARG 14 HH22 ARG 14 39.180 18.212 23.437 117 H GLU 15 H GLU 15 39.915 23.261 16.178 118 HA GLU 15 HA GLU 15 40.693 21.088 14.553 119 HB2 GLU 15 HB2 GLU 15 38.468 22.223 14.480 120 HB3 GLU 15 HB3 GLU 15 39.242 23.594 13.682 121 HG2 GLU 15 HG2 GLU 15 40.036 22.060 11.888 122 HG3 GLU 15 HG3 GLU 15 39.166 20.742 12.661 123 H PHE 16 H PHE 16 41.519 24.552 14.419 124 HA PHE 16 HA PHE 16 42.741 24.552 11.907 125 HB2 PHE 16 HB2 PHE 16 43.223 26.225 14.361 126 HB3 PHE 16 HB3 PHE 16 44.058 26.514 12.846 127 HD1 PHE 16 HD1 PHE 16 40.800 26.590 14.577 128 HD2 PHE 16 HD2 PHE 16 42.904 27.466 10.937 129 HE1 PHE 16 HE1 PHE 16 38.872 27.935 13.786 130 HE2 PHE 16 HE2 PHE 16 40.977 28.810 10.145 131 HZ PHE 16 HZ PHE 16 38.961 29.045 11.570 132 H LEU 17 H LEU 17 44.306 24.173 15.107 133 HA LEU 17 HA LEU 17 46.915 23.865 14.098 134 HB2 LEU 17 HB2 LEU 17 45.615 22.984 16.669 135 HB3 LEU 17 HB3 LEU 17 47.310 22.645 16.321 136 HG LEU 17 HG LEU 17 47.392 25.218 15.736 137 HD11 LEU 17 HD11 LEU 17 45.860 26.446 17.360 138 HD12 LEU 17 HD12 LEU 17 44.953 24.940 17.502 139 HD13 LEU 17 HD13 LEU 17 45.069 25.756 15.942 140 HD21 LEU 17 HD21 LEU 17 47.133 24.531 18.660 141 HD22 LEU 17 HD22 LEU 17 48.288 25.611 17.880 142 HD23 LEU 17 HD23 LEU 17 48.450 23.865 17.692 143 H ALA 18 H ALA 18 44.422 21.441 14.845 144 HA ALA 18 HA ALA 18 46.015 19.178 14.415 145 HB1 ALA 18 HB1 ALA 18 43.045 19.649 14.200 146 HB2 ALA 18 HB2 ALA 18 43.933 18.827 15.482 147 HB3 ALA 18 HB3 ALA 18 43.759 18.063 13.902 148 H GLU 19 H GLU 19 44.059 21.057 12.111 149 HA GLU 19 HA GLU 19 44.333 19.293 9.938 150 HB2 GLU 19 HB2 GLU 19 43.895 22.280 10.013 151 HB3 GLU 19 HB3 GLU 19 43.850 21.324 8.531 152 HG2 GLU 19 HG2 GLU 19 42.076 19.903 9.525 153 HG3 GLU 19 HG3 GLU 19 42.088 20.911 10.963 154 H ARG 20 H ARG 20 46.385 21.976 11.049 155 HA ARG 20 HA ARG 20 48.126 22.032 8.846 156 HB2 ARG 20 HB2 ARG 20 48.714 22.608 11.758 157 HB3 ARG 20 HB3 ARG 20 49.784 23.016 10.417 158 HG2 ARG 20 HG2 ARG 20 47.915 24.350 9.406 159 HG3 ARG 20 HG3 ARG 20 46.968 24.045 10.863 160 HD2 ARG 20 HD2 ARG 20 49.634 25.480 10.725 161 HD3 ARG 20 HD3 ARG 20 48.068 26.218 11.040 162 HE ARG 20 HE ARG 20 48.451 24.216 12.956 163 HH11 ARG 20 HH11 ARG 20 49.925 27.283 12.091 164 HH12 ARG 20 HH12 ARG 20 50.473 27.589 13.705 165 HH21 ARG 20 HH21 ARG 20 49.185 24.663 15.016 166 HH22 ARG 20 HH22 ARG 20 50.059 26.124 15.339 167 H LEU 21 H LEU 21 48.458 20.201 11.912 168 HA LEU 21 HA LEU 21 50.916 19.000 11.203 169 HB2 LEU 21 HB2 LEU 21 48.782 18.176 13.172 170 HB3 LEU 21 HB3 LEU 21 50.315 17.319 12.999 171 HG LEU 21 HG LEU 21 50.151 20.298 13.509 172 HD11 LEU 21 HD11 LEU 21 50.961 19.425 15.873 173 HD12 LEU 21 HD12 LEU 21 50.093 17.966 15.397 174 HD13 LEU 21 HD13 LEU 21 49.241 19.505 15.497 175 HD21 LEU 21 HD21 LEU 21 52.319 18.222 13.372 176 HD22 LEU 21 HD22 LEU 21 52.532 19.597 14.454 177 HD23 LEU 21 HD23 LEU 21 52.303 19.863 12.725 178 H ARG 22 H ARG 22 47.570 17.949 10.709 179 HA ARG 22 HA ARG 22 48.158 15.361 9.749 180 HB2 ARG 22 HB2 ARG 22 45.900 16.125 10.459 181 HB3 ARG 22 HB3 ARG 22 45.818 17.140 9.022 182 HG2 ARG 22 HG2 ARG 22 44.660 15.158 8.428 183 HG3 ARG 22 HG3 ARG 22 46.244 14.983 7.678 184 HD2 ARG 22 HD2 ARG 22 46.989 13.631 9.629 185 HD3 ARG 22 HD3 ARG 22 45.373 13.766 10.314 186 HE ARG 22 HE ARG 22 46.196 12.070 8.119 187 HH11 ARG 22 HH11 ARG 22 43.449 13.634 9.648 188 HH12 ARG 22 HH12 ARG 22 42.310 12.520 8.969 189 HH21 ARG 22 HH21 ARG 22 44.682 10.668 7.273 190 HH22 ARG 22 HH22 ARG 22 43.001 10.862 7.641 191 H GLY 23 H GLY 23 47.796 18.465 8.058 192 HA2 GLY 23 HA2 GLY 23 47.901 17.491 5.433 193 HA3 GLY 23 HA3 GLY 23 48.370 19.112 5.928 194 H GLN 24 H GLN 24 50.496 18.160 7.727 195 HA GLN 24 HA GLN 24 52.536 17.753 5.702 196 HB2 GLN 24 HB2 GLN 24 52.724 18.230 8.674 197 HB3 GLN 24 HB3 GLN 24 54.118 18.073 7.601 198 HG2 GLN 24 HG2 GLN 24 53.331 19.965 6.260 199 HG3 GLN 24 HG3 GLN 24 51.896 20.109 7.271 200 HE21 GLN 24 HE21 GLN 24 53.781 22.257 6.955 201 HE22 GLN 24 HE22 GLN 24 54.529 22.523 8.455 202 H GLY 25 H GLY 25 50.644 15.505 7.094 203 HA2 GLY 25 HA2 GLY 25 50.970 13.211 6.674 204 HA3 GLY 25 HA3 GLY 25 52.702 13.486 6.615 205 H VAL 26 H VAL 26 51.147 14.903 9.353 206 HA VAL 26 HA VAL 26 52.218 12.754 11.057 207 HB VAL 26 HB VAL 26 51.293 15.537 11.820 208 HG11 VAL 26 HG11 VAL 26 52.954 13.529 13.369 209 HG12 VAL 26 HG12 VAL 26 51.223 13.770 13.613 210 HG13 VAL 26 HG13 VAL 26 52.352 15.082 13.951 211 HG21 VAL 26 HG21 VAL 26 53.253 15.751 10.436 212 HG22 VAL 26 HG22 VAL 26 54.039 14.393 11.242 213 HG23 VAL 26 HG23 VAL 26 53.788 15.909 12.109 214 H GLN 27 H GLN 27 50.931 11.574 12.399 215 HA GLN 27 HA GLN 27 48.073 11.615 11.938 216 HB2 GLN 27 HB2 GLN 27 49.732 10.009 13.898 217 HB3 GLN 27 HB3 GLN 27 48.032 9.731 13.527 218 HG2 GLN 27 HG2 GLN 27 48.678 9.376 11.128 219 HG3 GLN 27 HG3 GLN 27 50.370 9.486 11.615 220 HE21 GLN 27 HE21 GLN 27 51.319 7.652 12.667 221 HE22 GLN 27 HE22 GLN 27 50.470 6.207 12.929 222 H VAL 28 H VAL 28 46.609 12.704 13.141 223 HA VAL 28 HA VAL 28 47.620 14.072 15.576 224 HB VAL 28 HB VAL 28 45.585 15.095 13.583 225 HG11 VAL 28 HG11 VAL 28 47.015 16.556 15.817 226 HG12 VAL 28 HG12 VAL 28 45.399 15.871 15.992 227 HG13 VAL 28 HG13 VAL 28 45.691 17.151 14.819 228 HG21 VAL 28 HG21 VAL 28 47.314 16.619 12.827 229 HG22 VAL 28 HG22 VAL 28 47.947 14.979 12.708 230 HG23 VAL 28 HG23 VAL 28 48.438 16.018 14.045 231 H ASP 29 H ASP 29 46.574 13.690 17.396 232 HA ASP 29 HA ASP 29 43.662 13.221 17.280 233 HB2 ASP 29 HB2 ASP 29 44.865 11.053 17.668 234 HB3 ASP 29 HB3 ASP 29 45.533 11.745 19.145 235 H TYR 30 H TYR 30 42.542 14.489 18.674 236 HA TYR 30 HA TYR 30 44.106 16.016 20.681 237 HB2 TYR 30 HB2 TYR 30 42.630 17.856 20.346 238 HB3 TYR 30 HB3 TYR 30 43.200 17.331 18.776 239 HD1 TYR 30 HD1 TYR 30 40.372 18.256 20.675 240 HD2 TYR 30 HD2 TYR 30 41.613 15.621 17.519 241 HE1 TYR 30 HE1 TYR 30 38.019 18.052 19.920 242 HE2 TYR 30 HE2 TYR 30 39.262 15.423 16.759 243 HH TYR 30 HH TYR 30 36.652 16.584 18.596 244 H LEU 31 H LEU 31 43.414 16.038 22.771 245 HA LEU 31 HA LEU 31 41.182 14.201 23.381 246 HB2 LEU 31 HB2 LEU 31 43.409 13.429 24.081 247 HB3 LEU 31 HB3 LEU 31 43.620 14.897 25.029 248 HG LEU 31 HG LEU 31 41.387 14.150 26.201 249 HD11 LEU 31 HD11 LEU 31 42.287 11.688 24.727 250 HD12 LEU 31 HD12 LEU 31 40.653 12.319 24.941 251 HD13 LEU 31 HD13 LEU 31 41.480 11.543 26.291 252 HD21 LEU 31 HD21 LEU 31 42.683 12.938 27.850 253 HD22 LEU 31 HD22 LEU 31 43.691 14.232 27.199 254 HD23 LEU 31 HD23 LEU 31 43.932 12.571 26.658 255 HA PRO 32 HA PRO 32 39.471 17.812 25.599 256 HB2 PRO 32 HB2 PRO 32 37.647 16.038 27.039 257 HB3 PRO 32 HB3 PRO 32 37.279 17.272 25.824 258 HG2 PRO 32 HG2 PRO 32 37.016 14.601 25.414 259 HG3 PRO 32 HG3 PRO 32 37.286 15.787 24.127 260 HD2 PRO 32 HD2 PRO 32 39.239 13.898 25.380 261 HD3 PRO 32 HD3 PRO 32 39.129 14.466 23.699 262 H LEU 33 H LEU 33 40.086 18.717 27.514 263 HA LEU 33 HA LEU 33 41.982 17.360 29.100 264 HB2 LEU 33 HB2 LEU 33 40.523 19.907 29.813 265 HB3 LEU 33 HB3 LEU 33 42.065 19.356 30.460 266 HG LEU 33 HG LEU 33 41.507 20.077 27.570 267 HD11 LEU 33 HD11 LEU 33 43.586 21.591 29.038 268 HD12 LEU 33 HD12 LEU 33 41.951 21.836 29.652 269 HD13 LEU 33 HD13 LEU 33 42.312 22.155 27.962 270 HD21 LEU 33 HD21 LEU 33 43.963 19.021 28.969 271 HD22 LEU 33 HD22 LEU 33 44.067 19.892 27.438 272 HD23 LEU 33 HD23 LEU 33 43.166 18.377 27.532 273 H ASP 34 H ASP 34 38.623 17.065 29.258 274 HA ASP 34 HA ASP 34 38.351 16.915 32.115 275 HB2 ASP 34 HB2 ASP 34 36.520 16.048 29.877 276 HB3 ASP 34 HB3 ASP 34 36.087 16.042 31.585 277 H TYR 35 H TYR 35 39.673 14.692 29.875 278 HA TYR 35 HA TYR 35 38.578 12.276 30.843 279 HB2 TYR 35 HB2 TYR 35 40.957 13.032 29.241 280 HB3 TYR 35 HB3 TYR 35 40.978 11.444 29.986 281 HD1 TYR 35 HD1 TYR 35 39.999 9.656 28.876 282 HD2 TYR 35 HD2 TYR 35 38.751 13.655 27.924 283 HE1 TYR 35 HE1 TYR 35 38.556 8.774 27.062 284 HE2 TYR 35 HE2 TYR 35 37.308 12.771 26.111 285 HH TYR 35 HH TYR 35 37.289 10.617 24.689 286 HA PRO 36 HA PRO 36 40.608 11.957 34.731 287 HB2 PRO 36 HB2 PRO 36 40.534 9.306 35.244 288 HB3 PRO 36 HB3 PRO 36 39.061 10.295 35.186 289 HG2 PRO 36 HG2 PRO 36 40.177 8.451 33.140 290 HG3 PRO 36 HG3 PRO 36 38.492 8.726 33.616 291 HD2 PRO 36 HD2 PRO 36 39.656 9.843 31.373 292 HD3 PRO 36 HD3 PRO 36 38.246 10.520 32.210 293 H ALA 37 H ALA 37 42.518 11.334 35.842 294 HA ALA 37 HA ALA 37 44.866 11.311 34.355 295 HB1 ALA 37 HB1 ALA 37 46.017 10.948 36.403 296 HB2 ALA 37 HB2 ALA 37 44.631 10.126 37.120 297 HB3 ALA 37 HB3 ALA 37 44.570 11.864 36.825 298 H GLY 38 H GLY 38 46.448 9.698 33.969 299 HA2 GLY 38 HA2 GLY 38 47.173 7.438 33.807 300 HA3 GLY 38 HA3 GLY 38 45.519 6.911 34.094 301 H GLU 39 H GLU 39 44.302 8.721 32.142 302 HA GLU 39 HA GLU 39 44.358 7.017 29.907 303 HB2 GLU 39 HB2 GLU 39 43.459 9.899 30.120 304 HB3 GLU 39 HB3 GLU 39 43.118 8.839 28.752 305 HG2 GLU 39 HG2 GLU 39 42.295 8.312 31.621 306 HG3 GLU 39 HG3 GLU 39 41.230 8.904 30.352 307 H LEU 40 H LEU 40 46.090 10.030 30.584 308 HA LEU 40 HA LEU 40 47.109 10.470 27.991 309 HB2 LEU 40 HB2 LEU 40 47.141 12.138 29.845 310 HB3 LEU 40 HB3 LEU 40 48.400 11.188 30.634 311 HG LEU 40 HG LEU 40 49.741 11.418 28.468 312 HD11 LEU 40 HD11 LEU 40 48.093 12.090 26.894 313 HD12 LEU 40 HD12 LEU 40 49.046 13.544 27.192 314 HD13 LEU 40 HD13 LEU 40 47.472 13.347 27.963 315 HD21 LEU 40 HD21 LEU 40 49.068 13.983 29.942 316 HD22 LEU 40 HD22 LEU 40 50.573 13.618 29.098 317 HD23 LEU 40 HD23 LEU 40 50.147 12.733 30.563 318 H LEU 41 H LEU 41 48.475 8.737 30.786 319 HA LEU 41 HA LEU 41 50.986 8.194 29.627 320 HB2 LEU 41 HB2 LEU 41 50.436 7.981 32.056 321 HB3 LEU 41 HB3 LEU 41 49.523 6.520 31.680 322 HG LEU 41 HG LEU 41 51.678 5.660 30.568 323 HD11 LEU 41 HD11 LEU 41 53.028 7.575 30.360 324 HD12 LEU 41 HD12 LEU 41 53.719 6.751 31.757 325 HD13 LEU 41 HD13 LEU 41 52.647 8.132 31.990 326 HD21 LEU 41 HD21 LEU 41 51.134 4.579 32.563 327 HD22 LEU 41 HD22 LEU 41 51.230 6.062 33.511 328 HD23 LEU 41 HD23 LEU 41 52.707 5.269 32.960 329 H ALA 42 H ALA 42 47.960 6.331 29.641 330 HA ALA 42 HA ALA 42 49.037 3.968 28.547 331 HB1 ALA 42 HB1 ALA 42 46.818 3.236 28.300 332 HB2 ALA 42 HB2 ALA 42 46.212 4.871 28.034 333 HB3 ALA 42 HB3 ALA 42 46.725 4.372 29.646 334 H ARG 43 H ARG 43 47.461 6.752 26.978 335 HA ARG 43 HA ARG 43 47.565 5.725 24.353 336 HB2 ARG 43 HB2 ARG 43 46.226 7.717 25.047 337 HB3 ARG 43 HB3 ARG 43 47.727 8.637 25.162 338 HG2 ARG 43 HG2 ARG 43 48.204 8.129 22.782 339 HG3 ARG 43 HG3 ARG 43 46.671 7.266 22.672 340 HD2 ARG 43 HD2 ARG 43 45.488 9.363 23.330 341 HD3 ARG 43 HD3 ARG 43 47.035 10.207 23.306 342 HE ARG 43 HE ARG 43 46.840 10.315 21.016 343 HH11 ARG 43 HH11 ARG 43 44.844 7.642 22.112 344 HH12 ARG 43 HH12 ARG 43 44.284 7.277 20.515 345 HH21 ARG 43 HH21 ARG 43 46.085 9.794 18.984 346 HH22 ARG 43 HH22 ARG 43 44.975 8.482 18.768 347 H VAL 44 H VAL 44 49.924 7.617 26.216 348 HA VAL 44 HA VAL 44 51.685 8.179 24.105 349 HB VAL 44 HB VAL 44 52.277 7.771 27.050 350 HG11 VAL 44 HG11 VAL 44 54.349 7.642 25.756 351 HG12 VAL 44 HG12 VAL 44 54.275 9.194 26.590 352 HG13 VAL 44 HG13 VAL 44 53.913 9.102 24.866 353 HG21 VAL 44 HG21 VAL 44 50.602 9.600 26.127 354 HG22 VAL 44 HG22 VAL 44 52.084 10.428 25.659 355 HG23 VAL 44 HG23 VAL 44 51.795 10.028 27.352 356 H ARG 45 H ARG 45 51.550 5.410 26.330 357 HA ARG 45 HA ARG 45 53.925 4.188 25.332 358 HB2 ARG 45 HB2 ARG 45 52.961 3.777 27.590 359 HB3 ARG 45 HB3 ARG 45 51.642 2.891 26.829 360 HG2 ARG 45 HG2 ARG 45 53.294 1.341 25.811 361 HG3 ARG 45 HG3 ARG 45 54.589 2.203 26.641 362 HD2 ARG 45 HD2 ARG 45 53.479 1.688 28.818 363 HD3 ARG 45 HD3 ARG 45 52.287 0.727 27.947 364 HE ARG 45 HE ARG 45 55.072 0.027 28.448 365 HH11 ARG 45 HH11 ARG 45 52.164 -0.721 26.630 366 HH12 ARG 45 HH12 ARG 45 52.686 -2.332 26.266 367 HH21 ARG 45 HH21 ARG 45 55.690 -2.056 27.948 368 HH22 ARG 45 HH22 ARG 45 54.658 -3.077 27.004 369 H ALA 46 H ALA 46 50.464 3.476 24.756 370 HA ALA 46 HA ALA 46 50.963 1.133 23.253 371 HB1 ALA 46 HB1 ALA 46 48.495 2.846 23.014 372 HB2 ALA 46 HB2 ALA 46 48.802 1.824 24.418 373 HB3 ALA 46 HB3 ALA 46 48.637 1.099 22.818 374 H GLU 47 H GLU 47 50.241 4.478 22.219 375 HA GLU 47 HA GLU 47 50.591 3.698 19.436 376 HB2 GLU 47 HB2 GLU 47 49.781 6.271 20.764 377 HB3 GLU 47 HB3 GLU 47 50.105 6.162 19.034 378 HG2 GLU 47 HG2 GLU 47 47.760 5.807 19.271 379 HG3 GLU 47 HG3 GLU 47 48.460 4.222 18.971 380 H ARG 48 H ARG 48 52.720 4.663 21.878 381 HA ARG 48 HA ARG 48 54.907 5.367 21.841 382 HB2 ARG 48 HB2 ARG 48 54.998 3.429 20.216 383 HB3 ARG 48 HB3 ARG 48 54.844 4.608 18.913 384 HG2 ARG 48 HG2 ARG 48 56.881 5.766 19.749 385 HG3 ARG 48 HG3 ARG 48 57.047 4.533 20.996 386 HD2 ARG 48 HD2 ARG 48 57.174 2.798 19.209 387 HD3 ARG 48 HD3 ARG 48 57.130 4.079 18.003 388 HE ARG 48 HE ARG 48 59.401 3.261 19.525 389 HH11 ARG 48 HH11 ARG 48 57.916 6.126 18.138 390 HH12 ARG 48 HH12 ARG 48 59.424 6.972 18.022 391 HH21 ARG 48 HH21 ARG 48 61.310 4.400 19.349 392 HH22 ARG 48 HH22 ARG 48 61.320 6.005 18.699 393 H LEU 49 H LEU 49 53.403 7.451 21.912 394 HA LEU 49 HA LEU 49 53.235 9.135 19.654 395 HB2 LEU 49 HB2 LEU 49 53.261 9.844 22.596 396 HB3 LEU 49 HB3 LEU 49 52.844 10.964 21.302 397 HG LEU 49 HG LEU 49 51.410 8.339 21.802 398 HD11 LEU 49 HD11 LEU 49 51.252 10.277 23.565 399 HD12 LEU 49 HD12 LEU 49 49.769 9.512 22.996 400 HD13 LEU 49 HD13 LEU 49 50.267 11.071 22.337 401 HD21 LEU 49 HD21 LEU 49 51.108 10.628 19.873 402 HD22 LEU 49 HD22 LEU 49 49.679 9.721 20.371 403 HD23 LEU 49 HD23 LEU 49 51.010 8.895 19.562 404 H ASN 50 H ASN 50 54.474 10.789 18.911 405 HA ASN 50 HA ASN 50 57.309 10.662 19.596 406 HB2 ASN 50 HB2 ASN 50 55.775 12.023 17.378 407 HB3 ASN 50 HB3 ASN 50 57.508 12.220 17.617 408 HD21 ASN 50 HD21 ASN 50 58.872 10.580 16.826 409 HD22 ASN 50 HD22 ASN 50 58.303 9.151 16.114 410 H GLY 51 H GLY 51 54.602 12.966 19.573 411 HA2 GLY 51 HA2 GLY 51 56.158 14.736 21.319 412 HA3 GLY 51 HA3 GLY 51 55.685 15.394 19.764 413 H LEU 52 H LEU 52 54.988 16.559 22.118 414 HA LEU 52 HA LEU 52 52.045 16.213 22.159 415 HB2 LEU 52 HB2 LEU 52 53.799 17.042 24.486 416 HB3 LEU 52 HB3 LEU 52 52.046 16.862 24.514 417 HG LEU 52 HG LEU 52 53.998 14.622 23.901 418 HD11 LEU 52 HD11 LEU 52 52.403 15.253 26.404 419 HD12 LEU 52 HD12 LEU 52 54.158 15.323 26.247 420 HD13 LEU 52 HD13 LEU 52 53.325 13.773 26.139 421 HD21 LEU 52 HD21 LEU 52 51.916 13.233 24.287 422 HD22 LEU 52 HD22 LEU 52 51.865 14.231 22.834 423 HD23 LEU 52 HD23 LEU 52 50.992 14.736 24.282 424 H VAL 53 H VAL 53 50.844 18.099 22.022 425 HA VAL 53 HA VAL 53 52.376 20.623 21.711 426 HB VAL 53 HB VAL 53 49.850 19.798 20.250 427 HG11 VAL 53 HG11 VAL 53 50.090 22.241 20.641 428 HG12 VAL 53 HG12 VAL 53 50.227 21.829 18.931 429 HG13 VAL 53 HG13 VAL 53 51.675 22.191 19.870 430 HG21 VAL 53 HG21 VAL 53 52.150 18.671 19.636 431 HG22 VAL 53 HG22 VAL 53 52.522 20.247 18.943 432 HG23 VAL 53 HG23 VAL 53 51.138 19.332 18.356 433 H VAL 54 H VAL 54 51.784 22.242 23.054 434 HA VAL 54 HA VAL 54 49.009 22.237 24.102 435 HB VAL 54 HB VAL 54 49.937 23.545 26.059 436 HG11 VAL 54 HG11 VAL 54 50.932 21.341 27.071 437 HG12 VAL 54 HG12 VAL 54 50.418 20.635 25.537 438 HG13 VAL 54 HG13 VAL 54 49.235 21.409 26.593 439 HG21 VAL 54 HG21 VAL 54 52.570 22.232 25.413 440 HG22 VAL 54 HG22 VAL 54 52.230 23.531 26.556 441 HG23 VAL 54 HG23 VAL 54 52.213 23.855 24.823 442 H SER 55 H SER 55 47.846 23.962 23.690 443 HA SER 55 HA SER 55 49.048 26.176 22.240 444 HB2 SER 55 HB2 SER 55 46.178 25.557 22.950 445 HB3 SER 55 HB3 SER 55 46.695 26.931 21.980 446 HG SER 55 HG SER 55 47.337 25.539 20.452 447 H SER 56 H SER 56 48.158 25.536 25.530 448 HA SER 56 HA SER 56 48.647 28.326 26.220 449 HB2 SER 56 HB2 SER 56 46.551 28.678 27.353 450 HB3 SER 56 HB3 SER 56 46.201 28.188 25.700 451 HG SER 56 HG SER 56 44.994 26.968 27.108 452 H GLY 57 H GLY 57 48.811 28.674 28.542 453 HA2 GLY 57 HA2 GLY 57 50.354 26.763 29.868 454 HA3 GLY 57 HA3 GLY 57 49.542 28.115 30.652 455 H GLN 58 H GLN 58 46.861 27.377 30.012 456 HA GLN 58 HA GLN 58 46.232 25.736 32.193 457 HB2 GLN 58 HB2 GLN 58 44.666 27.326 31.058 458 HB3 GLN 58 HB3 GLN 58 44.528 26.171 29.732 459 HG2 GLN 58 HG2 GLN 58 42.681 25.703 31.155 460 HG3 GLN 58 HG3 GLN 58 43.867 24.445 31.506 461 HE21 GLN 58 HE21 GLN 58 44.245 24.142 33.700 462 HE22 GLN 58 HE22 GLN 58 44.025 25.325 34.898 463 H GLY 59 H GLY 59 46.419 24.947 28.722 464 HA2 GLY 59 HA2 GLY 59 45.639 22.259 28.903 465 HA3 GLY 59 HA3 GLY 59 46.657 22.935 27.634 466 H LEU 60 H LEU 60 48.847 23.769 29.140 467 HA LEU 60 HA LEU 60 50.392 21.436 29.247 468 HB2 LEU 60 HB2 LEU 60 51.301 23.733 28.998 469 HB3 LEU 60 HB3 LEU 60 50.908 24.050 30.687 470 HG LEU 60 HG LEU 60 52.346 22.079 31.316 471 HD11 LEU 60 HD11 LEU 60 52.411 20.799 29.312 472 HD12 LEU 60 HD12 LEU 60 54.036 21.463 29.483 473 HD13 LEU 60 HD13 LEU 60 52.900 22.191 28.347 474 HD21 LEU 60 HD21 LEU 60 54.380 23.320 31.196 475 HD22 LEU 60 HD22 LEU 60 53.100 24.533 31.230 476 HD23 LEU 60 HD23 LEU 60 53.888 24.125 29.705 477 H GLN 61 H GLN 61 48.823 23.263 31.851 478 HA GLN 61 HA GLN 61 49.813 21.745 34.006 479 HB2 GLN 61 HB2 GLN 61 47.228 23.292 33.728 480 HB3 GLN 61 HB3 GLN 61 47.835 22.635 35.248 481 HG2 GLN 61 HG2 GLN 61 49.312 24.615 33.489 482 HG3 GLN 61 HG3 GLN 61 48.453 25.019 34.973 483 HE21 GLN 61 HE21 GLN 61 51.527 24.657 33.962 484 HE22 GLN 61 HE22 GLN 61 52.231 23.971 35.345 485 H ASN 62 H ASN 62 46.884 21.358 32.037 486 HA ASN 62 HA ASN 62 45.774 19.184 33.422 487 HB2 ASN 62 HB2 ASN 62 45.636 19.996 30.520 488 HB3 ASN 62 HB3 ASN 62 44.736 18.624 31.166 489 HD21 ASN 62 HD21 ASN 62 44.650 22.017 30.733 490 HD22 ASN 62 HD22 ASN 62 43.325 22.337 31.742 491 H LEU 63 H LEU 63 48.190 19.284 30.834 492 HA LEU 63 HA LEU 63 48.379 16.535 30.322 493 HB2 LEU 63 HB2 LEU 63 49.473 18.362 28.984 494 HB3 LEU 63 HB3 LEU 63 50.662 18.524 30.274 495 HG LEU 63 HG LEU 63 51.035 15.976 29.974 496 HD11 LEU 63 HD11 LEU 63 49.684 16.682 27.351 497 HD12 LEU 63 HD12 LEU 63 49.057 15.572 28.570 498 HD13 LEU 63 HD13 LEU 63 50.529 15.170 27.685 499 HD21 LEU 63 HD21 LEU 63 52.627 17.783 29.295 500 HD22 LEU 63 HD22 LEU 63 51.828 17.852 27.724 501 HD23 LEU 63 HD23 LEU 63 52.679 16.388 28.216 502 H TYR 64 H TYR 64 50.075 18.569 32.674 503 HA TYR 64 HA TYR 64 51.815 16.608 33.692 504 HB2 TYR 64 HB2 TYR 64 51.950 19.076 34.078 505 HB3 TYR 64 HB3 TYR 64 50.595 18.934 35.180 506 HD1 TYR 64 HD1 TYR 64 50.866 17.908 37.382 507 HD2 TYR 64 HD2 TYR 64 54.165 18.224 34.645 508 HE1 TYR 64 HE1 TYR 64 52.449 17.400 39.224 509 HE2 TYR 64 HE2 TYR 64 55.736 17.722 36.479 510 HH TYR 64 HH TYR 64 55.760 16.768 38.651 511 H GLN 65 H GLN 65 48.589 17.635 34.778 512 HA GLN 65 HA GLN 65 48.474 16.017 37.079 513 HB2 GLN 65 HB2 GLN 65 46.246 17.068 35.322 514 HB3 GLN 65 HB3 GLN 65 46.010 16.343 36.914 515 HG2 GLN 65 HG2 GLN 65 47.556 18.066 37.867 516 HG3 GLN 65 HG3 GLN 65 47.625 18.827 36.287 517 HE21 GLN 65 HE21 GLN 65 44.416 17.794 36.520 518 HE22 GLN 65 HE22 GLN 65 43.762 19.191 37.224 519 H LEU 66 H LEU 66 47.401 15.402 33.750 520 HA LEU 66 HA LEU 66 46.276 12.858 34.294 521 HB2 LEU 66 HB2 LEU 66 47.337 13.988 31.692 522 HB3 LEU 66 HB3 LEU 66 46.359 12.529 31.838 523 HG LEU 66 HG LEU 66 45.479 15.284 32.755 524 HD11 LEU 66 HD11 LEU 66 43.819 14.836 30.763 525 HD12 LEU 66 HD12 LEU 66 45.085 13.743 30.201 526 HD13 LEU 66 HD13 LEU 66 45.435 15.457 30.421 527 HD21 LEU 66 HD21 LEU 66 44.248 13.741 34.029 528 HD22 LEU 66 HD22 LEU 66 44.228 12.543 32.735 529 HD23 LEU 66 HD23 LEU 66 43.210 13.980 32.624 530 H ALA 67 H ALA 67 49.536 13.864 33.390 531 HA ALA 67 HA ALA 67 50.650 11.354 32.851 532 HB1 ALA 67 HB1 ALA 67 51.876 13.400 32.408 533 HB2 ALA 67 HB2 ALA 67 52.799 12.420 33.548 534 HB3 ALA 67 HB3 ALA 67 51.880 13.810 34.123 535 H ALA 68 H ALA 68 50.213 13.077 35.927 536 HA ALA 68 HA ALA 68 50.110 12.294 38.083 537 HB1 ALA 68 HB1 ALA 68 48.804 10.428 38.333 538 HB2 ALA 68 HB2 ALA 68 49.753 9.477 37.192 539 HB3 ALA 68 HB3 ALA 68 48.574 10.646 36.597 540 H ALA 69 H ALA 69 51.090 9.310 38.602 541 HA ALA 69 HA ALA 69 53.603 10.092 39.582 542 HB1 ALA 69 HB1 ALA 69 52.731 7.262 38.995 543 HB2 ALA 69 HB2 ALA 69 52.174 8.181 40.393 544 HB3 ALA 69 HB3 ALA 69 53.888 7.807 40.210 545 H ASP 70 H ASP 70 52.724 9.137 36.367 546 HA ASP 70 HA ASP 70 55.396 8.088 35.773 547 HB2 ASP 70 HB2 ASP 70 52.913 8.312 34.068 548 HB3 ASP 70 HB3 ASP 70 54.427 7.563 33.562 549 H TRP 71 H TRP 71 54.387 11.158 36.061 550 HA TRP 71 HA TRP 71 54.884 12.498 33.728 551 HB2 TRP 71 HB2 TRP 71 54.146 13.691 35.618 552 HB3 TRP 71 HB3 TRP 71 55.524 13.208 36.573 553 HD1 TRP 71 HD1 TRP 71 57.247 15.009 36.876 554 HE1 TRP 71 HE1 TRP 71 57.941 17.144 35.614 555 HE3 TRP 71 HE3 TRP 71 54.187 14.678 32.792 556 HZ2 TRP 71 HZ2 TRP 71 57.319 18.516 33.192 557 HZ3 TRP 71 HZ3 TRP 71 54.270 16.408 31.024 558 HH2 TRP 71 HH2 TRP 71 55.833 18.325 31.216 559 HA PRO 72 HA PRO 72 59.768 12.390 34.748 560 HB2 PRO 72 HB2 PRO 72 59.628 9.477 35.443 561 HB3 PRO 72 HB3 PRO 72 60.803 10.705 35.958 562 HG2 PRO 72 HG2 PRO 72 58.850 9.895 37.569 563 HG3 PRO 72 HG3 PRO 72 59.406 11.578 37.549 564 HD2 PRO 72 HD2 PRO 72 56.865 10.445 36.541 565 HD3 PRO 72 HD3 PRO 72 57.238 12.104 37.055 566 H GLU 73 H GLU 73 57.837 9.619 33.543 567 HA GLU 73 HA GLU 73 59.735 9.049 31.437 568 HB2 GLU 73 HB2 GLU 73 56.937 8.028 31.964 569 HB3 GLU 73 HB3 GLU 73 57.978 7.451 30.663 570 HG2 GLU 73 HG2 GLU 73 58.339 5.910 32.419 571 HG3 GLU 73 HG3 GLU 73 59.724 6.992 32.493 572 H ILE 74 H ILE 74 56.472 10.447 31.622 573 HA ILE 74 HA ILE 74 56.094 10.814 28.862 574 HB ILE 74 HB ILE 74 54.930 12.348 31.202 575 HG12 ILE 74 HG12 ILE 74 53.775 10.060 29.588 576 HG13 ILE 74 HG13 ILE 74 54.627 9.828 31.111 577 HG21 ILE 74 HG21 ILE 74 53.158 13.022 29.699 578 HG22 ILE 74 HG22 ILE 74 53.843 12.066 28.383 579 HG23 ILE 74 HG23 ILE 74 54.689 13.500 28.968 580 HD11 ILE 74 HD11 ILE 74 52.914 10.694 32.361 581 HD12 ILE 74 HD12 ILE 74 51.960 10.146 30.984 582 HD13 ILE 74 HD13 ILE 74 52.425 11.840 31.114 583 H GLY 75 H GLY 75 57.606 12.886 31.275 584 HA2 GLY 75 HA2 GLY 75 57.743 15.274 29.802 585 HA3 GLY 75 HA3 GLY 75 58.794 14.837 31.138 586 H ARG 76 H ARG 76 59.471 12.348 29.322 587 HA ARG 76 HA ARG 76 61.928 13.325 28.327 588 HB2 ARG 76 HB2 ARG 76 60.403 10.785 27.709 589 HB3 ARG 76 HB3 ARG 76 62.087 11.085 27.271 590 HG2 ARG 76 HG2 ARG 76 62.678 11.380 29.624 591 HG3 ARG 76 HG3 ARG 76 60.996 11.163 30.099 592 HD2 ARG 76 HD2 ARG 76 62.128 9.074 30.452 593 HD3 ARG 76 HD3 ARG 76 61.082 8.877 29.049 594 HE ARG 76 HE ARG 76 63.692 9.709 28.257 595 HH11 ARG 76 HH11 ARG 76 61.954 6.868 29.372 596 HH12 ARG 76 HH12 ARG 76 63.048 5.772 28.595 597 HH21 ARG 76 HH21 ARG 76 65.065 8.248 27.279 598 HH22 ARG 76 HH22 ARG 76 64.787 6.545 27.426 599 H LEU 77 H LEU 77 58.743 13.084 26.869 600 HA LEU 77 HA LEU 77 59.716 13.046 24.171 601 HB2 LEU 77 HB2 LEU 77 56.951 13.503 25.305 602 HB3 LEU 77 HB3 LEU 77 57.307 13.358 23.582 603 HG LEU 77 HG LEU 77 58.248 11.232 25.488 604 HD11 LEU 77 HD11 LEU 77 55.823 11.553 25.914 605 HD12 LEU 77 HD12 LEU 77 56.147 10.012 25.121 606 HD13 LEU 77 HD13 LEU 77 55.509 11.367 24.190 607 HD21 LEU 77 HD21 LEU 77 57.839 9.865 23.380 608 HD22 LEU 77 HD22 LEU 77 59.107 11.083 23.248 609 HD23 LEU 77 HD23 LEU 77 57.516 11.388 22.552 610 HA PRO 78 HA PRO 78 60.165 17.445 23.497 611 HB2 PRO 78 HB2 PRO 78 59.108 17.680 20.929 612 HB3 PRO 78 HB3 PRO 78 60.771 17.191 21.307 613 HG2 PRO 78 HG2 PRO 78 58.416 15.513 20.628 614 HG3 PRO 78 HG3 PRO 78 60.114 15.335 20.145 615 HD2 PRO 78 HD2 PRO 78 59.060 13.792 22.084 616 HD3 PRO 78 HD3 PRO 78 60.740 14.365 22.170 617 H LEU 79 H LEU 79 58.918 19.007 24.344 618 HA LEU 79 HA LEU 79 56.002 18.951 23.854 619 HB2 LEU 79 HB2 LEU 79 56.800 18.964 26.221 620 HB3 LEU 79 HB3 LEU 79 57.555 20.529 25.917 621 HG LEU 79 HG LEU 79 55.249 21.332 25.149 622 HD11 LEU 79 HD11 LEU 79 54.594 18.627 26.306 623 HD12 LEU 79 HD12 LEU 79 54.025 19.349 24.800 624 HD13 LEU 79 HD13 LEU 79 53.410 19.935 26.347 625 HD21 LEU 79 HD21 LEU 79 54.725 22.022 27.320 626 HD22 LEU 79 HD22 LEU 79 56.429 21.598 27.483 627 HD23 LEU 79 HD23 LEU 79 55.185 20.473 28.029 628 H PHE 80 H PHE 80 55.183 20.371 22.447 629 HA PHE 80 HA PHE 80 56.792 22.633 21.508 630 HB2 PHE 80 HB2 PHE 80 54.036 21.689 20.692 631 HB3 PHE 80 HB3 PHE 80 54.937 22.972 19.923 632 HD1 PHE 80 HD1 PHE 80 54.187 19.491 19.961 633 HD2 PHE 80 HD2 PHE 80 57.212 22.324 18.833 634 HE1 PHE 80 HE1 PHE 80 55.137 17.842 18.374 635 HE2 PHE 80 HE2 PHE 80 58.164 20.671 17.247 636 HZ PHE 80 HZ PHE 80 57.115 18.436 17.006 637 H VAL 81 H VAL 81 56.549 24.619 22.399 638 HA VAL 81 HA VAL 81 53.974 25.270 23.717 639 HB VAL 81 HB VAL 81 55.207 26.825 25.137 640 HG11 VAL 81 HG11 VAL 81 54.924 24.455 25.821 641 HG12 VAL 81 HG12 VAL 81 56.402 25.160 26.475 642 HG13 VAL 81 HG13 VAL 81 56.482 24.075 25.088 643 HG21 VAL 81 HG21 VAL 81 57.446 26.088 23.299 644 HG22 VAL 81 HG22 VAL 81 57.856 26.350 24.991 645 HG23 VAL 81 HG23 VAL 81 57.079 27.631 24.063 646 HA PRO 82 HA PRO 82 53.589 28.307 20.576 647 HB2 PRO 82 HB2 PRO 82 51.754 30.002 21.603 648 HB3 PRO 82 HB3 PRO 82 51.353 28.332 21.156 649 HG2 PRO 82 HG2 PRO 82 51.832 29.508 23.836 650 HG3 PRO 82 HG3 PRO 82 50.689 28.249 23.338 651 HD2 PRO 82 HD2 PRO 82 53.135 27.770 24.579 652 HD3 PRO 82 HD3 PRO 82 52.213 26.575 23.645 653 H SER 83 H SER 83 54.662 29.399 23.723 654 HA SER 83 HA SER 83 55.809 31.811 22.506 655 HB2 SER 83 HB2 SER 83 54.808 33.322 24.024 656 HB3 SER 83 HB3 SER 83 53.490 32.291 23.482 657 HG SER 83 HG SER 83 53.935 32.668 25.852 658 HA PRO 84 HA PRO 84 59.262 31.110 25.206 659 HB2 PRO 84 HB2 PRO 84 59.057 33.909 26.206 660 HB3 PRO 84 HB3 PRO 84 60.435 33.070 25.467 661 HG2 PRO 84 HG2 PRO 84 59.042 34.901 24.133 662 HG3 PRO 84 HG3 PRO 84 59.708 33.467 23.330 663 HD2 PRO 84 HD2 PRO 84 56.877 34.043 24.099 664 HD3 PRO 84 HD3 PRO 84 57.509 33.141 22.704 665 H ARG 85 H ARG 85 56.674 33.087 26.679 666 HA ARG 85 HA ARG 85 57.284 32.579 29.364 667 HB2 ARG 85 HB2 ARG 85 55.652 34.283 28.558 668 HB3 ARG 85 HB3 ARG 85 54.525 32.977 28.187 669 HG2 ARG 85 HG2 ARG 85 54.605 32.258 30.562 670 HG3 ARG 85 HG3 ARG 85 55.675 33.614 30.920 671 HD2 ARG 85 HD2 ARG 85 53.909 35.171 30.084 672 HD3 ARG 85 HD3 ARG 85 52.837 33.789 29.876 673 HE ARG 85 HE ARG 85 53.691 33.643 32.491 674 HH11 ARG 85 HH11 ARG 85 52.010 36.063 30.583 675 HH12 ARG 85 HH12 ARG 85 51.166 36.702 31.953 676 HH21 ARG 85 HH21 ARG 85 52.576 34.507 34.219 677 HH22 ARG 85 HH22 ARG 85 51.483 35.831 33.986 678 H VAL 86 H VAL 86 55.047 30.835 27.188 679 HA VAL 86 HA VAL 86 54.235 28.883 29.040 680 HB VAL 86 HB VAL 86 54.539 28.601 26.037 681 HG11 VAL 86 HG11 VAL 86 54.195 26.421 26.933 682 HG12 VAL 86 HG12 VAL 86 52.592 26.967 26.442 683 HG13 VAL 86 HG13 VAL 86 53.058 27.014 28.142 684 HG21 VAL 86 HG21 VAL 86 52.266 29.374 25.888 685 HG22 VAL 86 HG22 VAL 86 53.132 30.544 26.884 686 HG23 VAL 86 HG23 VAL 86 52.080 29.348 27.642 687 H ALA 87 H ALA 87 57.018 28.994 26.846 688 HA ALA 87 HA ALA 87 57.969 26.390 27.200 689 HB1 ALA 87 HB1 ALA 87 59.893 28.672 27.003 690 HB2 ALA 87 HB2 ALA 87 58.776 28.386 25.668 691 HB3 ALA 87 HB3 ALA 87 59.903 27.122 26.162 692 H GLU 88 H GLU 88 58.555 29.326 29.096 693 HA GLU 88 HA GLU 88 60.463 28.255 30.866 694 HB2 GLU 88 HB2 GLU 88 58.420 30.444 31.316 695 HB3 GLU 88 HB3 GLU 88 59.784 30.105 32.383 696 HG2 GLU 88 HG2 GLU 88 60.002 30.830 29.449 697 HG3 GLU 88 HG3 GLU 88 60.294 31.933 30.788 698 H MET 89 H MET 89 56.918 28.360 31.041 699 HA MET 89 HA MET 89 56.614 27.278 33.614 700 HB2 MET 89 HB2 MET 89 54.841 26.980 31.176 701 HB3 MET 89 HB3 MET 89 54.363 26.571 32.823 702 HG2 MET 89 HG2 MET 89 54.888 28.936 33.494 703 HG3 MET 89 HG3 MET 89 55.159 29.306 31.791 704 HE1 MET 89 HE1 MET 89 52.864 28.404 34.591 705 HE2 MET 89 HE2 MET 89 52.468 26.978 33.635 706 HE3 MET 89 HE3 MET 89 51.246 28.220 33.901 707 H ALA 90 H ALA 90 56.879 25.687 30.459 708 HA ALA 90 HA ALA 90 56.490 23.043 31.336 709 HB1 ALA 90 HB1 ALA 90 57.889 24.256 28.967 710 HB2 ALA 90 HB2 ALA 90 56.381 23.343 29.015 711 HB3 ALA 90 HB3 ALA 90 57.922 22.514 29.239 712 H ARG 91 H ARG 91 59.430 25.004 31.080 713 HA ARG 91 HA ARG 91 61.287 22.995 31.721 714 HB2 ARG 91 HB2 ARG 91 61.870 25.256 30.835 715 HB3 ARG 91 HB3 ARG 91 61.470 25.937 32.413 716 HG2 ARG 91 HG2 ARG 91 63.190 24.555 33.477 717 HG3 ARG 91 HG3 ARG 91 63.566 23.799 31.928 718 HD2 ARG 91 HD2 ARG 91 65.202 25.529 32.296 719 HD3 ARG 91 HD3 ARG 91 64.111 26.091 31.033 720 HE ARG 91 HE ARG 91 63.255 26.918 33.643 721 HH11 ARG 91 HH11 ARG 91 65.490 27.729 31.060 722 HH12 ARG 91 HH12 ARG 91 65.571 29.397 31.519 723 HH21 ARG 91 HH21 ARG 91 63.401 29.075 34.186 724 HH22 ARG 91 HH22 ARG 91 64.403 30.148 33.267 725 H GLU 92 H GLU 92 59.476 25.236 33.804 726 HA GLU 92 HA GLU 92 60.703 24.543 36.234 727 HB2 GLU 92 HB2 GLU 92 57.889 25.509 35.690 728 HB3 GLU 92 HB3 GLU 92 58.624 25.425 37.291 729 HG2 GLU 92 HG2 GLU 92 60.449 26.918 36.501 730 HG3 GLU 92 HG3 GLU 92 59.644 27.050 34.944 731 H LEU 93 H LEU 93 57.976 23.068 34.522 732 HA LEU 93 HA LEU 93 57.259 21.220 36.536 733 HB2 LEU 93 HB2 LEU 93 57.030 20.882 33.539 734 HB3 LEU 93 HB3 LEU 93 56.189 19.926 34.751 735 HG LEU 93 HG LEU 93 55.864 22.909 34.296 736 HD11 LEU 93 HD11 LEU 93 54.764 21.681 32.554 737 HD12 LEU 93 HD12 LEU 93 53.508 22.116 33.715 738 HD13 LEU 93 HD13 LEU 93 54.166 20.478 33.698 739 HD21 LEU 93 HD21 LEU 93 55.489 22.534 36.628 740 HD22 LEU 93 HD22 LEU 93 54.676 20.998 36.325 741 HD23 LEU 93 HD23 LEU 93 53.886 22.516 35.894 742 H GLY 94 H GLY 94 59.978 21.235 34.354 743 HA2 GLY 94 HA2 GLY 94 61.835 19.764 34.806 744 HA3 GLY 94 HA3 GLY 94 60.691 18.522 35.284 745 H ALA 95 H ALA 95 59.774 20.222 32.394 746 HA ALA 95 HA ALA 95 59.780 17.885 30.834 747 HB1 ALA 95 HB1 ALA 95 59.899 20.753 29.870 748 HB2 ALA 95 HB2 ALA 95 58.425 19.896 30.318 749 HB3 ALA 95 HB3 ALA 95 59.369 19.356 28.931 750 H GLN 96 H GLN 96 61.349 16.833 29.809 751 HA GLN 96 HA GLN 96 64.054 17.598 30.329 752 HB2 GLN 96 HB2 GLN 96 62.913 15.335 28.673 753 HB3 GLN 96 HB3 GLN 96 64.607 15.498 29.146 754 HG2 GLN 96 HG2 GLN 96 63.930 15.503 31.530 755 HG3 GLN 96 HG3 GLN 96 62.252 15.288 31.044 756 HE21 GLN 96 HE21 GLN 96 62.276 13.207 32.259 757 HE22 GLN 96 HE22 GLN 96 62.993 11.837 31.571 758 H ARG 97 H ARG 97 61.968 17.640 27.478 759 HA ARG 97 HA ARG 97 64.037 19.239 26.092 760 HB2 ARG 97 HB2 ARG 97 63.924 16.931 25.156 761 HB3 ARG 97 HB3 ARG 97 62.220 17.199 24.785 762 HG2 ARG 97 HG2 ARG 97 62.848 19.141 23.375 763 HG3 ARG 97 HG3 ARG 97 64.550 18.815 23.707 764 HD2 ARG 97 HD2 ARG 97 64.257 16.532 22.736 765 HD3 ARG 97 HD3 ARG 97 62.603 16.961 22.309 766 HE ARG 97 HE ARG 97 63.427 18.252 20.565 767 HH11 ARG 97 HH11 ARG 97 66.097 17.396 22.675 768 HH12 ARG 97 HH12 ARG 97 67.291 17.994 21.572 769 HH21 ARG 97 HH21 ARG 97 65.009 19.006 19.186 770 HH22 ARG 97 HH22 ARG 97 66.681 18.894 19.621 771 H VAL 98 H VAL 98 63.257 21.236 25.926 772 HA VAL 98 HA VAL 98 60.353 21.606 25.468 773 HB VAL 98 HB VAL 98 62.354 23.554 26.645 774 HG11 VAL 98 HG11 VAL 98 60.255 24.789 27.269 775 HG12 VAL 98 HG12 VAL 98 59.345 23.648 26.279 776 HG13 VAL 98 HG13 VAL 98 60.535 24.712 25.530 777 HG21 VAL 98 HG21 VAL 98 61.220 23.107 28.777 778 HG22 VAL 98 HG22 VAL 98 61.871 21.605 28.123 779 HG23 VAL 98 HG23 VAL 98 60.148 21.951 27.987 780 H ILE 99 H ILE 99 59.709 22.501 23.629 781 HA ILE 99 HA ILE 99 61.742 23.660 21.817 782 HB ILE 99 HB ILE 99 59.310 21.971 21.165 783 HG12 ILE 99 HG12 ILE 99 62.244 21.353 20.732 784 HG13 ILE 99 HG13 ILE 99 61.354 20.822 22.157 785 HG21 ILE 99 HG21 ILE 99 59.450 23.278 19.275 786 HG22 ILE 99 HG22 ILE 99 60.630 22.042 18.842 787 HG23 ILE 99 HG23 ILE 99 61.172 23.594 19.480 788 HD11 ILE 99 HD11 ILE 99 59.720 19.671 20.671 789 HD12 ILE 99 HD12 ILE 99 61.356 19.035 20.491 790 HD13 ILE 99 HD13 ILE 99 60.697 20.134 19.279 791 H ASP 100 H ASP 100 61.377 25.730 21.294 792 HA ASP 100 HA ASP 100 58.722 26.889 21.749 793 HB2 ASP 100 HB2 ASP 100 60.748 28.064 22.596 794 HB3 ASP 100 HB3 ASP 100 61.303 28.247 20.933 795 H CYS 101 H CYS 101 57.306 26.935 20.109 796 HA CYS 101 HA CYS 101 58.315 26.676 17.364 797 HB2 CYS 101 HB2 CYS 101 56.043 26.050 16.770 798 HB3 CYS 101 HB3 CYS 101 56.603 25.084 18.133 799 HG CYS 101 HG CYS 101 54.887 26.134 19.604 800 H ARG 102 H ARG 102 57.499 29.245 19.328 801 HA ARG 102 HA ARG 102 55.761 30.815 17.816 802 HB2 ARG 102 HB2 ARG 102 56.566 31.359 20.111 803 HB3 ARG 102 HB3 ARG 102 58.131 31.794 19.424 804 HG2 ARG 102 HG2 ARG 102 57.015 33.493 18.000 805 HG3 ARG 102 HG3 ARG 102 55.472 33.088 18.753 806 HD2 ARG 102 HD2 ARG 102 56.449 33.680 20.972 807 HD3 ARG 102 HD3 ARG 102 57.921 34.194 20.154 808 HE ARG 102 HE ARG 102 55.971 35.617 18.892 809 HH11 ARG 102 HH11 ARG 102 56.811 35.242 22.281 810 HH12 ARG 102 HH12 ARG 102 56.231 36.819 22.701 811 HH21 ARG 102 HH21 ARG 102 55.241 37.636 19.494 812 HH22 ARG 102 HH22 ARG 102 55.354 38.156 21.143 813 H GLY 103 H GLY 103 59.266 30.382 17.519 814 HA2 GLY 103 HA2 GLY 103 59.330 32.194 15.212 815 HA3 GLY 103 HA3 GLY 103 60.728 31.497 16.024 816 H ALA 104 H ALA 104 59.720 28.772 16.017 817 HA ALA 104 HA ALA 104 60.632 27.983 13.420 818 HB1 ALA 104 HB1 ALA 104 59.214 26.103 15.271 819 HB2 ALA 104 HB2 ALA 104 60.791 26.745 15.732 820 HB3 ALA 104 HB3 ALA 104 60.618 25.815 14.243 821 H SER 105 H SER 105 59.504 27.277 11.676 822 HA SER 105 HA SER 105 56.652 27.841 11.611 823 HB2 SER 105 HB2 SER 105 56.831 27.566 9.234 824 HB3 SER 105 HB3 SER 105 58.243 28.477 9.758 825 HG SER 105 HG SER 105 59.303 26.899 8.903 826 H ALA 106 H ALA 106 55.172 26.249 10.559 827 HA ALA 106 HA ALA 106 54.904 23.916 11.971 828 HB1 ALA 106 HB1 ALA 106 53.484 23.125 10.027 829 HB2 ALA 106 HB2 ALA 106 53.954 24.610 9.199 830 HB3 ALA 106 HB3 ALA 106 53.056 24.692 10.714 831 HA PRO 107 HA PRO 107 56.961 21.254 8.515 832 HB2 PRO 107 HB2 PRO 107 58.931 22.588 7.042 833 HB3 PRO 107 HB3 PRO 107 57.318 22.143 6.458 834 HG2 PRO 107 HG2 PRO 107 58.322 24.747 7.426 835 HG3 PRO 107 HG3 PRO 107 57.108 24.385 6.188 836 HD2 PRO 107 HD2 PRO 107 56.447 25.286 8.642 837 HD3 PRO 107 HD3 PRO 107 55.391 24.195 7.724 838 H ALA 108 H ALA 108 58.785 23.926 9.954 839 HA ALA 108 HA ALA 108 61.196 22.559 10.452 840 HB1 ALA 108 HB1 ALA 108 61.692 24.293 12.007 841 HB2 ALA 108 HB2 ALA 108 59.983 24.627 12.291 842 HB3 ALA 108 HB3 ALA 108 60.720 25.051 10.745 843 H LEU 109 H LEU 109 58.227 22.850 12.375 844 HA LEU 109 HA LEU 109 59.065 21.409 14.631 845 HB2 LEU 109 HB2 LEU 109 56.285 21.485 13.433 846 HB3 LEU 109 HB3 LEU 109 56.694 21.068 15.095 847 HG LEU 109 HG LEU 109 57.241 23.752 13.793 848 HD11 LEU 109 HD11 LEU 109 54.802 23.076 14.306 849 HD12 LEU 109 HD12 LEU 109 55.378 24.599 14.984 850 HD13 LEU 109 HD13 LEU 109 55.271 23.163 16.003 851 HD21 LEU 109 HD21 LEU 109 57.681 24.419 16.189 852 HD22 LEU 109 HD22 LEU 109 58.869 23.299 15.526 853 HD23 LEU 109 HD23 LEU 109 57.615 22.710 16.616 854 H LEU 110 H LEU 110 57.642 20.308 11.578 855 HA LEU 110 HA LEU 110 57.291 17.600 12.198 856 HB2 LEU 110 HB2 LEU 110 56.469 18.689 10.126 857 HB3 LEU 110 HB3 LEU 110 58.128 18.792 9.540 858 HG LEU 110 HG LEU 110 58.279 16.282 9.777 859 HD11 LEU 110 HD11 LEU 110 56.003 15.132 9.811 860 HD12 LEU 110 HD12 LEU 110 55.334 16.671 10.355 861 HD13 LEU 110 HD13 LEU 110 56.527 15.829 11.344 862 HD21 LEU 110 HD21 LEU 110 56.235 17.538 7.929 863 HD22 LEU 110 HD22 LEU 110 56.752 15.860 7.773 864 HD23 LEU 110 HD23 LEU 110 57.922 17.164 7.577 865 H ALA 111 H ALA 111 60.120 19.308 10.922 866 HA ALA 111 HA ALA 111 61.808 17.078 10.618 867 HB1 ALA 111 HB1 ALA 111 62.300 19.330 9.701 868 HB2 ALA 111 HB2 ALA 111 63.649 18.679 10.632 869 HB3 ALA 111 HB3 ALA 111 62.603 19.910 11.339 870 H ALA 112 H ALA 112 61.235 19.204 13.393 871 HA ALA 112 HA ALA 112 63.207 18.171 15.100 872 HB1 ALA 112 HB1 ALA 112 61.752 19.045 16.941 873 HB2 ALA 112 HB2 ALA 112 60.506 19.377 15.738 874 HB3 ALA 112 HB3 ALA 112 62.054 20.220 15.661 875 H LEU 113 H LEU 113 59.884 17.107 14.498 876 HA LEU 113 HA LEU 113 59.661 15.218 16.560 877 HB2 LEU 113 HB2 LEU 113 58.374 15.641 13.898 878 HB3 LEU 113 HB3 LEU 113 58.141 14.071 14.660 879 HG LEU 113 HG LEU 113 57.724 16.563 16.284 880 HD11 LEU 113 HD11 LEU 113 55.515 16.874 15.498 881 HD12 LEU 113 HD12 LEU 113 55.499 15.317 14.669 882 HD13 LEU 113 HD13 LEU 113 56.454 16.651 14.022 883 HD21 LEU 113 HD21 LEU 113 55.874 14.920 17.148 884 HD22 LEU 113 HD22 LEU 113 57.556 14.611 17.583 885 HD23 LEU 113 HD23 LEU 113 56.801 13.700 16.274 886 H THR 114 H THR 114 60.732 14.806 13.202 887 HA THR 114 HA THR 114 61.178 12.022 13.410 888 HB THR 114 HB THR 114 62.412 12.254 11.299 889 HG1 THR 114 HG1 THR 114 63.467 14.143 11.624 890 HG21 THR 114 HG21 THR 114 59.804 12.536 11.606 891 HG22 THR 114 HG22 THR 114 60.550 12.854 10.039 892 HG23 THR 114 HG23 THR 114 60.133 14.195 11.104 893 H SER 115 H SER 115 63.364 14.784 13.858 894 HA SER 115 HA SER 115 65.745 13.300 14.139 895 HB2 SER 115 HB2 SER 115 65.042 15.942 15.434 896 HB3 SER 115 HB3 SER 115 66.661 15.299 15.178 897 HG SER 115 HG SER 115 66.490 16.092 13.260 898 H ALA 116 H ALA 116 63.368 14.372 16.555 899 HA ALA 116 HA ALA 116 64.783 13.548 18.839 900 HB1 ALA 116 HB1 ALA 116 62.889 15.050 19.018 901 HB2 ALA 116 HB2 ALA 116 62.551 13.593 19.953 902 HB3 ALA 116 HB3 ALA 116 61.806 13.819 18.371 903 H ALA 117 H ALA 117 62.484 11.817 16.765 904 HA ALA 117 HA ALA 117 62.199 9.496 18.303 905 HB1 ALA 117 HB1 ALA 117 60.853 10.047 16.284 906 HB2 ALA 117 HB2 ALA 117 61.503 8.409 16.247 907 HB3 ALA 117 HB3 ALA 117 62.256 9.679 15.282 908 H LEU 118 H LEU 118 64.711 10.429 15.995 909 HA LEU 118 HA LEU 118 66.050 7.951 15.841 910 HB2 LEU 118 HB2 LEU 118 67.176 10.752 15.610 911 HB3 LEU 118 HB3 LEU 118 67.993 9.277 15.092 912 HG LEU 118 HG LEU 118 65.296 10.179 14.043 913 HD11 LEU 118 HD11 LEU 118 66.899 11.772 13.255 914 HD12 LEU 118 HD12 LEU 118 66.673 10.622 11.938 915 HD13 LEU 118 HD13 LEU 118 68.103 10.518 12.964 916 HD21 LEU 118 HD21 LEU 118 65.493 7.825 13.777 917 HD22 LEU 118 HD22 LEU 118 67.206 7.934 13.375 918 HD23 LEU 118 HD23 LEU 118 65.994 8.492 12.224 919 H GLU 119 H GLU 119 66.270 10.590 18.180 920 HA GLU 119 HA GLU 119 68.653 9.838 19.453 921 HB2 GLU 119 HB2 GLU 119 67.436 11.997 19.783 922 HB3 GLU 119 HB3 GLU 119 66.247 11.127 20.753 923 HG2 GLU 119 HG2 GLU 119 68.081 10.363 22.254 924 HG3 GLU 119 HG3 GLU 119 69.217 11.326 21.321 925 H HIS 120 H HIS 120 65.325 8.747 19.947 926 HA HIS 120 HA HIS 120 65.667 7.392 22.372 927 HB2 HIS 120 HB2 HIS 120 63.829 6.816 20.051 928 HB3 HIS 120 HB3 HIS 120 63.723 6.008 21.603 929 HD1 HIS 120 HD1 HIS 120 63.207 9.361 19.963 930 HD2 HIS 120 HD2 HIS 120 62.498 7.531 23.641 931 HE1 HIS 120 HE1 HIS 120 61.726 10.941 21.273 932 H HIS 121 H HIS 121 66.152 6.265 19.039 933 HA HIS 121 HA HIS 121 66.566 3.556 19.570 934 HB2 HIS 121 HB2 HIS 121 67.736 5.335 17.438 935 HB3 HIS 121 HB3 HIS 121 67.946 3.595 17.465 936 HD1 HIS 121 HD1 HIS 121 65.687 2.156 17.238 937 HD2 HIS 121 HD2 HIS 121 65.335 6.211 16.337 938 HE1 HIS 121 HE1 HIS 121 63.512 2.421 15.971 939 H HIS 122 H HIS 122 68.870 6.254 19.635 940 HA HIS 122 HA HIS 122 71.226 4.783 19.935 941 HB2 HIS 122 HB2 HIS 122 70.453 7.505 20.970 942 HB3 HIS 122 HB3 HIS 122 72.072 6.847 21.120 943 HD1 HIS 122 HD1 HIS 122 73.329 6.334 18.798 944 HD2 HIS 122 HD2 HIS 122 69.886 8.667 18.508 945 HE1 HIS 122 HE1 HIS 122 73.401 7.437 16.522 946 H HIS 123 H HIS 123 68.914 5.892 22.394 947 HA HIS 123 HA HIS 123 70.369 5.187 24.676 948 HB2 HIS 123 HB2 HIS 123 67.398 5.217 24.161 949 HB3 HIS 123 HB3 HIS 123 68.095 4.920 25.742 950 HD1 HIS 123 HD1 HIS 123 67.380 7.614 23.270 951 HD2 HIS 123 HD2 HIS 123 69.321 7.234 26.941 952 HE1 HIS 123 HE1 HIS 123 67.752 9.966 24.132 953 H HIS 124 H HIS 124 68.117 3.242 22.726 954 HA HIS 124 HA HIS 124 68.135 0.920 24.282 955 HB2 HIS 124 HB2 HIS 124 67.873 1.258 21.296 956 HB3 HIS 124 HB3 HIS 124 67.584 -0.251 22.140 957 HD1 HIS 124 HD1 HIS 124 65.575 -0.161 23.962 958 HD2 HIS 124 HD2 HIS 124 65.692 2.961 21.204 959 HE1 HIS 124 HE1 HIS 124 63.294 0.934 24.026 960 H HIS 125 H HIS 125 70.373 2.003 21.759 961 HA HIS 125 HA HIS 125 72.043 -0.378 22.216 962 HB2 HIS 125 HB2 HIS 125 72.285 1.779 20.117 963 HB3 HIS 125 HB3 HIS 125 73.238 0.310 20.206 964 HD1 HIS 125 HD1 HIS 125 71.683 -1.983 20.054 965 HD2 HIS 125 HD2 HIS 125 70.058 1.540 18.526 966 HE1 HIS 125 HE1 HIS 125 69.796 -2.674 18.514 Start of MODEL 21 1 H1 MET 1 HT1 MET 1 57.668 7.280 10.701 2 H2 MET 1 HT2 MET 1 58.703 8.457 10.045 3 H3 MET 1 HT3 MET 1 59.010 6.807 9.778 4 HA MET 1 HA MET 1 58.046 7.886 7.820 5 HB2 MET 1 HB2 MET 1 56.293 5.844 9.221 6 HB3 MET 1 HB3 MET 1 56.235 6.215 7.497 7 HG2 MET 1 HG2 MET 1 58.672 5.601 7.356 8 HG3 MET 1 HG3 MET 1 58.579 5.059 9.031 9 HE1 MET 1 HE1 MET 1 55.983 4.771 5.978 10 HE2 MET 1 HE2 MET 1 56.619 3.269 5.309 11 HE3 MET 1 HE3 MET 1 57.666 4.680 5.445 12 H ASP 2 H ASP 2 55.448 7.378 10.215 13 HA ASP 2 HA ASP 2 54.373 10.050 9.534 14 HB2 ASP 2 HB2 ASP 2 52.923 7.417 9.766 15 HB3 ASP 2 HB3 ASP 2 52.089 8.962 9.924 16 HA PRO 3 HA PRO 3 55.280 9.599 14.076 17 HB2 PRO 3 HB2 PRO 3 55.427 12.349 14.512 18 HB3 PRO 3 HB3 PRO 3 56.805 11.300 14.133 19 HG2 PRO 3 HG2 PRO 3 55.234 13.070 12.342 20 HG3 PRO 3 HG3 PRO 3 56.975 12.730 12.362 21 HD2 PRO 3 HD2 PRO 3 55.360 11.602 10.530 22 HD3 PRO 3 HD3 PRO 3 56.741 10.715 11.214 23 H LYS 4 H LYS 4 53.983 10.088 15.919 24 HA LYS 4 HA LYS 4 51.255 11.036 15.264 25 HB2 LYS 4 HB2 LYS 4 52.203 9.147 17.433 26 HB3 LYS 4 HB3 LYS 4 50.536 9.677 17.209 27 HG2 LYS 4 HG2 LYS 4 50.585 8.724 14.903 28 HG3 LYS 4 HG3 LYS 4 52.202 8.102 15.227 29 HD2 LYS 4 HD2 LYS 4 51.275 6.841 17.174 30 HD3 LYS 4 HD3 LYS 4 49.661 7.380 16.712 31 HE2 LYS 4 HE2 LYS 4 49.944 5.202 15.751 32 HE3 LYS 4 HE3 LYS 4 50.097 6.356 14.427 33 HZ1 LYS 4 HZ1 LYS 4 52.518 6.251 14.706 34 HZ2 LYS 4 HZ2 LYS 4 51.852 4.741 14.306 35 HZ3 LYS 4 HZ3 LYS 4 52.326 5.066 15.905 36 H VAL 5 H VAL 5 50.386 12.709 16.408 37 HA VAL 5 HA VAL 5 51.747 13.555 18.889 38 HB VAL 5 HB VAL 5 51.321 15.941 18.231 39 HG11 VAL 5 HG11 VAL 5 53.292 14.128 16.881 40 HG12 VAL 5 HG12 VAL 5 53.561 15.339 18.137 41 HG13 VAL 5 HG13 VAL 5 53.270 15.844 16.471 42 HG21 VAL 5 HG21 VAL 5 49.731 15.705 16.440 43 HG22 VAL 5 HG22 VAL 5 50.801 14.622 15.550 44 HG23 VAL 5 HG23 VAL 5 51.219 16.323 15.726 45 H LEU 6 H LEU 6 50.518 14.390 20.469 46 HA LEU 6 HA LEU 6 47.598 14.086 20.145 47 HB2 LEU 6 HB2 LEU 6 48.757 12.718 21.899 48 HB3 LEU 6 HB3 LEU 6 49.190 14.223 22.711 49 HG LEU 6 HG LEU 6 46.663 14.770 22.623 50 HD11 LEU 6 HD11 LEU 6 46.615 11.769 22.174 51 HD12 LEU 6 HD12 LEU 6 46.044 12.993 21.039 52 HD13 LEU 6 HD13 LEU 6 45.213 12.760 22.577 53 HD21 LEU 6 HD21 LEU 6 48.045 14.050 24.643 54 HD22 LEU 6 HD22 LEU 6 47.467 12.411 24.344 55 HD23 LEU 6 HD23 LEU 6 46.321 13.693 24.739 56 H ILE 7 H ILE 7 46.233 15.762 20.510 57 HA ILE 7 HA ILE 7 47.472 18.403 20.933 58 HB ILE 7 HB ILE 7 44.711 17.756 19.867 59 HG12 ILE 7 HG12 ILE 7 47.112 18.684 18.275 60 HG13 ILE 7 HG13 ILE 7 46.698 16.976 18.433 61 HG21 ILE 7 HG21 ILE 7 44.985 20.010 20.876 62 HG22 ILE 7 HG22 ILE 7 44.740 20.098 19.132 63 HG23 ILE 7 HG23 ILE 7 46.357 20.307 19.808 64 HD11 ILE 7 HD11 ILE 7 44.708 17.203 17.251 65 HD12 ILE 7 HD12 ILE 7 45.748 18.349 16.406 66 HD13 ILE 7 HD13 ILE 7 44.576 18.928 17.588 67 H MET 8 H MET 8 47.084 19.550 22.688 68 HA MET 8 HA MET 8 44.949 18.728 24.542 69 HB2 MET 8 HB2 MET 8 47.396 20.463 24.949 70 HB3 MET 8 HB3 MET 8 46.196 20.111 26.192 71 HG2 MET 8 HG2 MET 8 46.651 17.659 25.829 72 HG3 MET 8 HG3 MET 8 47.983 18.122 24.770 73 HE1 MET 8 HE1 MET 8 46.639 19.715 28.216 74 HE2 MET 8 HE2 MET 8 47.553 18.651 29.280 75 HE3 MET 8 HE3 MET 8 46.418 17.964 28.122 76 H ARG 9 H ARG 9 43.262 20.082 24.989 77 HA ARG 9 HA ARG 9 42.582 22.111 23.183 78 HB2 ARG 9 HB2 ARG 9 41.583 21.612 25.995 79 HB3 ARG 9 HB3 ARG 9 40.844 22.748 24.867 80 HG2 ARG 9 HG2 ARG 9 40.526 20.870 23.252 81 HG3 ARG 9 HG3 ARG 9 41.144 19.756 24.473 82 HD2 ARG 9 HD2 ARG 9 39.342 20.548 26.024 83 HD3 ARG 9 HD3 ARG 9 38.681 21.505 24.701 84 HE ARG 9 HE ARG 9 39.032 18.696 24.082 85 HH11 ARG 9 HH11 ARG 9 36.818 21.081 25.402 86 HH12 ARG 9 HH12 ARG 9 35.417 20.129 25.036 87 HH21 ARG 9 HH21 ARG 9 37.189 17.520 23.628 88 HH22 ARG 9 HH22 ARG 9 35.627 18.139 24.046 89 H GLY 10 H GLY 10 42.617 24.333 23.278 90 HA2 GLY 10 HA2 GLY 10 43.835 25.742 25.492 91 HA3 GLY 10 HA3 GLY 10 44.838 25.667 24.045 92 H GLU 11 H GLU 11 44.231 28.124 24.754 93 HA GLU 11 HA GLU 11 41.800 29.270 24.071 94 HB2 GLU 11 HB2 GLU 11 43.713 30.439 25.167 95 HB3 GLU 11 HB3 GLU 11 44.521 30.503 23.598 96 HG2 GLU 11 HG2 GLU 11 42.554 31.716 22.672 97 HG3 GLU 11 HG3 GLU 11 41.828 31.720 24.273 98 H GLY 12 H GLY 12 44.409 28.216 21.945 99 HA2 GLY 12 HA2 GLY 12 43.427 29.569 19.613 100 HA3 GLY 12 HA3 GLY 12 44.644 28.296 19.645 101 H GLY 13 H GLY 13 43.150 27.978 17.584 102 HA2 GLY 13 HA2 GLY 13 40.678 26.553 18.141 103 HA3 GLY 13 HA3 GLY 13 41.357 26.892 16.552 104 H ARG 14 H ARG 14 40.740 24.495 18.768 105 HA ARG 14 HA ARG 14 42.942 22.776 18.654 106 HB2 ARG 14 HB2 ARG 14 40.887 22.516 20.091 107 HB3 ARG 14 HB3 ARG 14 40.030 21.945 18.663 108 HG2 ARG 14 HG2 ARG 14 41.606 20.092 18.424 109 HG3 ARG 14 HG3 ARG 14 42.522 20.673 19.820 110 HD2 ARG 14 HD2 ARG 14 41.014 18.938 20.591 111 HD3 ARG 14 HD3 ARG 14 40.436 20.489 21.193 112 HE ARG 14 HE ARG 14 39.285 19.696 18.656 113 HH11 ARG 14 HH11 ARG 14 38.914 19.534 22.143 114 HH12 ARG 14 HH12 ARG 14 37.212 19.228 22.044 115 HH21 ARG 14 HH21 ARG 14 37.094 19.299 18.595 116 HH22 ARG 14 HH22 ARG 14 36.196 19.095 20.063 117 H GLU 15 H GLU 15 40.118 22.997 16.496 118 HA GLU 15 HA GLU 15 40.850 20.861 14.800 119 HB2 GLU 15 HB2 GLU 15 38.579 21.901 14.918 120 HB3 GLU 15 HB3 GLU 15 39.224 23.302 14.063 121 HG2 GLU 15 HG2 GLU 15 39.927 21.802 12.204 122 HG3 GLU 15 HG3 GLU 15 39.183 20.449 13.043 123 H PHE 16 H PHE 16 41.581 24.326 14.699 124 HA PHE 16 HA PHE 16 42.578 24.474 12.088 125 HB2 PHE 16 HB2 PHE 16 42.083 26.376 13.663 126 HB3 PHE 16 HB3 PHE 16 43.594 26.015 14.473 127 HD1 PHE 16 HD1 PHE 16 42.051 27.214 11.335 128 HD2 PHE 16 HD2 PHE 16 45.710 26.668 13.518 129 HE1 PHE 16 HE1 PHE 16 43.237 28.662 9.709 130 HE2 PHE 16 HE2 PHE 16 46.896 28.115 11.888 131 HZ PHE 16 HZ PHE 16 45.658 29.114 9.986 132 H LEU 17 H LEU 17 44.400 24.034 15.130 133 HA LEU 17 HA LEU 17 46.933 23.728 13.972 134 HB2 LEU 17 HB2 LEU 17 46.481 24.064 16.404 135 HB3 LEU 17 HB3 LEU 17 45.910 22.400 16.495 136 HG LEU 17 HG LEU 17 48.210 21.768 15.478 137 HD11 LEU 17 HD11 LEU 17 48.984 23.925 14.776 138 HD12 LEU 17 HD12 LEU 17 49.982 23.459 16.154 139 HD13 LEU 17 HD13 LEU 17 48.674 24.622 16.367 140 HD21 LEU 17 HD21 LEU 17 49.017 21.374 17.616 141 HD22 LEU 17 HD22 LEU 17 47.320 21.678 17.974 142 HD23 LEU 17 HD23 LEU 17 48.513 22.953 18.217 143 H ALA 18 H ALA 18 44.451 21.294 14.739 144 HA ALA 18 HA ALA 18 45.948 19.019 14.156 145 HB1 ALA 18 HB1 ALA 18 43.807 18.786 15.221 146 HB2 ALA 18 HB2 ALA 18 43.714 17.949 13.673 147 HB3 ALA 18 HB3 ALA 18 42.985 19.544 13.857 148 H GLU 19 H GLU 19 43.995 21.028 11.947 149 HA GLU 19 HA GLU 19 44.214 19.348 9.707 150 HB2 GLU 19 HB2 GLU 19 43.879 22.351 9.867 151 HB3 GLU 19 HB3 GLU 19 43.713 21.411 8.384 152 HG2 GLU 19 HG2 GLU 19 42.083 20.994 10.903 153 HG3 GLU 19 HG3 GLU 19 41.519 21.829 9.461 154 H ARG 20 H ARG 20 46.301 21.985 10.856 155 HA ARG 20 HA ARG 20 48.044 22.050 8.650 156 HB2 ARG 20 HB2 ARG 20 48.652 22.579 11.567 157 HB3 ARG 20 HB3 ARG 20 49.708 23.008 10.224 158 HG2 ARG 20 HG2 ARG 20 46.856 23.992 10.507 159 HG3 ARG 20 HG3 ARG 20 48.269 24.905 11.037 160 HD2 ARG 20 HD2 ARG 20 49.158 24.731 8.678 161 HD3 ARG 20 HD3 ARG 20 47.611 24.037 8.209 162 HE ARG 20 HE ARG 20 46.603 26.127 8.497 163 HH11 ARG 20 HH11 ARG 20 49.947 26.270 9.568 164 HH12 ARG 20 HH12 ARG 20 49.971 28.000 9.580 165 HH21 ARG 20 HH21 ARG 20 46.702 28.354 8.528 166 HH22 ARG 20 HH22 ARG 20 48.158 29.164 9.000 167 H LEU 21 H LEU 21 48.354 20.160 11.676 168 HA LEU 21 HA LEU 21 50.823 18.994 10.956 169 HB2 LEU 21 HB2 LEU 21 48.701 18.085 12.903 170 HB3 LEU 21 HB3 LEU 21 50.276 17.306 12.737 171 HG LEU 21 HG LEU 21 49.962 20.269 13.264 172 HD11 LEU 21 HD11 LEU 21 49.070 18.532 15.064 173 HD12 LEU 21 HD12 LEU 21 50.026 19.930 15.554 174 HD13 LEU 21 HD13 LEU 21 50.789 18.349 15.411 175 HD21 LEU 21 HD21 LEU 21 52.233 18.312 13.122 176 HD22 LEU 21 HD22 LEU 21 52.369 19.680 14.225 177 HD23 LEU 21 HD23 LEU 21 52.137 19.959 12.498 178 H ARG 22 H ARG 22 47.488 17.958 10.349 179 HA ARG 22 HA ARG 22 48.109 15.409 9.290 180 HB2 ARG 22 HB2 ARG 22 45.806 17.276 8.687 181 HB3 ARG 22 HB3 ARG 22 45.907 15.610 8.122 182 HG2 ARG 22 HG2 ARG 22 46.071 14.843 10.480 183 HG3 ARG 22 HG3 ARG 22 45.881 16.512 11.018 184 HD2 ARG 22 HD2 ARG 22 43.710 16.585 9.724 185 HD3 ARG 22 HD3 ARG 22 43.883 14.852 9.466 186 HE ARG 22 HE ARG 22 44.039 15.685 12.241 187 HH11 ARG 22 HH11 ARG 22 41.894 14.613 9.677 188 HH12 ARG 22 HH12 ARG 22 40.680 14.067 10.786 189 HH21 ARG 22 HH21 ARG 22 42.440 14.964 13.618 190 HH22 ARG 22 HH22 ARG 22 40.987 14.263 12.989 191 H GLY 23 H GLY 23 47.843 18.599 7.742 192 HA2 GLY 23 HA2 GLY 23 48.063 17.762 5.080 193 HA3 GLY 23 HA3 GLY 23 48.533 19.346 5.680 194 H GLN 24 H GLN 24 50.557 18.262 7.518 195 HA GLN 24 HA GLN 24 52.688 17.945 5.569 196 HB2 GLN 24 HB2 GLN 24 52.741 18.243 8.570 197 HB3 GLN 24 HB3 GLN 24 54.180 18.133 7.555 198 HG2 GLN 24 HG2 GLN 24 53.480 20.114 6.298 199 HG3 GLN 24 HG3 GLN 24 52.000 20.214 7.246 200 HE21 GLN 24 HE21 GLN 24 53.937 22.346 7.153 201 HE22 GLN 24 HE22 GLN 24 54.609 22.507 8.702 202 H GLY 25 H GLY 25 50.713 15.644 6.760 203 HA2 GLY 25 HA2 GLY 25 51.008 13.359 6.331 204 HA3 GLY 25 HA3 GLY 25 52.744 13.613 6.265 205 H VAL 26 H VAL 26 51.191 14.978 9.037 206 HA VAL 26 HA VAL 26 52.264 12.798 10.699 207 HB VAL 26 HB VAL 26 51.329 15.564 11.516 208 HG11 VAL 26 HG11 VAL 26 51.250 13.773 13.276 209 HG12 VAL 26 HG12 VAL 26 52.396 15.063 13.639 210 HG13 VAL 26 HG13 VAL 26 52.977 13.515 13.027 211 HG21 VAL 26 HG21 VAL 26 53.317 15.695 10.086 212 HG22 VAL 26 HG22 VAL 26 54.116 14.454 11.051 213 HG23 VAL 26 HG23 VAL 26 53.764 16.031 11.759 214 H GLN 27 H GLN 27 50.974 11.622 12.061 215 HA GLN 27 HA GLN 27 48.118 11.659 11.539 216 HB2 GLN 27 HB2 GLN 27 49.749 9.985 13.464 217 HB3 GLN 27 HB3 GLN 27 48.054 9.719 13.056 218 HG2 GLN 27 HG2 GLN 27 48.741 9.454 10.656 219 HG3 GLN 27 HG3 GLN 27 50.423 9.543 11.175 220 HE21 GLN 27 HE21 GLN 27 51.346 7.677 12.205 221 HE22 GLN 27 HE22 GLN 27 50.494 6.221 12.385 222 H VAL 28 H VAL 28 46.614 12.639 12.790 223 HA VAL 28 HA VAL 28 47.595 13.979 15.252 224 HB VAL 28 HB VAL 28 45.503 14.966 13.299 225 HG11 VAL 28 HG11 VAL 28 45.271 15.675 15.710 226 HG12 VAL 28 HG12 VAL 28 45.552 17.006 14.590 227 HG13 VAL 28 HG13 VAL 28 46.873 16.402 15.589 228 HG21 VAL 28 HG21 VAL 28 47.802 15.009 12.353 229 HG22 VAL 28 HG22 VAL 28 48.351 15.909 13.766 230 HG23 VAL 28 HG23 VAL 28 47.190 16.636 12.656 231 H ASP 29 H ASP 29 46.588 13.537 17.066 232 HA ASP 29 HA ASP 29 43.726 12.813 16.992 233 HB2 ASP 29 HB2 ASP 29 45.123 10.774 17.382 234 HB3 ASP 29 HB3 ASP 29 45.784 11.550 18.821 235 H TYR 30 H TYR 30 42.502 13.873 18.522 236 HA TYR 30 HA TYR 30 43.977 15.662 20.375 237 HB2 TYR 30 HB2 TYR 30 42.234 17.329 20.033 238 HB3 TYR 30 HB3 TYR 30 43.075 16.952 18.547 239 HD1 TYR 30 HD1 TYR 30 39.916 17.432 20.050 240 HD2 TYR 30 HD2 TYR 30 41.912 15.110 17.035 241 HE1 TYR 30 HE1 TYR 30 37.737 16.956 18.971 242 HE2 TYR 30 HE2 TYR 30 39.732 14.645 15.950 243 HH TYR 30 HH TYR 30 37.536 15.318 15.921 244 H LEU 31 H LEU 31 43.335 15.717 22.452 245 HA LEU 31 HA LEU 31 41.138 13.886 23.203 246 HB2 LEU 31 HB2 LEU 31 43.351 13.013 23.770 247 HB3 LEU 31 HB3 LEU 31 43.729 14.495 24.638 248 HG LEU 31 HG LEU 31 41.557 13.880 26.035 249 HD11 LEU 31 HD11 LEU 31 40.699 12.008 24.908 250 HD12 LEU 31 HD12 LEU 31 41.594 11.292 26.250 251 HD13 LEU 31 HD13 LEU 31 42.302 11.323 24.633 252 HD21 LEU 31 HD21 LEU 31 42.961 12.732 27.628 253 HD22 LEU 31 HD22 LEU 31 43.946 13.955 26.826 254 HD23 LEU 31 HD23 LEU 31 44.094 12.259 26.362 255 HA PRO 32 HA PRO 32 39.686 17.552 25.516 256 HB2 PRO 32 HB2 PRO 32 37.960 15.793 27.110 257 HB3 PRO 32 HB3 PRO 32 37.513 17.061 25.962 258 HG2 PRO 32 HG2 PRO 32 37.134 14.427 25.507 259 HG3 PRO 32 HG3 PRO 32 37.379 15.622 24.221 260 HD2 PRO 32 HD2 PRO 32 39.334 13.649 25.348 261 HD3 PRO 32 HD3 PRO 32 39.129 14.213 23.674 262 H LEU 33 H LEU 33 40.517 18.476 27.322 263 HA LEU 33 HA LEU 33 42.358 17.115 28.964 264 HB2 LEU 33 HB2 LEU 33 40.932 19.727 29.510 265 HB3 LEU 33 HB3 LEU 33 42.404 19.167 30.301 266 HG LEU 33 HG LEU 33 42.135 19.625 27.317 267 HD11 LEU 33 HD11 LEU 33 42.120 21.650 29.061 268 HD12 LEU 33 HD12 LEU 33 43.040 21.735 27.561 269 HD13 LEU 33 HD13 LEU 33 43.857 21.342 29.069 270 HD21 LEU 33 HD21 LEU 33 44.672 19.521 27.505 271 HD22 LEU 33 HD22 LEU 33 43.833 17.992 27.758 272 HD23 LEU 33 HD23 LEU 33 44.439 18.907 29.141 273 H ASP 34 H ASP 34 38.980 16.942 29.124 274 HA ASP 34 HA ASP 34 38.713 16.868 31.984 275 HB2 ASP 34 HB2 ASP 34 36.840 16.025 29.771 276 HB3 ASP 34 HB3 ASP 34 36.413 16.071 31.480 277 H TYR 35 H TYR 35 39.923 14.541 29.782 278 HA TYR 35 HA TYR 35 38.740 12.201 30.834 279 HB2 TYR 35 HB2 TYR 35 41.112 12.803 29.162 280 HB3 TYR 35 HB3 TYR 35 41.085 11.240 29.956 281 HD1 TYR 35 HD1 TYR 35 40.012 9.464 28.925 282 HD2 TYR 35 HD2 TYR 35 38.900 13.477 27.874 283 HE1 TYR 35 HE1 TYR 35 38.492 8.582 27.175 284 HE2 TYR 35 HE2 TYR 35 37.381 12.594 26.123 285 HH TYR 35 HH TYR 35 36.322 10.633 25.453 286 HA PRO 36 HA PRO 36 40.694 11.950 34.731 287 HB2 PRO 36 HB2 PRO 36 40.597 9.308 35.320 288 HB3 PRO 36 HB3 PRO 36 39.140 10.317 35.230 289 HG2 PRO 36 HG2 PRO 36 40.241 8.407 33.234 290 HG3 PRO 36 HG3 PRO 36 38.557 8.711 33.700 291 HD2 PRO 36 HD2 PRO 36 39.714 9.753 31.430 292 HD3 PRO 36 HD3 PRO 36 38.338 10.496 32.270 293 H ALA 37 H ALA 37 42.537 11.231 35.956 294 HA ALA 37 HA ALA 37 44.945 11.244 34.571 295 HB1 ALA 37 HB1 ALA 37 44.509 10.027 37.305 296 HB2 ALA 37 HB2 ALA 37 44.629 11.761 37.008 297 HB3 ALA 37 HB3 ALA 37 46.004 10.711 36.669 298 H GLY 38 H GLY 38 46.567 9.625 34.271 299 HA2 GLY 38 HA2 GLY 38 47.289 7.392 33.996 300 HA3 GLY 38 HA3 GLY 38 45.634 6.847 34.245 301 H GLU 39 H GLU 39 44.450 8.722 32.322 302 HA GLU 39 HA GLU 39 44.526 7.072 30.049 303 HB2 GLU 39 HB2 GLU 39 43.626 9.946 30.332 304 HB3 GLU 39 HB3 GLU 39 43.315 8.937 28.919 305 HG2 GLU 39 HG2 GLU 39 42.433 8.305 31.750 306 HG3 GLU 39 HG3 GLU 39 41.395 8.939 30.479 307 H LEU 40 H LEU 40 46.299 10.032 30.838 308 HA LEU 40 HA LEU 40 47.312 10.588 28.270 309 HB2 LEU 40 HB2 LEU 40 47.424 12.134 30.224 310 HB3 LEU 40 HB3 LEU 40 48.658 11.094 30.936 311 HG LEU 40 HG LEU 40 49.974 11.417 28.758 312 HD11 LEU 40 HD11 LEU 40 47.852 13.560 28.463 313 HD12 LEU 40 HD12 LEU 40 48.222 12.260 27.329 314 HD13 LEU 40 HD13 LEU 40 49.376 13.571 27.577 315 HD21 LEU 40 HD21 LEU 40 50.417 12.572 30.966 316 HD22 LEU 40 HD22 LEU 40 49.451 13.925 30.376 317 HD23 LEU 40 HD23 LEU 40 50.944 13.480 29.549 318 H LEU 41 H LEU 41 48.656 8.658 30.941 319 HA LEU 41 HA LEU 41 51.124 8.087 29.690 320 HB2 LEU 41 HB2 LEU 41 50.608 7.808 32.133 321 HB3 LEU 41 HB3 LEU 41 49.683 6.367 31.716 322 HG LEU 41 HG LEU 41 51.887 5.664 30.460 323 HD11 LEU 41 HD11 LEU 41 53.127 7.710 30.716 324 HD12 LEU 41 HD12 LEU 41 53.890 6.511 31.759 325 HD13 LEU 41 HD13 LEU 41 52.832 7.739 32.453 326 HD21 LEU 41 HD21 LEU 41 51.237 5.555 33.391 327 HD22 LEU 41 HD22 LEU 41 52.768 4.884 32.829 328 HD23 LEU 41 HD23 LEU 41 51.247 4.254 32.200 329 H ALA 42 H ALA 42 48.040 6.321 29.724 330 HA ALA 42 HA ALA 42 49.013 3.970 28.509 331 HB1 ALA 42 HB1 ALA 42 46.748 4.403 29.695 332 HB2 ALA 42 HB2 ALA 42 46.771 3.309 28.311 333 HB3 ALA 42 HB3 ALA 42 46.202 4.967 28.115 334 H ARG 43 H ARG 43 47.479 6.856 27.094 335 HA ARG 43 HA ARG 43 47.459 5.932 24.428 336 HB2 ARG 43 HB2 ARG 43 47.706 8.778 25.435 337 HB3 ARG 43 HB3 ARG 43 47.250 8.301 23.801 338 HG2 ARG 43 HG2 ARG 43 45.718 7.480 26.282 339 HG3 ARG 43 HG3 ARG 43 45.296 8.870 25.285 340 HD2 ARG 43 HD2 ARG 43 45.113 7.324 23.316 341 HD3 ARG 43 HD3 ARG 43 45.372 5.970 24.411 342 HE ARG 43 HE ARG 43 43.304 7.180 25.592 343 HH11 ARG 43 HH11 ARG 43 43.790 6.412 22.201 344 HH12 ARG 43 HH12 ARG 43 42.094 6.247 21.894 345 HH21 ARG 43 HH21 ARG 43 41.134 6.954 25.135 346 HH22 ARG 43 HH22 ARG 43 40.609 6.549 23.534 347 H VAL 44 H VAL 44 49.943 7.654 26.288 348 HA VAL 44 HA VAL 44 51.661 8.234 24.143 349 HB VAL 44 HB VAL 44 52.294 7.699 27.058 350 HG11 VAL 44 HG11 VAL 44 54.296 7.547 25.526 351 HG12 VAL 44 HG12 VAL 44 54.386 8.855 26.702 352 HG13 VAL 44 HG13 VAL 44 53.965 9.205 25.025 353 HG21 VAL 44 HG21 VAL 44 52.195 10.405 25.759 354 HG22 VAL 44 HG22 VAL 44 51.919 9.962 27.441 355 HG23 VAL 44 HG23 VAL 44 50.687 9.626 26.228 356 H ARG 45 H ARG 45 51.533 5.417 26.311 357 HA ARG 45 HA ARG 45 53.844 4.165 25.227 358 HB2 ARG 45 HB2 ARG 45 52.917 3.719 27.492 359 HB3 ARG 45 HB3 ARG 45 51.560 2.884 26.738 360 HG2 ARG 45 HG2 ARG 45 53.154 1.318 25.652 361 HG3 ARG 45 HG3 ARG 45 54.486 2.127 26.478 362 HD2 ARG 45 HD2 ARG 45 53.399 1.589 28.662 363 HD3 ARG 45 HD3 ARG 45 52.169 0.681 27.790 364 HE ARG 45 HE ARG 45 54.907 -0.115 27.233 365 HH11 ARG 45 HH11 ARG 45 52.076 -0.703 29.224 366 HH12 ARG 45 HH12 ARG 45 52.577 -2.310 29.637 367 HH21 ARG 45 HH21 ARG 45 55.499 -2.190 27.798 368 HH22 ARG 45 HH22 ARG 45 54.491 -3.140 28.838 369 H ALA 46 H ALA 46 50.364 3.527 24.719 370 HA ALA 46 HA ALA 46 50.791 1.252 23.087 371 HB1 ALA 46 HB1 ALA 46 48.484 1.168 22.861 372 HB2 ALA 46 HB2 ALA 46 48.316 2.924 22.866 373 HB3 ALA 46 HB3 ALA 46 48.659 2.066 24.369 374 H GLU 47 H GLU 47 50.100 4.658 22.277 375 HA GLU 47 HA GLU 47 50.138 4.082 19.442 376 HB2 GLU 47 HB2 GLU 47 49.981 6.693 20.954 377 HB3 GLU 47 HB3 GLU 47 49.818 6.528 19.206 378 HG2 GLU 47 HG2 GLU 47 47.911 4.970 19.559 379 HG3 GLU 47 HG3 GLU 47 48.043 5.232 21.292 380 H ARG 48 H ARG 48 52.616 4.648 21.711 381 HA ARG 48 HA ARG 48 54.817 5.284 21.533 382 HB2 ARG 48 HB2 ARG 48 54.342 4.434 18.665 383 HB3 ARG 48 HB3 ARG 48 55.927 4.713 19.386 384 HG2 ARG 48 HG2 ARG 48 55.415 2.976 21.100 385 HG3 ARG 48 HG3 ARG 48 53.892 2.649 20.273 386 HD2 ARG 48 HD2 ARG 48 55.219 2.175 18.185 387 HD3 ARG 48 HD3 ARG 48 56.683 2.300 19.155 388 HE ARG 48 HE ARG 48 54.752 0.129 19.180 389 HH11 ARG 48 HH11 ARG 48 57.410 1.652 20.895 390 HH12 ARG 48 HH12 ARG 48 57.779 0.220 21.797 391 HH21 ARG 48 HH21 ARG 48 55.275 -1.683 20.370 392 HH22 ARG 48 HH22 ARG 48 56.584 -1.644 21.502 393 H LEU 49 H LEU 49 53.448 7.442 21.768 394 HA LEU 49 HA LEU 49 53.202 9.139 19.503 395 HB2 LEU 49 HB2 LEU 49 53.243 9.820 22.451 396 HB3 LEU 49 HB3 LEU 49 52.795 10.940 21.168 397 HG LEU 49 HG LEU 49 51.410 8.288 21.663 398 HD11 LEU 49 HD11 LEU 49 51.227 10.202 23.446 399 HD12 LEU 49 HD12 LEU 49 49.750 9.430 22.867 400 HD13 LEU 49 HD13 LEU 49 50.232 11.001 22.228 401 HD21 LEU 49 HD21 LEU 49 50.993 8.863 19.426 402 HD22 LEU 49 HD22 LEU 49 51.036 10.594 19.763 403 HD23 LEU 49 HD23 LEU 49 49.641 9.633 20.258 404 H ASN 50 H ASN 50 54.378 10.860 18.815 405 HA ASN 50 HA ASN 50 57.231 10.775 19.458 406 HB2 ASN 50 HB2 ASN 50 55.656 12.081 17.235 407 HB3 ASN 50 HB3 ASN 50 57.387 12.313 17.462 408 HD21 ASN 50 HD21 ASN 50 58.780 10.684 16.695 409 HD22 ASN 50 HD22 ASN 50 58.235 9.236 16.001 410 H GLY 51 H GLY 51 54.469 13.017 19.444 411 HA2 GLY 51 HA2 GLY 51 55.947 14.784 21.249 412 HA3 GLY 51 HA3 GLY 51 55.536 15.463 19.685 413 H LEU 52 H LEU 52 54.717 16.642 21.965 414 HA LEU 52 HA LEU 52 51.782 16.256 21.909 415 HB2 LEU 52 HB2 LEU 52 53.420 17.093 24.319 416 HB3 LEU 52 HB3 LEU 52 51.676 16.848 24.268 417 HG LEU 52 HG LEU 52 53.726 14.682 23.717 418 HD11 LEU 52 HD11 LEU 52 52.792 13.815 25.955 419 HD12 LEU 52 HD12 LEU 52 52.177 15.451 26.195 420 HD13 LEU 52 HD13 LEU 52 53.912 15.175 26.035 421 HD21 LEU 52 HD21 LEU 52 51.592 14.283 22.600 422 HD22 LEU 52 HD22 LEU 52 50.715 14.651 24.085 423 HD23 LEU 52 HD23 LEU 52 51.720 13.206 23.989 424 H VAL 53 H VAL 53 50.577 18.179 21.790 425 HA VAL 53 HA VAL 53 52.165 20.683 21.584 426 HB VAL 53 HB VAL 53 49.657 19.982 20.036 427 HG11 VAL 53 HG11 VAL 53 51.381 22.418 20.280 428 HG12 VAL 53 HG12 VAL 53 49.631 22.295 20.114 429 HG13 VAL 53 HG13 VAL 53 50.667 22.063 18.708 430 HG21 VAL 53 HG21 VAL 53 52.316 20.390 18.714 431 HG22 VAL 53 HG22 VAL 53 50.947 19.410 18.204 432 HG23 VAL 53 HG23 VAL 53 52.014 18.831 19.476 433 H VAL 54 H VAL 54 51.606 22.259 22.945 434 HA VAL 54 HA VAL 54 48.790 22.431 23.829 435 HB VAL 54 HB VAL 54 49.635 23.436 25.972 436 HG11 VAL 54 HG11 VAL 54 50.455 21.083 26.820 437 HG12 VAL 54 HG12 VAL 54 49.991 20.567 25.197 438 HG13 VAL 54 HG13 VAL 54 48.797 21.307 26.266 439 HG21 VAL 54 HG21 VAL 54 52.013 23.715 24.916 440 HG22 VAL 54 HG22 VAL 54 52.239 22.038 25.415 441 HG23 VAL 54 HG23 VAL 54 51.876 23.275 26.619 442 H SER 55 H SER 55 48.042 24.556 24.269 443 HA SER 55 HA SER 55 49.732 26.732 23.191 444 HB2 SER 55 HB2 SER 55 48.033 25.981 21.524 445 HB3 SER 55 HB3 SER 55 46.773 26.415 22.676 446 HG SER 55 HG SER 55 47.073 28.233 21.601 447 H SER 56 H SER 56 48.522 25.740 26.007 448 HA SER 56 HA SER 56 48.211 28.475 26.963 449 HB2 SER 56 HB2 SER 56 46.041 28.157 27.961 450 HB3 SER 56 HB3 SER 56 45.920 27.767 26.249 451 HG SER 56 HG SER 56 45.028 26.216 27.764 452 H GLY 57 H GLY 57 48.490 28.705 29.198 453 HA2 GLY 57 HA2 GLY 57 50.169 26.894 30.517 454 HA3 GLY 57 HA3 GLY 57 49.238 28.162 31.310 455 H GLN 58 H GLN 58 46.638 27.261 30.616 456 HA GLN 58 HA GLN 58 46.100 25.479 32.717 457 HB2 GLN 58 HB2 GLN 58 44.456 26.144 30.263 458 HB3 GLN 58 HB3 GLN 58 43.848 25.265 31.667 459 HG2 GLN 58 HG2 GLN 58 44.340 27.170 33.117 460 HG3 GLN 58 HG3 GLN 58 45.046 28.047 31.762 461 HE21 GLN 58 HE21 GLN 58 42.829 29.103 33.237 462 HE22 GLN 58 HE22 GLN 58 41.476 29.134 32.212 463 H GLY 59 H GLY 59 46.498 24.896 29.231 464 HA2 GLY 59 HA2 GLY 59 45.786 22.176 29.213 465 HA3 GLY 59 HA3 GLY 59 46.851 22.956 28.046 466 H LEU 60 H LEU 60 48.948 23.753 29.633 467 HA LEU 60 HA LEU 60 50.531 21.451 29.776 468 HB2 LEU 60 HB2 LEU 60 51.395 23.781 29.613 469 HB3 LEU 60 HB3 LEU 60 50.938 24.036 31.298 470 HG LEU 60 HG LEU 60 52.385 22.033 31.883 471 HD11 LEU 60 HD11 LEU 60 52.965 22.326 28.948 472 HD12 LEU 60 HD12 LEU 60 52.699 20.857 29.886 473 HD13 LEU 60 HD13 LEU 60 54.222 21.733 30.033 474 HD21 LEU 60 HD21 LEU 60 54.404 23.338 31.917 475 HD22 LEU 60 HD22 LEU 60 53.066 24.477 32.072 476 HD23 LEU 60 HD23 LEU 60 53.885 24.285 30.522 477 H GLN 61 H GLN 61 48.794 23.195 32.328 478 HA GLN 61 HA GLN 61 49.727 21.672 34.507 479 HB2 GLN 61 HB2 GLN 61 47.102 23.135 34.147 480 HB3 GLN 61 HB3 GLN 61 47.690 22.496 35.681 481 HG2 GLN 61 HG2 GLN 61 49.110 24.562 33.975 482 HG3 GLN 61 HG3 GLN 61 48.220 24.896 35.458 483 HE21 GLN 61 HE21 GLN 61 51.304 24.742 34.480 484 HE22 GLN 61 HE22 GLN 61 52.040 24.057 35.849 485 H ASN 62 H ASN 62 46.901 21.234 32.399 486 HA ASN 62 HA ASN 62 45.760 19.039 33.718 487 HB2 ASN 62 HB2 ASN 62 45.781 19.810 30.798 488 HB3 ASN 62 HB3 ASN 62 44.838 18.463 31.431 489 HD21 ASN 62 HD21 ASN 62 44.691 21.774 30.773 490 HD22 ASN 62 HD22 ASN 62 43.358 22.158 31.750 491 H LEU 63 H LEU 63 48.275 19.185 31.227 492 HA LEU 63 HA LEU 63 48.537 16.441 30.732 493 HB2 LEU 63 HB2 LEU 63 49.622 18.283 29.420 494 HB3 LEU 63 HB3 LEU 63 50.770 18.486 30.741 495 HG LEU 63 HG LEU 63 51.231 15.952 30.467 496 HD11 LEU 63 HD11 LEU 63 49.283 15.507 29.006 497 HD12 LEU 63 HD12 LEU 63 50.795 15.085 28.203 498 HD13 LEU 63 HD13 LEU 63 49.963 16.581 27.784 499 HD21 LEU 63 HD21 LEU 63 52.857 17.669 29.848 500 HD22 LEU 63 HD22 LEU 63 52.014 17.955 28.326 501 HD23 LEU 63 HD23 LEU 63 52.831 16.418 28.605 502 H TYR 64 H TYR 64 50.106 18.512 33.137 503 HA TYR 64 HA TYR 64 51.885 16.595 34.176 504 HB2 TYR 64 HB2 TYR 64 51.913 19.081 34.565 505 HB3 TYR 64 HB3 TYR 64 50.583 18.860 35.684 506 HD1 TYR 64 HD1 TYR 64 50.940 17.885 37.883 507 HD2 TYR 64 HD2 TYR 64 54.164 18.244 35.064 508 HE1 TYR 64 HE1 TYR 64 52.575 17.412 39.688 509 HE2 TYR 64 HE2 TYR 64 55.788 17.777 36.860 510 HH TYR 64 HH TYR 64 55.134 17.954 40.010 511 H GLN 65 H GLN 65 48.626 17.545 35.236 512 HA GLN 65 HA GLN 65 48.532 15.901 37.519 513 HB2 GLN 65 HB2 GLN 65 46.296 16.948 35.771 514 HB3 GLN 65 HB3 GLN 65 46.059 16.186 37.344 515 HG2 GLN 65 HG2 GLN 65 47.417 17.908 38.422 516 HG3 GLN 65 HG3 GLN 65 47.759 18.647 36.860 517 HE21 GLN 65 HE21 GLN 65 46.479 20.112 38.965 518 HE22 GLN 65 HE22 GLN 65 44.888 20.453 38.484 519 H LEU 66 H LEU 66 47.495 15.305 34.176 520 HA LEU 66 HA LEU 66 46.397 12.743 34.695 521 HB2 LEU 66 HB2 LEU 66 47.450 13.901 32.103 522 HB3 LEU 66 HB3 LEU 66 46.479 12.437 32.239 523 HG LEU 66 HG LEU 66 45.588 15.184 33.169 524 HD11 LEU 66 HD11 LEU 66 45.549 15.356 30.831 525 HD12 LEU 66 HD12 LEU 66 43.931 14.743 31.180 526 HD13 LEU 66 HD13 LEU 66 45.188 13.643 30.615 527 HD21 LEU 66 HD21 LEU 66 44.455 13.497 34.440 528 HD22 LEU 66 HD22 LEU 66 44.245 12.473 33.019 529 HD23 LEU 66 HD23 LEU 66 43.337 13.980 33.165 530 H ALA 67 H ALA 67 49.644 13.799 33.798 531 HA ALA 67 HA ALA 67 50.779 11.300 33.243 532 HB1 ALA 67 HB1 ALA 67 51.968 13.789 34.484 533 HB2 ALA 67 HB2 ALA 67 52.022 13.309 32.787 534 HB3 ALA 67 HB3 ALA 67 52.922 12.389 33.994 535 H ALA 68 H ALA 68 50.295 12.986 36.333 536 HA ALA 68 HA ALA 68 50.165 12.169 38.472 537 HB1 ALA 68 HB1 ALA 68 48.709 10.492 36.927 538 HB2 ALA 68 HB2 ALA 68 48.897 10.269 38.667 539 HB3 ALA 68 HB3 ALA 68 49.905 9.353 37.548 540 H ALA 69 H ALA 69 51.217 9.211 38.979 541 HA ALA 69 HA ALA 69 53.689 10.055 40.012 542 HB1 ALA 69 HB1 ALA 69 52.405 8.141 40.882 543 HB2 ALA 69 HB2 ALA 69 54.069 7.696 40.502 544 HB3 ALA 69 HB3 ALA 69 52.762 7.241 39.408 545 H ASP 70 H ASP 70 52.893 9.089 36.776 546 HA ASP 70 HA ASP 70 55.605 8.119 36.233 547 HB2 ASP 70 HB2 ASP 70 53.117 8.223 34.529 548 HB3 ASP 70 HB3 ASP 70 54.672 7.602 33.979 549 H TRP 71 H TRP 71 54.540 11.156 36.512 550 HA TRP 71 HA TRP 71 55.007 12.507 34.180 551 HB2 TRP 71 HB2 TRP 71 54.267 13.682 36.094 552 HB3 TRP 71 HB3 TRP 71 55.686 13.246 37.013 553 HD1 TRP 71 HD1 TRP 71 57.373 15.091 37.244 554 HE1 TRP 71 HE1 TRP 71 57.973 17.231 35.941 555 HE3 TRP 71 HE3 TRP 71 54.192 14.646 33.267 556 HZ2 TRP 71 HZ2 TRP 71 57.238 18.565 33.530 557 HZ3 TRP 71 HZ3 TRP 71 54.172 16.362 31.482 558 HH2 TRP 71 HH2 TRP 71 55.691 18.320 31.606 559 HA PRO 72 HA PRO 72 59.898 12.460 35.169 560 HB2 PRO 72 HB2 PRO 72 59.795 9.540 35.845 561 HB3 PRO 72 HB3 PRO 72 60.964 10.775 36.356 562 HG2 PRO 72 HG2 PRO 72 59.035 9.940 37.982 563 HG3 PRO 72 HG3 PRO 72 59.573 11.629 37.963 564 HD2 PRO 72 HD2 PRO 72 57.035 10.470 36.973 565 HD3 PRO 72 HD3 PRO 72 57.393 12.131 37.492 566 H GLU 73 H GLU 73 58.017 9.645 33.963 567 HA GLU 73 HA GLU 73 59.921 9.142 31.841 568 HB2 GLU 73 HB2 GLU 73 57.149 8.037 32.356 569 HB3 GLU 73 HB3 GLU 73 58.241 7.471 31.091 570 HG2 GLU 73 HG2 GLU 73 59.938 6.941 32.833 571 HG3 GLU 73 HG3 GLU 73 58.789 7.426 34.071 572 H ILE 74 H ILE 74 56.616 10.418 32.067 573 HA ILE 74 HA ILE 74 56.200 10.816 29.319 574 HB ILE 74 HB ILE 74 55.004 12.277 31.688 575 HG12 ILE 74 HG12 ILE 74 53.900 9.976 30.057 576 HG13 ILE 74 HG13 ILE 74 54.790 9.743 31.558 577 HG21 ILE 74 HG21 ILE 74 53.918 11.993 28.868 578 HG22 ILE 74 HG22 ILE 74 54.703 13.451 29.477 579 HG23 ILE 74 HG23 ILE 74 53.193 12.896 30.198 580 HD11 ILE 74 HD11 ILE 74 52.143 9.935 31.559 581 HD12 ILE 74 HD12 ILE 74 52.493 11.663 31.573 582 HD13 ILE 74 HD13 ILE 74 53.103 10.629 32.863 583 H GLY 75 H GLY 75 57.804 12.831 31.709 584 HA2 GLY 75 HA2 GLY 75 57.757 15.302 30.405 585 HA3 GLY 75 HA3 GLY 75 58.976 14.790 31.561 586 H ARG 76 H ARG 76 59.575 12.458 29.613 587 HA ARG 76 HA ARG 76 61.804 13.645 28.342 588 HB2 ARG 76 HB2 ARG 76 60.441 10.985 27.895 589 HB3 ARG 76 HB3 ARG 76 62.001 11.438 27.203 590 HG2 ARG 76 HG2 ARG 76 62.890 11.837 29.468 591 HG3 ARG 76 HG3 ARG 76 61.343 11.347 30.162 592 HD2 ARG 76 HD2 ARG 76 61.622 9.137 28.991 593 HD3 ARG 76 HD3 ARG 76 63.249 9.645 28.547 594 HE ARG 76 HE ARG 76 62.313 8.893 31.206 595 HH11 ARG 76 HH11 ARG 76 64.896 10.340 29.322 596 HH12 ARG 76 HH12 ARG 76 66.075 10.098 30.567 597 HH21 ARG 76 HH21 ARG 76 63.874 8.607 32.771 598 HH22 ARG 76 HH22 ARG 76 65.503 9.129 32.496 599 H LEU 77 H LEU 77 58.506 13.155 27.265 600 HA LEU 77 HA LEU 77 58.967 13.067 24.497 601 HB2 LEU 77 HB2 LEU 77 56.546 14.061 26.016 602 HB3 LEU 77 HB3 LEU 77 56.579 13.693 24.291 603 HG LEU 77 HG LEU 77 57.475 11.614 26.270 604 HD11 LEU 77 HD11 LEU 77 55.317 12.262 27.137 605 HD12 LEU 77 HD12 LEU 77 55.096 10.770 26.226 606 HD13 LEU 77 HD13 LEU 77 54.624 12.314 25.516 607 HD21 LEU 77 HD21 LEU 77 56.505 10.148 24.453 608 HD22 LEU 77 HD22 LEU 77 57.866 11.139 23.929 609 HD23 LEU 77 HD23 LEU 77 56.218 11.610 23.509 610 HA PRO 78 HA PRO 78 59.765 17.412 23.682 611 HB2 PRO 78 HB2 PRO 78 58.952 17.640 21.092 612 HB3 PRO 78 HB3 PRO 78 60.457 16.817 21.553 613 HG2 PRO 78 HG2 PRO 78 57.819 15.667 20.814 614 HG3 PRO 78 HG3 PRO 78 59.452 15.103 20.415 615 HD2 PRO 78 HD2 PRO 78 57.919 13.995 22.411 616 HD3 PRO 78 HD3 PRO 78 59.695 13.967 22.400 617 H LEU 79 H LEU 79 58.518 19.016 24.503 618 HA LEU 79 HA LEU 79 55.636 19.058 23.864 619 HB2 LEU 79 HB2 LEU 79 56.346 19.148 26.257 620 HB3 LEU 79 HB3 LEU 79 57.157 20.676 25.921 621 HG LEU 79 HG LEU 79 54.925 21.536 25.051 622 HD11 LEU 79 HD11 LEU 79 52.986 20.194 26.186 623 HD12 LEU 79 HD12 LEU 79 54.127 18.851 26.153 624 HD13 LEU 79 HD13 LEU 79 53.630 19.623 24.647 625 HD21 LEU 79 HD21 LEU 79 55.956 21.854 27.414 626 HD22 LEU 79 HD22 LEU 79 54.743 20.687 27.940 627 HD23 LEU 79 HD23 LEU 79 54.241 22.210 27.208 628 H PHE 80 H PHE 80 54.945 20.399 22.322 629 HA PHE 80 HA PHE 80 56.610 22.607 21.382 630 HB2 PHE 80 HB2 PHE 80 53.845 21.693 20.559 631 HB3 PHE 80 HB3 PHE 80 54.741 22.981 19.791 632 HD1 PHE 80 HD1 PHE 80 53.920 19.545 19.721 633 HD2 PHE 80 HD2 PHE 80 57.097 22.287 18.799 634 HE1 PHE 80 HE1 PHE 80 54.867 17.908 18.123 635 HE2 PHE 80 HE2 PHE 80 58.045 20.644 17.199 636 HZ PHE 80 HZ PHE 80 56.917 18.461 16.850 637 H VAL 81 H VAL 81 56.429 24.612 22.237 638 HA VAL 81 HA VAL 81 53.848 25.395 23.471 639 HB VAL 81 HB VAL 81 55.101 26.909 24.915 640 HG11 VAL 81 HG11 VAL 81 56.097 24.049 24.882 641 HG12 VAL 81 HG12 VAL 81 54.699 24.676 25.756 642 HG13 VAL 81 HG13 VAL 81 56.327 25.158 26.233 643 HG21 VAL 81 HG21 VAL 81 57.034 27.608 23.853 644 HG22 VAL 81 HG22 VAL 81 57.377 26.012 23.191 645 HG23 VAL 81 HG23 VAL 81 57.716 26.351 24.886 646 HA PRO 82 HA PRO 82 53.701 28.400 20.278 647 HB2 PRO 82 HB2 PRO 82 51.911 30.185 21.208 648 HB3 PRO 82 HB3 PRO 82 51.448 28.517 20.806 649 HG2 PRO 82 HG2 PRO 82 51.960 29.748 23.463 650 HG3 PRO 82 HG3 PRO 82 50.730 28.567 22.982 651 HD2 PRO 82 HD2 PRO 82 53.094 27.915 24.274 652 HD3 PRO 82 HD3 PRO 82 52.131 26.783 23.301 653 H SER 83 H SER 83 54.710 29.483 23.447 654 HA SER 83 HA SER 83 55.995 31.839 22.252 655 HB2 SER 83 HB2 SER 83 55.008 33.393 23.741 656 HB3 SER 83 HB3 SER 83 53.668 32.420 23.144 657 HG SER 83 HG SER 83 53.900 32.737 25.492 658 HA PRO 84 HA PRO 84 59.327 31.003 25.071 659 HB2 PRO 84 HB2 PRO 84 59.194 33.820 26.036 660 HB3 PRO 84 HB3 PRO 84 60.570 32.916 25.374 661 HG2 PRO 84 HG2 PRO 84 59.318 34.782 23.952 662 HG3 PRO 84 HG3 PRO 84 59.960 33.309 23.200 663 HD2 PRO 84 HD2 PRO 84 57.124 34.018 23.819 664 HD3 PRO 84 HD3 PRO 84 57.783 33.057 22.475 665 H ARG 85 H ARG 85 56.767 33.096 26.429 666 HA ARG 85 HA ARG 85 57.265 32.605 29.138 667 HB2 ARG 85 HB2 ARG 85 55.730 34.357 28.253 668 HB3 ARG 85 HB3 ARG 85 54.574 33.093 27.835 669 HG2 ARG 85 HG2 ARG 85 53.849 33.888 29.945 670 HG3 ARG 85 HG3 ARG 85 54.708 32.396 30.314 671 HD2 ARG 85 HD2 ARG 85 56.747 33.722 30.827 672 HD3 ARG 85 HD3 ARG 85 55.843 35.199 30.510 673 HE ARG 85 HE ARG 85 54.709 33.417 32.519 674 HH11 ARG 85 HH11 ARG 85 56.700 36.247 31.921 675 HH12 ARG 85 HH12 ARG 85 56.513 36.843 33.537 676 HH21 ARG 85 HH21 ARG 85 54.506 34.235 34.585 677 HH22 ARG 85 HH22 ARG 85 55.287 35.717 35.024 678 H VAL 86 H VAL 86 55.020 30.922 26.919 679 HA VAL 86 HA VAL 86 54.097 29.014 28.763 680 HB VAL 86 HB VAL 86 54.456 28.712 25.770 681 HG11 VAL 86 HG11 VAL 86 52.464 27.135 26.119 682 HG12 VAL 86 HG12 VAL 86 52.857 27.186 27.837 683 HG13 VAL 86 HG13 VAL 86 54.027 26.546 26.683 684 HG21 VAL 86 HG21 VAL 86 52.003 29.559 27.334 685 HG22 VAL 86 HG22 VAL 86 52.201 29.546 25.581 686 HG23 VAL 86 HG23 VAL 86 53.105 30.700 26.563 687 H ALA 87 H ALA 87 56.935 29.015 26.638 688 HA ALA 87 HA ALA 87 57.815 26.395 27.058 689 HB1 ALA 87 HB1 ALA 87 58.723 28.366 25.540 690 HB2 ALA 87 HB2 ALA 87 59.795 27.070 26.073 691 HB3 ALA 87 HB3 ALA 87 59.805 28.624 26.909 692 H GLU 88 H GLU 88 58.378 29.338 28.952 693 HA GLU 88 HA GLU 88 60.195 28.265 30.808 694 HB2 GLU 88 HB2 GLU 88 58.148 30.467 31.155 695 HB3 GLU 88 HB3 GLU 88 59.448 30.118 32.294 696 HG2 GLU 88 HG2 GLU 88 59.832 30.840 29.376 697 HG3 GLU 88 HG3 GLU 88 60.059 31.941 30.729 698 H MET 89 H MET 89 56.645 28.349 30.807 699 HA MET 89 HA MET 89 56.187 27.293 33.363 700 HB2 MET 89 HB2 MET 89 54.620 26.874 30.802 701 HB3 MET 89 HB3 MET 89 54.025 26.492 32.414 702 HG2 MET 89 HG2 MET 89 54.892 29.245 31.481 703 HG3 MET 89 HG3 MET 89 53.222 28.706 31.630 704 HE1 MET 89 HE1 MET 89 52.489 28.291 35.230 705 HE2 MET 89 HE2 MET 89 53.370 26.943 34.515 706 HE3 MET 89 HE3 MET 89 52.188 27.826 33.550 707 H ALA 90 H ALA 90 56.694 25.658 30.266 708 HA ALA 90 HA ALA 90 56.343 23.017 31.176 709 HB1 ALA 90 HB1 ALA 90 56.347 23.386 28.827 710 HB2 ALA 90 HB2 ALA 90 57.792 22.433 29.164 711 HB3 ALA 90 HB3 ALA 90 57.926 24.168 28.878 712 H ARG 91 H ARG 91 59.232 25.063 31.023 713 HA ARG 91 HA ARG 91 61.102 23.101 31.788 714 HB2 ARG 91 HB2 ARG 91 61.151 26.092 32.259 715 HB3 ARG 91 HB3 ARG 91 62.533 25.018 32.451 716 HG2 ARG 91 HG2 ARG 91 60.988 25.304 29.863 717 HG3 ARG 91 HG3 ARG 91 62.445 26.223 30.233 718 HD2 ARG 91 HD2 ARG 91 63.650 24.046 30.585 719 HD3 ARG 91 HD3 ARG 91 62.207 23.208 30.022 720 HE ARG 91 HE ARG 91 62.689 24.948 28.010 721 HH11 ARG 91 HH11 ARG 91 64.786 22.656 29.647 722 HH12 ARG 91 HH12 ARG 91 65.778 22.412 28.248 723 HH21 ARG 91 HH21 ARG 91 64.001 24.592 26.242 724 HH22 ARG 91 HH22 ARG 91 65.337 23.494 26.343 725 H GLU 92 H GLU 92 59.139 25.334 33.738 726 HA GLU 92 HA GLU 92 60.396 24.829 36.203 727 HB2 GLU 92 HB2 GLU 92 57.560 25.676 35.594 728 HB3 GLU 92 HB3 GLU 92 58.265 25.664 37.211 729 HG2 GLU 92 HG2 GLU 92 60.061 27.182 36.413 730 HG3 GLU 92 HG3 GLU 92 59.292 27.239 34.835 731 H LEU 93 H LEU 93 57.727 23.151 34.581 732 HA LEU 93 HA LEU 93 57.140 21.386 36.722 733 HB2 LEU 93 HB2 LEU 93 56.793 20.901 33.758 734 HB3 LEU 93 HB3 LEU 93 56.058 19.956 35.045 735 HG LEU 93 HG LEU 93 55.559 22.899 34.493 736 HD11 LEU 93 HD11 LEU 93 54.483 21.461 32.856 737 HD12 LEU 93 HD12 LEU 93 53.252 22.021 33.989 738 HD13 LEU 93 HD13 LEU 93 53.903 20.386 34.130 739 HD21 LEU 93 HD21 LEU 93 54.630 21.018 36.669 740 HD22 LEU 93 HD22 LEU 93 53.652 22.405 36.189 741 HD23 LEU 93 HD23 LEU 93 55.274 22.651 36.836 742 H GLY 94 H GLY 94 59.820 21.420 34.522 743 HA2 GLY 94 HA2 GLY 94 61.716 20.005 34.965 744 HA3 GLY 94 HA3 GLY 94 60.614 18.747 35.495 745 H ALA 95 H ALA 95 59.613 20.354 32.577 746 HA ALA 95 HA ALA 95 59.616 17.971 31.093 747 HB1 ALA 95 HB1 ALA 95 58.208 19.902 30.514 748 HB2 ALA 95 HB2 ALA 95 59.195 19.409 29.138 749 HB3 ALA 95 HB3 ALA 95 59.646 20.828 30.084 750 H GLN 96 H GLN 96 61.178 16.906 30.084 751 HA GLN 96 HA GLN 96 63.880 17.807 30.468 752 HB2 GLN 96 HB2 GLN 96 62.777 15.295 29.194 753 HB3 GLN 96 HB3 GLN 96 64.483 15.586 29.553 754 HG2 GLN 96 HG2 GLN 96 63.854 15.980 31.947 755 HG3 GLN 96 HG3 GLN 96 62.207 15.511 31.551 756 HE21 GLN 96 HE21 GLN 96 61.734 13.265 31.518 757 HE22 GLN 96 HE22 GLN 96 62.905 12.067 31.763 758 H ARG 97 H ARG 97 61.687 17.533 27.719 759 HA ARG 97 HA ARG 97 63.706 18.990 26.116 760 HB2 ARG 97 HB2 ARG 97 63.476 16.629 25.348 761 HB3 ARG 97 HB3 ARG 97 61.760 16.916 25.072 762 HG2 ARG 97 HG2 ARG 97 62.765 17.235 22.951 763 HG3 ARG 97 HG3 ARG 97 62.504 18.867 23.561 764 HD2 ARG 97 HD2 ARG 97 64.856 18.912 24.373 765 HD3 ARG 97 HD3 ARG 97 65.101 17.308 23.689 766 HE ARG 97 HE ARG 97 64.217 18.705 21.557 767 HH11 ARG 97 HH11 ARG 97 66.730 19.436 23.897 768 HH12 ARG 97 HH12 ARG 97 67.657 20.360 22.762 769 HH21 ARG 97 HH21 ARG 97 65.453 19.907 20.141 770 HH22 ARG 97 HH22 ARG 97 66.942 20.624 20.664 771 H VAL 98 H VAL 98 62.958 21.004 25.935 772 HA VAL 98 HA VAL 98 60.059 21.410 25.456 773 HB VAL 98 HB VAL 98 62.051 23.359 26.644 774 HG11 VAL 98 HG11 VAL 98 60.167 24.396 25.412 775 HG12 VAL 98 HG12 VAL 98 60.047 24.690 27.147 776 HG13 VAL 98 HG13 VAL 98 59.030 23.466 26.388 777 HG21 VAL 98 HG21 VAL 98 61.699 21.670 28.296 778 HG22 VAL 98 HG22 VAL 98 59.990 21.522 27.890 779 HG23 VAL 98 HG23 VAL 98 60.578 22.962 28.721 780 H ILE 99 H ILE 99 59.460 22.379 23.609 781 HA ILE 99 HA ILE 99 61.588 23.406 21.824 782 HB ILE 99 HB ILE 99 59.101 21.818 21.129 783 HG12 ILE 99 HG12 ILE 99 62.016 21.062 20.793 784 HG13 ILE 99 HG13 ILE 99 61.059 20.591 22.195 785 HG21 ILE 99 HG21 ILE 99 61.088 23.328 19.481 786 HG22 ILE 99 HG22 ILE 99 59.358 23.094 19.227 787 HG23 ILE 99 HG23 ILE 99 60.488 21.795 18.845 788 HD11 ILE 99 HD11 ILE 99 59.377 19.615 20.518 789 HD12 ILE 99 HD12 ILE 99 60.903 18.749 20.701 790 HD13 ILE 99 HD13 ILE 99 60.646 19.802 19.310 791 H ASP 100 H ASP 100 61.339 25.485 21.300 792 HA ASP 100 HA ASP 100 58.728 26.772 21.656 793 HB2 ASP 100 HB2 ASP 100 60.773 27.853 22.573 794 HB3 ASP 100 HB3 ASP 100 61.402 27.995 20.932 795 H CYS 101 H CYS 101 57.375 26.916 19.971 796 HA CYS 101 HA CYS 101 58.452 26.570 17.264 797 HB2 CYS 101 HB2 CYS 101 56.165 26.114 16.592 798 HB3 CYS 101 HB3 CYS 101 56.591 25.125 17.987 799 HG CYS 101 HG CYS 101 54.781 27.672 18.162 800 H ARG 102 H ARG 102 57.690 29.201 19.206 801 HA ARG 102 HA ARG 102 56.193 30.892 17.569 802 HB2 ARG 102 HB2 ARG 102 56.855 31.378 19.923 803 HB3 ARG 102 HB3 ARG 102 58.494 31.706 19.357 804 HG2 ARG 102 HG2 ARG 102 57.673 33.508 17.922 805 HG3 ARG 102 HG3 ARG 102 56.011 33.155 18.394 806 HD2 ARG 102 HD2 ARG 102 56.754 35.020 19.727 807 HD3 ARG 102 HD3 ARG 102 56.675 33.612 20.781 808 HE ARG 102 HE ARG 102 58.990 33.673 20.982 809 HH11 ARG 102 HH11 ARG 102 58.024 35.849 18.401 810 HH12 ARG 102 HH12 ARG 102 59.604 36.542 18.260 811 HH21 ARG 102 HH21 ARG 102 61.004 34.605 20.753 812 HH22 ARG 102 HH22 ARG 102 61.270 35.846 19.575 813 H GLY 103 H GLY 103 59.669 30.209 17.549 814 HA2 GLY 103 HA2 GLY 103 60.087 32.038 15.306 815 HA3 GLY 103 HA3 GLY 103 61.335 31.151 16.174 816 H ALA 104 H ALA 104 60.004 28.569 15.979 817 HA ALA 104 HA ALA 104 60.925 27.865 13.322 818 HB1 ALA 104 HB1 ALA 104 60.961 25.674 14.070 819 HB2 ALA 104 HB2 ALA 104 59.595 25.913 15.161 820 HB3 ALA 104 HB3 ALA 104 61.186 26.546 15.587 821 H SER 105 H SER 105 59.705 27.450 11.586 822 HA SER 105 HA SER 105 56.869 27.965 11.676 823 HB2 SER 105 HB2 SER 105 56.938 27.755 9.291 824 HB3 SER 105 HB3 SER 105 58.406 28.599 9.770 825 HG SER 105 HG SER 105 59.418 26.989 8.924 826 H ALA 106 H ALA 106 55.329 26.421 10.591 827 HA ALA 106 HA ALA 106 55.036 24.069 11.966 828 HB1 ALA 106 HB1 ALA 106 53.202 24.957 10.725 829 HB2 ALA 106 HB2 ALA 106 53.535 23.345 10.094 830 HB3 ALA 106 HB3 ALA 106 54.063 24.770 9.199 831 HA PRO 107 HA PRO 107 57.008 21.427 8.441 832 HB2 PRO 107 HB2 PRO 107 59.003 22.752 6.991 833 HB3 PRO 107 HB3 PRO 107 57.381 22.351 6.401 834 HG2 PRO 107 HG2 PRO 107 58.437 24.913 7.423 835 HG3 PRO 107 HG3 PRO 107 57.218 24.602 6.175 836 HD2 PRO 107 HD2 PRO 107 56.562 25.464 8.643 837 HD3 PRO 107 HD3 PRO 107 55.494 24.404 7.705 838 H ALA 108 H ALA 108 58.890 24.039 9.919 839 HA ALA 108 HA ALA 108 61.268 22.611 10.407 840 HB1 ALA 108 HB1 ALA 108 61.815 24.322 11.947 841 HB2 ALA 108 HB2 ALA 108 60.119 24.654 12.306 842 HB3 ALA 108 HB3 ALA 108 60.797 25.117 10.746 843 H LEU 109 H LEU 109 58.291 22.926 12.313 844 HA LEU 109 HA LEU 109 59.084 21.433 14.551 845 HB2 LEU 109 HB2 LEU 109 56.318 21.603 13.329 846 HB3 LEU 109 HB3 LEU 109 56.697 21.127 14.983 847 HG LEU 109 HG LEU 109 57.338 23.831 13.766 848 HD11 LEU 109 HD11 LEU 109 54.875 23.230 14.209 849 HD12 LEU 109 HD12 LEU 109 55.486 24.698 14.972 850 HD13 LEU 109 HD13 LEU 109 55.309 23.220 15.919 851 HD21 LEU 109 HD21 LEU 109 58.926 23.296 15.506 852 HD22 LEU 109 HD22 LEU 109 57.647 22.683 16.556 853 HD23 LEU 109 HD23 LEU 109 57.745 24.407 16.198 854 H LEU 110 H LEU 110 57.678 20.405 11.464 855 HA LEU 110 HA LEU 110 57.281 17.690 12.029 856 HB2 LEU 110 HB2 LEU 110 56.515 18.818 9.959 857 HB3 LEU 110 HB3 LEU 110 58.188 18.927 9.415 858 HG LEU 110 HG LEU 110 58.327 16.415 9.589 859 HD11 LEU 110 HD11 LEU 110 56.050 15.267 9.564 860 HD12 LEU 110 HD12 LEU 110 55.376 16.794 10.137 861 HD13 LEU 110 HD13 LEU 110 56.554 15.926 11.121 862 HD21 LEU 110 HD21 LEU 110 58.029 17.238 7.396 863 HD22 LEU 110 HD22 LEU 110 56.390 17.795 7.732 864 HD23 LEU 110 HD23 LEU 110 56.721 16.069 7.578 865 H ALA 111 H ALA 111 60.154 19.384 10.834 866 HA ALA 111 HA ALA 111 61.828 17.140 10.548 867 HB1 ALA 111 HB1 ALA 111 63.673 18.928 11.014 868 HB2 ALA 111 HB2 ALA 111 62.327 20.067 10.994 869 HB3 ALA 111 HB3 ALA 111 62.671 19.086 9.570 870 H ALA 112 H ALA 112 61.201 19.237 13.333 871 HA ALA 112 HA ALA 112 63.138 18.180 15.067 872 HB1 ALA 112 HB1 ALA 112 61.889 19.196 16.849 873 HB2 ALA 112 HB2 ALA 112 60.413 19.208 15.883 874 HB3 ALA 112 HB3 ALA 112 61.761 20.257 15.446 875 H LEU 113 H LEU 113 59.813 17.149 14.410 876 HA LEU 113 HA LEU 113 59.554 15.239 16.449 877 HB2 LEU 113 HB2 LEU 113 58.290 15.706 13.785 878 HB3 LEU 113 HB3 LEU 113 58.036 14.130 14.528 879 HG LEU 113 HG LEU 113 57.634 16.607 16.178 880 HD11 LEU 113 HD11 LEU 113 56.337 17.068 14.165 881 HD12 LEU 113 HD12 LEU 113 55.235 16.596 15.459 882 HD13 LEU 113 HD13 LEU 113 55.656 15.441 14.195 883 HD21 LEU 113 HD21 LEU 113 55.792 15.016 17.064 884 HD22 LEU 113 HD22 LEU 113 57.467 14.588 17.412 885 HD23 LEU 113 HD23 LEU 113 56.601 13.771 16.110 886 H THR 114 H THR 114 60.667 14.864 13.098 887 HA THR 114 HA THR 114 61.091 12.070 13.281 888 HB THR 114 HB THR 114 62.349 12.319 11.186 889 HG1 THR 114 HG1 THR 114 63.366 14.127 11.072 890 HG21 THR 114 HG21 THR 114 60.072 14.263 10.991 891 HG22 THR 114 HG22 THR 114 59.741 12.597 11.466 892 HG23 THR 114 HG23 THR 114 60.501 12.937 9.911 893 H SER 115 H SER 115 63.295 14.816 13.761 894 HA SER 115 HA SER 115 65.666 13.331 14.037 895 HB2 SER 115 HB2 SER 115 64.951 15.943 15.386 896 HB3 SER 115 HB3 SER 115 66.572 15.307 15.131 897 HG SER 115 HG SER 115 65.616 16.822 13.534 898 H ALA 116 H ALA 116 63.259 14.328 16.453 899 HA ALA 116 HA ALA 116 64.657 13.450 18.730 900 HB1 ALA 116 HB1 ALA 116 62.741 14.942 18.905 901 HB2 ALA 116 HB2 ALA 116 62.431 13.474 19.831 902 HB3 ALA 116 HB3 ALA 116 61.678 13.695 18.251 903 H ALA 117 H ALA 117 62.275 11.780 16.675 904 HA ALA 117 HA ALA 117 62.132 9.404 18.172 905 HB1 ALA 117 HB1 ALA 117 61.126 8.420 16.238 906 HB2 ALA 117 HB2 ALA 117 61.882 9.600 15.167 907 HB3 ALA 117 HB3 ALA 117 60.609 10.106 16.276 908 H LEU 118 H LEU 118 64.327 10.396 15.574 909 HA LEU 118 HA LEU 118 65.639 7.904 15.278 910 HB2 LEU 118 HB2 LEU 118 66.581 10.718 14.700 911 HB3 LEU 118 HB3 LEU 118 67.451 9.262 14.217 912 HG LEU 118 HG LEU 118 64.572 9.802 13.451 913 HD11 LEU 118 HD11 LEU 118 67.038 10.151 11.724 914 HD12 LEU 118 HD12 LEU 118 66.222 11.493 12.527 915 HD13 LEU 118 HD13 LEU 118 65.372 10.549 11.304 916 HD21 LEU 118 HD21 LEU 118 65.343 8.100 11.630 917 HD22 LEU 118 HD22 LEU 118 64.986 7.492 13.247 918 HD23 LEU 118 HD23 LEU 118 66.659 7.744 12.750 919 H GLU 119 H GLU 119 66.187 10.629 17.457 920 HA GLU 119 HA GLU 119 68.605 9.345 18.513 921 HB2 GLU 119 HB2 GLU 119 68.574 11.801 18.011 922 HB3 GLU 119 HB3 GLU 119 67.371 11.998 19.286 923 HG2 GLU 119 HG2 GLU 119 68.962 10.974 20.903 924 HG3 GLU 119 HG3 GLU 119 70.167 10.882 19.628 925 H HIS 120 H HIS 120 68.619 8.218 20.356 926 HA HIS 120 HA HIS 120 66.123 8.053 21.893 927 HB2 HIS 120 HB2 HIS 120 68.579 6.304 21.872 928 HB3 HIS 120 HB3 HIS 120 67.183 6.043 22.901 929 HD1 HIS 120 HD1 HIS 120 68.383 5.715 19.376 930 HD2 HIS 120 HD2 HIS 120 64.876 5.041 21.528 931 HE1 HIS 120 HE1 HIS 120 66.867 4.362 17.867 932 H HIS 121 H HIS 121 69.455 9.096 22.228 933 HA HIS 121 HA HIS 121 68.928 9.748 25.075 934 HB2 HIS 121 HB2 HIS 121 70.585 7.961 24.852 935 HB3 HIS 121 HB3 HIS 121 71.530 8.955 23.760 936 HD1 HIS 121 HD1 HIS 121 73.076 10.701 24.794 937 HD2 HIS 121 HD2 HIS 121 70.667 8.799 27.616 938 HE1 HIS 121 HE1 HIS 121 73.966 11.376 27.064 939 H HIS 122 H HIS 122 68.648 11.873 25.258 940 HA HIS 122 HA HIS 122 70.632 13.656 24.032 941 HB2 HIS 122 HB2 HIS 122 68.729 13.644 22.493 942 HB3 HIS 122 HB3 HIS 122 67.643 14.031 23.814 943 HD1 HIS 122 HD1 HIS 122 68.331 16.434 25.063 944 HD2 HIS 122 HD2 HIS 122 69.583 15.864 21.127 945 HE1 HIS 122 HE1 HIS 122 68.871 18.730 24.144 946 H HIS 123 H HIS 123 71.532 14.571 25.775 947 HA HIS 123 HA HIS 123 69.736 15.713 27.836 948 HB2 HIS 123 HB2 HIS 123 72.341 14.246 28.236 949 HB3 HIS 123 HB3 HIS 123 71.575 15.219 29.476 950 HD1 HIS 123 HD1 HIS 123 71.134 12.031 27.514 951 HD2 HIS 123 HD2 HIS 123 69.395 13.974 30.765 952 HE1 HIS 123 HE1 HIS 123 69.559 10.363 28.584 953 H HIS 124 H HIS 124 70.028 17.812 28.184 954 HA HIS 124 HA HIS 124 71.820 19.404 26.729 955 HB2 HIS 124 HB2 HIS 124 70.449 20.006 29.352 956 HB3 HIS 124 HB3 HIS 124 71.212 21.193 28.311 957 HD1 HIS 124 HD1 HIS 124 70.100 21.303 25.788 958 HD2 HIS 124 HD2 HIS 124 67.781 19.609 28.811 959 HE1 HIS 124 HE1 HIS 124 67.711 21.324 24.954 960 H HIS 125 H HIS 125 72.040 18.055 29.995 961 HA HIS 125 HA HIS 125 74.926 18.686 29.998 962 HB2 HIS 125 HB2 HIS 125 73.744 20.326 31.406 963 HB3 HIS 125 HB3 HIS 125 73.031 19.016 32.328 964 HD1 HIS 125 HD1 HIS 125 74.503 17.864 34.089 965 HD2 HIS 125 HD2 HIS 125 76.533 20.778 31.906 966 HE1 HIS 125 HE1 HIS 125 76.704 18.246 35.279
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