NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
646742 | 6y8v | 34494 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -3 H1 GLY -3 -0.554 -1.174 -8.177 2 H2 GLY -3 H2 GLY -3 0.175 0.233 -8.604 3 H3 GLY -3 H3 GLY -3 -1.451 0.156 -8.514 4 HA2 GLY -3 HA2 GLY -3 -1.357 -0.225 -6.123 5 HA3 GLY -3 HA3 GLY -3 0.405 -0.136 -6.235 6 HA PRO -2 HA PRO -2 -1.833 4.200 -6.101 7 HB2 PRO -2 HB2 PRO -2 -1.773 3.830 -3.100 8 HB3 PRO -2 HB3 PRO -2 -2.928 4.770 -4.092 9 HG2 PRO -2 HG2 PRO -2 -3.654 2.356 -3.183 10 HG3 PRO -2 HG3 PRO -2 -3.984 2.792 -4.895 11 HD2 PRO -2 HD2 PRO -2 -1.683 1.134 -3.792 12 HD3 PRO -2 HD3 PRO -2 -2.774 0.776 -5.166 13 H GLY -1 H GLY -1 -0.823 6.180 -5.470 14 HA2 GLY -1 HA2 GLY -1 2.059 6.067 -5.208 15 HA3 GLY -1 HA3 GLY -1 1.052 7.508 -5.313 16 H SER 0 H SER 0 3.133 5.866 -3.314 17 HA SER 0 HA SER 0 1.880 6.507 -0.725 18 HB2 SER 0 HB2 SER 0 3.883 5.422 0.187 19 HB3 SER 0 HB3 SER 0 3.087 4.414 -1.027 20 HG SER 0 HG SER 0 5.347 4.458 -1.347 21 H MET 1 H MET 1 3.746 8.255 -2.925 22 HA MET 1 HA MET 1 5.589 9.624 -1.224 23 HB2 MET 1 HB2 MET 1 4.466 10.312 -3.970 24 HB3 MET 1 HB3 MET 1 5.773 11.208 -3.201 25 HG2 MET 1 HG2 MET 1 5.857 8.227 -3.827 26 HG3 MET 1 HG3 MET 1 6.511 9.476 -4.867 27 HE1 MET 1 HE1 MET 1 8.076 11.527 -2.990 28 HE2 MET 1 HE2 MET 1 9.670 10.744 -3.103 29 HE3 MET 1 HE3 MET 1 8.604 10.801 -4.533 30 H CYS 2 H CYS 2 5.700 11.796 -0.607 31 HA CYS 2 HA CYS 2 3.384 13.557 -0.932 32 HB2 CYS 2 HB2 CYS 2 3.094 12.494 1.300 33 HB3 CYS 2 HB3 CYS 2 4.669 13.120 1.787 34 H MET 3 H MET 3 3.983 15.818 -0.542 35 HA MET 3 HA MET 3 6.809 16.524 -0.332 36 HB2 MET 3 HB2 MET 3 6.900 17.901 -2.315 37 HB3 MET 3 HB3 MET 3 6.506 16.253 -2.760 38 HG2 MET 3 HG2 MET 3 5.144 17.541 -4.104 39 HG3 MET 3 HG3 MET 3 4.046 16.987 -2.842 40 HE1 MET 3 HE1 MET 3 2.705 20.545 -3.958 41 HE2 MET 3 HE2 MET 3 3.498 19.310 -4.973 42 HE3 MET 3 HE3 MET 3 2.313 18.825 -3.745 43 H ALA 4 H ALA 4 7.068 18.893 -0.009 44 HA ALA 4 HA ALA 4 4.646 20.162 1.214 45 HB1 ALA 4 HB1 ALA 4 6.122 20.980 3.041 46 HB2 ALA 4 HB2 ALA 4 6.000 19.220 2.995 47 HB3 ALA 4 HB3 ALA 4 7.459 20.028 2.363 48 H LYS 5 H LYS 5 4.976 22.499 1.652 49 HA LYS 5 HA LYS 5 6.883 23.823 -0.234 50 HB2 LYS 5 HB2 LYS 5 5.680 25.889 0.050 51 HB3 LYS 5 HB3 LYS 5 4.609 24.643 -0.602 52 HG2 LYS 5 HG2 LYS 5 3.522 24.359 1.565 53 HG3 LYS 5 HG3 LYS 5 4.697 25.422 2.356 54 HD2 LYS 5 HD2 LYS 5 2.667 26.664 2.035 55 HD3 LYS 5 HD3 LYS 5 3.919 27.321 0.980 56 HE2 LYS 5 HE2 LYS 5 2.940 25.924 -0.905 57 HE3 LYS 5 HE3 LYS 5 1.622 25.468 0.189 58 HZ1 LYS 5 HZ1 LYS 5 1.077 27.844 0.370 59 HZ2 LYS 5 HZ2 LYS 5 2.318 28.247 -0.619 60 HZ3 LYS 5 HZ3 LYS 5 1.041 27.400 -1.206 61 H VAL 6 H VAL 6 8.268 25.384 0.570 62 HA VAL 6 HA VAL 6 8.582 25.556 3.548 63 HB VAL 6 HB VAL 6 10.698 25.667 1.404 64 HG11 VAL 6 HG11 VAL 6 10.937 26.560 4.307 65 HG12 VAL 6 HG12 VAL 6 12.313 26.198 3.249 66 HG13 VAL 6 HG13 VAL 6 11.236 27.543 2.845 67 HG21 VAL 6 HG21 VAL 6 10.587 24.117 4.015 68 HG22 VAL 6 HG22 VAL 6 10.036 23.442 2.470 69 HG23 VAL 6 HG23 VAL 6 11.732 23.910 2.682 70 H VAL 7 H VAL 7 8.500 27.559 4.443 71 HA VAL 7 HA VAL 7 8.599 29.941 2.663 72 HB VAL 7 HB VAL 7 6.270 29.499 3.158 73 HG11 VAL 7 HG11 VAL 7 6.952 29.984 6.092 74 HG12 VAL 7 HG12 VAL 7 5.326 29.822 5.393 75 HG13 VAL 7 HG13 VAL 7 6.434 28.443 5.373 76 HG21 VAL 7 HG21 VAL 7 7.244 32.007 4.560 77 HG22 VAL 7 HG22 VAL 7 7.051 31.803 2.801 78 HG23 VAL 7 HG23 VAL 7 5.641 31.715 3.870 79 H LEU 8 H LEU 8 9.693 31.662 3.334 80 HA LEU 8 HA LEU 8 10.814 31.930 6.025 81 HB2 LEU 8 HB2 LEU 8 13.126 31.670 5.396 82 HB3 LEU 8 HB3 LEU 8 12.242 30.221 4.974 83 HG LEU 8 HG LEU 8 12.110 31.467 2.560 84 HD11 LEU 8 HD11 LEU 8 13.491 33.432 3.254 85 HD12 LEU 8 HD12 LEU 8 14.795 32.341 3.759 86 HD13 LEU 8 HD13 LEU 8 14.341 32.449 2.058 87 HD21 LEU 8 HD21 LEU 8 12.963 29.194 3.009 88 HD22 LEU 8 HD22 LEU 8 13.976 30.074 1.861 89 HD23 LEU 8 HD23 LEU 8 14.511 29.885 3.544 90 H THR 9 H THR 9 12.347 33.874 6.093 91 HA THR 9 HA THR 9 11.684 35.935 4.037 92 HB THR 9 HB THR 9 11.717 36.548 6.997 93 HG1 THR 9 HG1 THR 9 9.984 35.263 6.576 94 HG21 THR 9 HG21 THR 9 10.591 38.620 6.281 95 HG22 THR 9 HG22 THR 9 12.173 38.483 5.525 96 HG23 THR 9 HG23 THR 9 10.712 38.115 4.588 97 H LYS 10 H LYS 10 13.354 37.064 3.330 98 HA LYS 10 HA LYS 10 16.076 36.411 4.093 99 HB2 LYS 10 HB2 LYS 10 14.892 38.547 2.260 100 HB3 LYS 10 HB3 LYS 10 16.621 38.214 2.411 101 HG2 LYS 10 HG2 LYS 10 16.306 35.914 1.620 102 HG3 LYS 10 HG3 LYS 10 14.558 36.161 1.533 103 HD2 LYS 10 HD2 LYS 10 15.429 36.338 -0.683 104 HD3 LYS 10 HD3 LYS 10 14.902 37.944 -0.173 105 HE2 LYS 10 HE2 LYS 10 17.258 38.566 0.341 106 HE3 LYS 10 HE3 LYS 10 17.791 36.948 -0.106 107 HZ1 LYS 10 HZ1 LYS 10 16.508 38.884 -1.954 108 HZ2 LYS 10 HZ2 LYS 10 18.097 38.493 -1.938 109 HZ3 LYS 10 HZ3 LYS 10 16.995 37.374 -2.363 110 H ALA 11 H ALA 11 17.711 37.969 4.644 111 HA ALA 11 HA ALA 11 17.174 39.602 6.946 112 HB1 ALA 11 HB1 ALA 11 19.580 39.514 5.063 113 HB2 ALA 11 HB2 ALA 11 19.550 40.269 6.669 114 HB3 ALA 11 HB3 ALA 11 19.349 38.517 6.509 115 H ASP 12 H ASP 12 17.087 40.330 3.502 116 HA ASP 12 HA ASP 12 17.001 43.227 3.784 117 HB2 ASP 12 HB2 ASP 12 17.796 41.877 1.770 118 HB3 ASP 12 HB3 ASP 12 16.116 41.471 1.461 119 H GLY 13 H GLY 13 14.770 40.942 4.736 120 HA2 GLY 13 HA2 GLY 13 12.590 41.192 5.486 121 HA3 GLY 13 HA3 GLY 13 12.464 42.772 4.713 122 H GLY 14 H GLY 14 13.641 40.522 2.474 123 HA2 GLY 14 HA2 GLY 14 11.188 40.533 0.911 124 HA3 GLY 14 HA3 GLY 14 12.716 39.754 0.495 125 H ARG 15 H ARG 15 9.565 39.077 1.044 126 HA ARG 15 HA ARG 15 9.771 36.598 2.568 127 HB2 ARG 15 HB2 ARG 15 7.716 38.150 2.309 128 HB3 ARG 15 HB3 ARG 15 7.516 37.466 0.713 129 HG2 ARG 15 HG2 ARG 15 6.041 36.341 2.224 130 HG3 ARG 15 HG3 ARG 15 7.293 35.178 1.770 131 HD2 ARG 15 HD2 ARG 15 8.422 35.464 3.904 132 HD3 ARG 15 HD3 ARG 15 7.394 36.849 4.320 133 HE ARG 15 HE ARG 15 5.765 34.538 3.852 134 HH11 ARG 15 HH11 ARG 15 7.948 35.797 6.298 135 HH12 ARG 15 HH12 ARG 15 7.036 35.072 7.601 136 HH21 ARG 15 HH21 ARG 15 4.693 33.611 5.558 137 HH22 ARG 15 HH22 ARG 15 5.281 33.812 7.178 138 H VAL 16 H VAL 16 9.938 34.525 1.857 139 HA VAL 16 HA VAL 16 10.269 33.964 -1.067 140 HB VAL 16 HB VAL 16 12.174 33.309 1.194 141 HG11 VAL 16 HG11 VAL 16 12.016 31.257 -0.146 142 HG12 VAL 16 HG12 VAL 16 12.222 32.192 -1.652 143 HG13 VAL 16 HG13 VAL 16 13.546 32.064 -0.469 144 HG21 VAL 16 HG21 VAL 16 13.840 34.392 -0.255 145 HG22 VAL 16 HG22 VAL 16 12.582 34.736 -1.459 146 HG23 VAL 16 HG23 VAL 16 12.532 35.508 0.147 147 H GLU 17 H GLU 17 9.576 32.036 -1.761 148 HA GLU 17 HA GLU 17 8.549 29.993 0.125 149 HB2 GLU 17 HB2 GLU 17 6.680 31.482 -0.315 150 HB3 GLU 17 HB3 GLU 17 6.972 31.395 -2.065 151 HG2 GLU 17 HG2 GLU 17 6.387 29.021 -2.062 152 HG3 GLU 17 HG3 GLU 17 6.176 29.046 -0.308 153 H ILE 18 H ILE 18 8.833 27.946 -0.576 154 HA ILE 18 HA ILE 18 9.877 27.442 -3.353 155 HB ILE 18 HB ILE 18 10.831 26.155 -0.780 156 HG12 ILE 18 HG12 ILE 18 12.449 28.024 -2.558 157 HG13 ILE 18 HG13 ILE 18 11.615 28.563 -1.097 158 HG21 ILE 18 HG21 ILE 18 11.857 25.861 -3.636 159 HG22 ILE 18 HG22 ILE 18 12.532 25.056 -2.205 160 HG23 ILE 18 HG23 ILE 18 10.923 24.633 -2.757 161 HD11 ILE 18 HD11 ILE 18 12.909 26.946 0.257 162 HD12 ILE 18 HD12 ILE 18 13.880 26.553 -1.190 163 HD13 ILE 18 HD13 ILE 18 13.879 28.197 -0.530 164 H GLY 19 H GLY 19 8.707 25.958 -4.417 165 HA2 GLY 19 HA2 GLY 19 6.692 24.293 -2.983 166 HA3 GLY 19 HA3 GLY 19 6.740 24.639 -4.702 167 H ASP 20 H ASP 20 6.270 22.129 -3.923 168 HA ASP 20 HA ASP 20 6.833 19.961 -4.158 169 HB2 ASP 20 HB2 ASP 20 8.839 20.849 -6.234 170 HB3 ASP 20 HB3 ASP 20 7.941 19.331 -6.158 171 H VAL 21 H VAL 21 8.171 21.047 -1.947 172 HA VAL 21 HA VAL 21 10.965 20.276 -1.919 173 HB VAL 21 HB VAL 21 9.115 21.020 0.364 174 HG11 VAL 21 HG11 VAL 21 12.142 20.656 0.303 175 HG12 VAL 21 HG12 VAL 21 11.227 21.423 1.609 176 HG13 VAL 21 HG13 VAL 21 10.972 19.717 1.264 177 HG21 VAL 21 HG21 VAL 21 11.238 22.582 -1.192 178 HG22 VAL 21 HG22 VAL 21 9.474 22.867 -1.246 179 HG23 VAL 21 HG23 VAL 21 10.378 23.185 0.230 180 H LEU 22 H LEU 22 11.839 18.403 -1.529 181 HA LEU 22 HA LEU 22 10.215 16.022 -0.890 182 HB2 LEU 22 HB2 LEU 22 11.783 16.328 -2.873 183 HB3 LEU 22 HB3 LEU 22 13.134 16.317 -1.756 184 HG LEU 22 HG LEU 22 12.828 14.241 -2.979 185 HD11 LEU 22 HD11 LEU 22 12.202 13.628 -0.078 186 HD12 LEU 22 HD12 LEU 22 13.069 12.639 -1.249 187 HD13 LEU 22 HD13 LEU 22 13.799 14.141 -0.672 188 HD21 LEU 22 HD21 LEU 22 10.202 13.827 -1.512 189 HD22 LEU 22 HD22 LEU 22 10.363 14.368 -3.202 190 HD23 LEU 22 HD23 LEU 22 10.961 12.773 -2.728 191 H GLU 23 H GLU 23 13.056 17.844 0.319 192 HA GLU 23 HA GLU 23 12.594 16.915 3.039 193 HB2 GLU 23 HB2 GLU 23 14.791 15.972 3.386 194 HB3 GLU 23 HB3 GLU 23 13.928 15.039 2.174 195 HG2 GLU 23 HG2 GLU 23 15.215 16.102 0.368 196 HG3 GLU 23 HG3 GLU 23 16.030 17.161 1.537 197 H VAL 24 H VAL 24 13.844 17.957 4.633 198 HA VAL 24 HA VAL 24 15.258 20.471 3.874 199 HB VAL 24 HB VAL 24 13.047 20.315 5.956 200 HG11 VAL 24 HG11 VAL 24 14.800 21.933 6.612 201 HG12 VAL 24 HG12 VAL 24 14.701 22.688 5.010 202 HG13 VAL 24 HG13 VAL 24 13.324 22.760 6.130 203 HG21 VAL 24 HG21 VAL 24 11.869 21.943 4.472 204 HG22 VAL 24 HG22 VAL 24 13.119 21.695 3.241 205 HG23 VAL 24 HG23 VAL 24 12.048 20.359 3.728 206 H ARG 25 H ARG 25 16.975 20.946 5.214 207 HA ARG 25 HA ARG 25 17.450 19.264 7.660 208 HB2 ARG 25 HB2 ARG 25 19.495 19.805 5.460 209 HB3 ARG 25 HB3 ARG 25 19.772 18.922 6.961 210 HG2 ARG 25 HG2 ARG 25 18.096 17.206 6.219 211 HG3 ARG 25 HG3 ARG 25 17.966 18.063 4.665 212 HD2 ARG 25 HD2 ARG 25 20.431 17.777 4.351 213 HD3 ARG 25 HD3 ARG 25 20.477 16.824 5.844 214 HE ARG 25 HE ARG 25 18.530 15.835 3.877 215 HH11 ARG 25 HH11 ARG 25 21.960 15.575 4.698 216 HH12 ARG 25 HH12 ARG 25 22.096 14.073 3.823 217 HH21 ARG 25 HH21 ARG 25 18.786 14.085 2.830 218 HH22 ARG 25 HH22 ARG 25 20.325 13.210 2.780 219 H ALA 26 H ALA 26 17.927 20.474 9.356 220 HA ALA 26 HA ALA 26 19.059 23.211 9.056 221 HB1 ALA 26 HB1 ALA 26 17.127 22.938 10.542 222 HB2 ALA 26 HB2 ALA 26 17.997 21.723 11.483 223 HB3 ALA 26 HB3 ALA 26 18.594 23.399 11.457 224 H GLU 27 H GLU 27 21.180 23.239 8.800 225 HA GLU 27 HA GLU 27 23.049 21.360 10.148 226 HB2 GLU 27 HB2 GLU 27 23.564 23.760 8.344 227 HB3 GLU 27 HB3 GLU 27 24.760 22.612 8.955 228 HG2 GLU 27 HG2 GLU 27 23.461 20.771 7.756 229 HG3 GLU 27 HG3 GLU 27 22.539 22.054 6.957 230 H GLY 28 H GLY 28 24.994 22.550 11.196 231 HA2 GLY 28 HA2 GLY 28 24.124 24.048 13.498 232 HA3 GLY 28 HA3 GLY 28 25.780 23.632 13.064 233 H GLY 29 H GLY 29 23.375 25.666 11.352 234 HA2 GLY 29 HA2 GLY 29 24.003 28.196 11.941 235 HA3 GLY 29 HA3 GLY 29 25.373 27.811 10.906 236 H ALA 30 H ALA 30 22.803 26.092 9.615 237 HA ALA 30 HA ALA 30 21.552 28.210 8.037 238 HB1 ALA 30 HB1 ALA 30 23.770 27.936 6.904 239 HB2 ALA 30 HB2 ALA 30 23.452 26.205 6.713 240 HB3 ALA 30 HB3 ALA 30 22.435 27.398 5.876 241 H VAL 31 H VAL 31 19.831 27.442 6.701 242 HA VAL 31 HA VAL 31 19.039 24.565 7.094 243 HB VAL 31 HB VAL 31 17.235 26.915 6.459 244 HG11 VAL 31 HG11 VAL 31 15.405 25.175 6.659 245 HG12 VAL 31 HG12 VAL 31 16.398 24.986 5.212 246 HG13 VAL 31 HG13 VAL 31 16.652 23.929 6.623 247 HG21 VAL 31 HG21 VAL 31 16.182 26.371 8.603 248 HG22 VAL 31 HG22 VAL 31 17.292 24.996 8.838 249 HG23 VAL 31 HG23 VAL 31 17.904 26.657 8.855 250 H ARG 32 H ARG 32 18.873 23.272 5.428 251 HA ARG 32 HA ARG 32 19.209 24.296 2.621 252 HB2 ARG 32 HB2 ARG 32 20.090 21.672 3.883 253 HB3 ARG 32 HB3 ARG 32 20.133 22.011 2.147 254 HG2 ARG 32 HG2 ARG 32 21.763 23.782 2.431 255 HG3 ARG 32 HG3 ARG 32 21.595 23.734 4.192 256 HD2 ARG 32 HD2 ARG 32 23.631 22.645 3.628 257 HD3 ARG 32 HD3 ARG 32 22.486 21.440 4.242 258 HE ARG 32 HE ARG 32 22.307 21.489 1.385 259 HH11 ARG 32 HH11 ARG 32 24.632 20.449 3.846 260 HH12 ARG 32 HH12 ARG 32 25.350 19.296 2.729 261 HH21 ARG 32 HH21 ARG 32 23.209 20.091 0.140 262 HH22 ARG 32 HH22 ARG 32 24.570 19.080 0.638 263 H VAL 33 H VAL 33 17.884 23.563 1.083 264 HA VAL 33 HA VAL 33 15.501 21.889 1.800 265 HB VAL 33 HB VAL 33 15.528 24.526 0.271 266 HG11 VAL 33 HG11 VAL 33 13.810 23.014 -0.630 267 HG12 VAL 33 HG12 VAL 33 13.201 22.718 1.006 268 HG13 VAL 33 HG13 VAL 33 13.059 24.326 0.276 269 HG21 VAL 33 HG21 VAL 33 15.741 24.958 2.673 270 HG22 VAL 33 HG22 VAL 33 14.143 25.416 2.098 271 HG23 VAL 33 HG23 VAL 33 14.354 23.894 3.011 272 H THR 34 H THR 34 15.162 20.276 0.343 273 HA THR 34 HA THR 34 16.408 20.498 -2.385 274 HB THR 34 HB THR 34 16.199 18.044 -0.636 275 HG1 THR 34 HG1 THR 34 17.875 19.414 -0.076 276 HG21 THR 34 HG21 THR 34 17.557 16.943 -2.419 277 HG22 THR 34 HG22 THR 34 15.927 17.335 -2.962 278 HG23 THR 34 HG23 THR 34 17.294 18.357 -3.465 279 H THR 35 H THR 35 15.142 20.098 -4.113 280 HA THR 35 HA THR 35 12.258 19.677 -3.614 281 HB THR 35 HB THR 35 11.840 20.424 -5.785 282 HG1 THR 35 HG1 THR 35 13.449 20.802 -7.301 283 HG21 THR 35 HG21 THR 35 12.534 22.223 -4.212 284 HG22 THR 35 HG22 THR 35 14.192 22.138 -4.878 285 HG23 THR 35 HG23 THR 35 12.825 22.606 -5.915 286 H LEU 36 H LEU 36 10.976 18.362 -4.978 287 HA LEU 36 HA LEU 36 11.567 15.622 -5.234 288 HB2 LEU 36 HB2 LEU 36 9.343 16.644 -5.055 289 HB3 LEU 36 HB3 LEU 36 9.576 17.490 -6.579 290 HG LEU 36 HG LEU 36 9.506 15.361 -7.819 291 HD11 LEU 36 HD11 LEU 36 8.889 14.144 -5.098 292 HD12 LEU 36 HD12 LEU 36 8.748 13.314 -6.675 293 HD13 LEU 36 HD13 LEU 36 10.342 13.809 -6.082 294 HD21 LEU 36 HD21 LEU 36 7.434 16.667 -7.373 295 HD22 LEU 36 HD22 LEU 36 7.114 14.925 -7.479 296 HD23 LEU 36 HD23 LEU 36 7.176 15.721 -5.890 297 H PHE 37 H PHE 37 12.367 18.245 -7.375 298 HA PHE 37 HA PHE 37 13.095 16.407 -9.605 299 HB2 PHE 37 HB2 PHE 37 12.517 19.377 -9.684 300 HB3 PHE 37 HB3 PHE 37 12.814 18.330 -11.066 301 HD1 PHE 37 HD1 PHE 37 10.276 19.645 -8.851 302 HD2 PHE 37 HD2 PHE 37 11.212 16.295 -11.400 303 HE1 PHE 37 HE1 PHE 37 7.883 18.998 -8.884 304 HE2 PHE 37 HE2 PHE 37 8.823 15.635 -11.408 305 HZ PHE 37 HZ PHE 37 7.150 16.980 -10.141 306 H ASP 38 H ASP 38 14.698 17.081 -7.142 307 HA ASP 38 HA ASP 38 16.832 17.182 -6.564 308 HB2 ASP 38 HB2 ASP 38 16.889 15.409 -8.355 309 HB3 ASP 38 HB3 ASP 38 17.545 16.621 -9.455 310 H GLU 39 H GLU 39 15.646 19.738 -7.264 311 HA GLU 39 HA GLU 39 18.116 21.362 -7.733 312 HB2 GLU 39 HB2 GLU 39 15.235 22.252 -7.348 313 HB3 GLU 39 HB3 GLU 39 16.648 23.301 -7.540 314 HG2 GLU 39 HG2 GLU 39 17.082 22.174 -9.770 315 HG3 GLU 39 HG3 GLU 39 15.546 21.322 -9.594 316 H GLU 40 H GLU 40 18.716 22.912 -6.060 317 HA GLU 40 HA GLU 40 17.814 22.271 -3.312 318 HB2 GLU 40 HB2 GLU 40 19.724 20.813 -3.758 319 HB3 GLU 40 HB3 GLU 40 20.710 22.205 -4.205 320 HG2 GLU 40 HG2 GLU 40 20.579 23.085 -1.923 321 HG3 GLU 40 HG3 GLU 40 19.450 21.813 -1.458 322 H HIS 41 H HIS 41 17.925 23.876 -1.868 323 HA HIS 41 HA HIS 41 19.070 26.531 -2.590 324 HB2 HIS 41 HB2 HIS 41 16.438 26.109 -1.141 325 HB3 HIS 41 HB3 HIS 41 17.134 27.631 -1.677 326 HD2 HIS 41 HD2 HIS 41 15.099 24.642 -2.877 327 HE1 HIS 41 HE1 HIS 41 15.320 27.312 -6.199 328 HE2 HIS 41 HE2 HIS 41 14.215 25.197 -5.302 329 H ALA 42 H ALA 42 19.874 27.724 -0.787 330 HA ALA 42 HA ALA 42 19.875 26.422 1.867 331 HB1 ALA 42 HB1 ALA 42 21.830 25.493 0.669 332 HB2 ALA 42 HB2 ALA 42 22.430 27.137 0.367 333 HB3 ALA 42 HB3 ALA 42 22.320 26.520 2.033 334 H PHE 43 H PHE 43 20.043 27.744 3.579 335 HA PHE 43 HA PHE 43 20.188 30.698 3.140 336 HB2 PHE 43 HB2 PHE 43 18.024 29.175 4.585 337 HB3 PHE 43 HB3 PHE 43 18.147 30.925 4.435 338 HD1 PHE 43 HD1 PHE 43 17.831 32.015 2.179 339 HD2 PHE 43 HD2 PHE 43 17.152 27.802 2.811 340 HE1 PHE 43 HE1 PHE 43 16.622 31.876 0.007 341 HE2 PHE 43 HE2 PHE 43 15.971 27.662 0.647 342 HZ PHE 43 HZ PHE 43 15.706 29.701 -0.772 343 HA PRO 44 HA PRO 44 22.625 29.908 6.961 344 HB2 PRO 44 HB2 PRO 44 24.073 32.210 6.997 345 HB3 PRO 44 HB3 PRO 44 24.456 30.842 5.921 346 HG2 PRO 44 HG2 PRO 44 22.865 33.338 5.235 347 HG3 PRO 44 HG3 PRO 44 24.224 32.600 4.320 348 HD2 PRO 44 HD2 PRO 44 21.606 32.160 3.717 349 HD3 PRO 44 HD3 PRO 44 22.837 30.870 3.519 350 H GLY 45 H GLY 45 22.326 30.564 9.062 351 HA2 GLY 45 HA2 GLY 45 21.592 31.811 10.876 352 HA3 GLY 45 HA3 GLY 45 21.186 33.139 9.798 353 H LEU 46 H LEU 46 19.699 30.105 9.020 354 HA LEU 46 HA LEU 46 17.162 30.862 10.424 355 HB2 LEU 46 HB2 LEU 46 17.510 29.171 7.924 356 HB3 LEU 46 HB3 LEU 46 15.988 29.495 8.748 357 HG LEU 46 HG LEU 46 17.727 31.508 7.257 358 HD11 LEU 46 HD11 LEU 46 14.865 30.553 6.791 359 HD12 LEU 46 HD12 LEU 46 15.831 31.607 5.743 360 HD13 LEU 46 HD13 LEU 46 16.272 29.903 5.944 361 HD21 LEU 46 HD21 LEU 46 15.125 31.950 8.794 362 HD22 LEU 46 HD22 LEU 46 16.701 32.686 9.163 363 HD23 LEU 46 HD23 LEU 46 15.852 33.109 7.661 364 H ALA 47 H ALA 47 15.841 29.173 11.175 365 HA ALA 47 HA ALA 47 16.926 26.438 11.461 366 HB1 ALA 47 HB1 ALA 47 17.518 27.556 13.568 367 HB2 ALA 47 HB2 ALA 47 15.838 28.090 13.782 368 HB3 ALA 47 HB3 ALA 47 16.227 26.361 13.841 369 H ILE 48 H ILE 48 15.130 24.875 11.960 370 HA ILE 48 HA ILE 48 12.699 25.555 10.457 371 HB ILE 48 HB ILE 48 13.517 23.008 11.862 372 HG12 ILE 48 HG12 ILE 48 13.474 23.499 8.855 373 HG13 ILE 48 HG13 ILE 48 14.913 23.778 9.818 374 HG21 ILE 48 HG21 ILE 48 11.078 23.100 11.670 375 HG22 ILE 48 HG22 ILE 48 11.193 23.564 9.956 376 HG23 ILE 48 HG23 ILE 48 11.683 21.954 10.490 377 HD11 ILE 48 HD11 ILE 48 15.122 21.595 8.886 378 HD12 ILE 48 HD12 ILE 48 14.819 21.392 10.617 379 HD13 ILE 48 HD13 ILE 48 13.506 21.113 9.448 380 H GLY 49 H GLY 49 10.915 26.393 11.311 381 HA2 GLY 49 HA2 GLY 49 10.590 26.650 14.250 382 HA3 GLY 49 HA3 GLY 49 9.787 27.579 12.994 383 H ARG 50 H ARG 50 8.650 25.628 11.400 384 HA ARG 50 HA ARG 50 7.058 23.806 13.119 385 HB2 ARG 50 HB2 ARG 50 5.857 25.961 11.343 386 HB3 ARG 50 HB3 ARG 50 4.993 24.497 11.808 387 HG2 ARG 50 HG2 ARG 50 5.399 25.127 14.251 388 HG3 ARG 50 HG3 ARG 50 6.000 26.682 13.668 389 HD2 ARG 50 HD2 ARG 50 3.669 26.886 14.309 390 HD3 ARG 50 HD3 ARG 50 3.817 27.093 12.561 391 HE ARG 50 HE ARG 50 3.140 24.623 12.393 392 HH11 ARG 50 HH11 ARG 50 1.759 26.634 14.914 393 HH12 ARG 50 HH12 ARG 50 0.448 25.513 15.151 394 HH21 ARG 50 HH21 ARG 50 1.671 23.271 12.828 395 HH22 ARG 50 HH22 ARG 50 0.539 23.445 14.158 396 H VAL 51 H VAL 51 6.123 22.107 12.152 397 HA VAL 51 HA VAL 51 6.467 21.637 9.230 398 HB VAL 51 HB VAL 51 7.204 19.600 11.383 399 HG11 VAL 51 HG11 VAL 51 6.263 18.502 9.429 400 HG12 VAL 51 HG12 VAL 51 7.277 19.457 8.342 401 HG13 VAL 51 HG13 VAL 51 8.012 18.264 9.432 402 HG21 VAL 51 HG21 VAL 51 9.041 21.056 9.444 403 HG22 VAL 51 HG22 VAL 51 8.974 21.302 11.209 404 HG23 VAL 51 HG23 VAL 51 9.483 19.754 10.584 405 H ASP 52 H ASP 52 4.406 21.607 8.629 406 HA ASP 52 HA ASP 52 2.326 20.343 10.374 407 HB2 ASP 52 HB2 ASP 52 2.038 22.541 8.300 408 HB3 ASP 52 HB3 ASP 52 0.784 21.912 9.365 409 H LEU 53 H LEU 53 2.526 18.234 9.549 410 HA LEU 53 HA LEU 53 2.674 17.560 6.767 411 HB2 LEU 53 HB2 LEU 53 1.659 15.861 9.090 412 HB3 LEU 53 HB3 LEU 53 2.141 15.280 7.514 413 HG LEU 53 HG LEU 53 3.850 14.698 8.909 414 HD11 LEU 53 HD11 LEU 53 5.832 15.872 8.120 415 HD12 LEU 53 HD12 LEU 53 4.646 15.747 6.813 416 HD13 LEU 53 HD13 LEU 53 4.866 17.289 7.676 417 HD21 LEU 53 HD21 LEU 53 3.278 16.133 10.848 418 HD22 LEU 53 HD22 LEU 53 5.007 15.981 10.541 419 HD23 LEU 53 HD23 LEU 53 4.186 17.467 10.082 420 H ARG 54 H ARG 54 -0.047 18.027 8.966 421 HA ARG 54 HA ARG 54 -2.204 17.039 7.436 422 HB2 ARG 54 HB2 ARG 54 -2.124 17.995 9.843 423 HB3 ARG 54 HB3 ARG 54 -2.278 19.588 9.113 424 HG2 ARG 54 HG2 ARG 54 -4.429 18.723 7.997 425 HG3 ARG 54 HG3 ARG 54 -4.254 17.258 8.973 426 HD2 ARG 54 HD2 ARG 54 -4.615 20.105 10.006 427 HD3 ARG 54 HD3 ARG 54 -5.832 18.839 9.986 428 HE ARG 54 HE ARG 54 -4.706 17.664 11.737 429 HH11 ARG 54 HH11 ARG 54 -3.154 20.807 11.180 430 HH12 ARG 54 HH12 ARG 54 -2.476 20.757 12.815 431 HH21 ARG 54 HH21 ARG 54 -3.730 17.826 13.775 432 HH22 ARG 54 HH22 ARG 54 -2.749 19.252 14.099 433 H SER 55 H SER 55 -0.494 20.098 7.114 434 HA SER 55 HA SER 55 -2.250 20.997 4.876 435 HB2 SER 55 HB2 SER 55 -0.188 22.549 6.485 436 HB3 SER 55 HB3 SER 55 -1.299 23.206 5.274 437 HG SER 55 HG SER 55 -2.087 23.503 7.407 438 H GLY 56 H GLY 56 0.958 19.742 5.418 439 HA2 GLY 56 HA2 GLY 56 2.669 19.271 3.945 440 HA3 GLY 56 HA3 GLY 56 1.744 19.960 2.600 441 H VAL 57 H VAL 57 2.706 21.533 5.690 442 HA VAL 57 HA VAL 57 4.229 23.585 4.104 443 HB VAL 57 HB VAL 57 2.347 24.129 6.419 444 HG11 VAL 57 HG11 VAL 57 2.718 26.521 5.853 445 HG12 VAL 57 HG12 VAL 57 4.199 25.746 6.425 446 HG13 VAL 57 HG13 VAL 57 3.960 26.049 4.682 447 HG21 VAL 57 HG21 VAL 57 0.987 25.355 4.747 448 HG22 VAL 57 HG22 VAL 57 2.078 24.789 3.454 449 HG23 VAL 57 HG23 VAL 57 1.089 23.637 4.369 450 H ILE 58 H ILE 58 6.180 24.097 4.765 451 HA ILE 58 HA ILE 58 7.017 23.553 7.583 452 HB ILE 58 HB ILE 58 8.620 23.377 5.015 453 HG12 ILE 58 HG12 ILE 58 8.166 21.227 7.125 454 HG13 ILE 58 HG13 ILE 58 7.141 21.398 5.690 455 HG21 ILE 58 HG21 ILE 58 9.574 23.164 7.913 456 HG22 ILE 58 HG22 ILE 58 10.559 22.771 6.492 457 HG23 ILE 58 HG23 ILE 58 10.027 24.422 6.738 458 HD11 ILE 58 HD11 ILE 58 8.725 19.692 5.262 459 HD12 ILE 58 HD12 ILE 58 9.124 21.088 4.237 460 HD13 ILE 58 HD13 ILE 58 10.097 20.720 5.681 461 H SER 59 H SER 59 7.790 25.263 8.699 462 HA SER 59 HA SER 59 8.135 27.881 7.245 463 HB2 SER 59 HB2 SER 59 5.989 27.795 8.450 464 HB3 SER 59 HB3 SER 59 6.859 27.415 9.953 465 HG SER 59 HG SER 59 6.380 29.669 9.704 466 H LEU 60 H LEU 60 9.997 28.850 7.533 467 HA LEU 60 HA LEU 60 11.870 27.901 9.639 468 HB2 LEU 60 HB2 LEU 60 12.512 29.568 7.200 469 HB3 LEU 60 HB3 LEU 60 13.638 28.789 8.304 470 HG LEU 60 HG LEU 60 11.776 27.396 6.327 471 HD11 LEU 60 HD11 LEU 60 13.890 26.703 5.267 472 HD12 LEU 60 HD12 LEU 60 13.781 28.458 5.348 473 HD13 LEU 60 HD13 LEU 60 14.818 27.586 6.487 474 HD21 LEU 60 HD21 LEU 60 12.930 25.306 6.991 475 HD22 LEU 60 HD22 LEU 60 13.714 26.178 8.331 476 HD23 LEU 60 HD23 LEU 60 11.941 25.969 8.287 477 H ILE 61 H ILE 61 13.060 29.307 10.869 478 HA ILE 61 HA ILE 61 12.076 32.107 11.222 479 HB ILE 61 HB ILE 61 11.987 31.842 13.613 480 HG12 ILE 61 HG12 ILE 61 11.862 29.129 14.228 481 HG13 ILE 61 HG13 ILE 61 13.217 29.190 13.095 482 HG21 ILE 61 HG21 ILE 61 9.950 31.460 12.291 483 HG22 ILE 61 HG22 ILE 61 10.288 29.717 12.269 484 HG23 ILE 61 HG23 ILE 61 9.957 30.542 13.801 485 HD11 ILE 61 HD11 ILE 61 14.334 30.873 14.486 486 HD12 ILE 61 HD12 ILE 61 12.961 30.869 15.615 487 HD13 ILE 61 HD13 ILE 61 13.959 29.411 15.422 488 H GLU 62 H GLU 62 13.542 33.471 12.461 489 HA GLU 62 HA GLU 62 16.273 33.177 11.507 490 HB2 GLU 62 HB2 GLU 62 14.953 35.223 13.320 491 HB3 GLU 62 HB3 GLU 62 16.631 35.309 12.776 492 HG2 GLU 62 HG2 GLU 62 15.862 35.292 10.400 493 HG3 GLU 62 HG3 GLU 62 14.187 35.322 10.949 494 H GLU 63 H GLU 63 17.882 32.152 12.435 495 HA GLU 63 HA GLU 63 17.712 30.811 14.965 496 HB2 GLU 63 HB2 GLU 63 19.016 30.070 12.957 497 HB3 GLU 63 HB3 GLU 63 20.116 31.431 13.208 498 HG2 GLU 63 HG2 GLU 63 20.667 30.488 15.488 499 HG3 GLU 63 HG3 GLU 63 19.613 29.117 15.127 500 H GLN 64 H GLN 64 18.214 31.467 16.978 501 HA GLN 64 HA GLN 64 19.439 34.131 17.409 502 HB2 GLN 64 HB2 GLN 64 17.939 32.327 19.329 503 HB3 GLN 64 HB3 GLN 64 18.437 33.997 19.629 504 HG2 GLN 64 HG2 GLN 64 16.362 33.074 17.596 505 HG3 GLN 64 HG3 GLN 64 16.060 33.913 19.105 506 HE21 GLN 64 HE21 GLN 64 16.150 34.445 15.843 507 HE22 GLN 64 HE22 GLN 64 16.564 36.162 15.887 508 H ASN 65 H ASN 65 20.740 31.224 17.058 509 HA ASN 65 HA ASN 65 22.464 31.103 19.451 510 HB2 ASN 65 HB2 ASN 65 21.111 29.152 18.454 511 HB3 ASN 65 HB3 ASN 65 22.256 29.181 17.112 512 HD21 ASN 65 HD21 ASN 65 22.897 27.014 17.618 513 HD22 ASN 65 HD22 ASN 65 23.927 26.693 19.015 514 H ARG 66 H ARG 66 22.757 33.010 17.017 515 HA ARG 66 HA ARG 66 25.137 32.376 15.552 516 HB2 ARG 66 HB2 ARG 66 24.009 35.149 16.114 517 HB3 ARG 66 HB3 ARG 66 25.073 34.690 14.791 518 HG2 ARG 66 HG2 ARG 66 22.158 33.889 15.200 519 HG3 ARG 66 HG3 ARG 66 22.800 34.967 13.967 520 HD2 ARG 66 HD2 ARG 66 23.373 31.979 14.169 521 HD3 ARG 66 HD3 ARG 66 22.192 32.736 13.093 522 HE ARG 66 HE ARG 66 24.650 33.987 12.552 523 HH11 ARG 66 HH11 ARG 66 23.345 30.727 12.228 524 HH12 ARG 66 HH12 ARG 66 24.243 30.440 10.765 525 HH21 ARG 66 HH21 ARG 66 25.857 33.481 10.747 526 HH22 ARG 66 HH22 ARG 66 25.737 31.891 10.055 527 H1 GLY -3 H1 GLY -3 -12.363 6.747 1.204 528 H2 GLY -3 H2 GLY -3 -13.536 6.716 2.341 529 H3 GLY -3 H3 GLY -3 -12.807 5.320 1.865 530 HA2 GLY -3 HA2 GLY -3 -11.982 5.987 4.035 531 HA3 GLY -3 HA3 GLY -3 -10.708 6.005 2.805 532 HA PRO -2 HA PRO -2 -10.699 9.998 5.143 533 HB2 PRO -2 HB2 PRO -2 -7.732 9.625 4.722 534 HB3 PRO -2 HB3 PRO -2 -8.606 10.197 6.179 535 HG2 PRO -2 HG2 PRO -2 -7.670 7.661 6.081 536 HG3 PRO -2 HG3 PRO -2 -9.325 7.975 6.701 537 HD2 PRO -2 HD2 PRO -2 -8.509 7.078 3.920 538 HD3 PRO -2 HD3 PRO -2 -9.768 6.402 4.997 539 H GLY -1 H GLY -1 -9.335 9.187 2.027 540 HA2 GLY -1 HA2 GLY -1 -9.162 10.475 0.077 541 HA3 GLY -1 HA3 GLY -1 -9.621 11.918 0.973 542 H SER 0 H SER 0 -7.865 12.840 -0.379 543 HA SER 0 HA SER 0 -5.117 12.077 -0.024 544 HB2 SER 0 HB2 SER 0 -5.933 13.231 -2.032 545 HB3 SER 0 HB3 SER 0 -6.279 14.679 -1.062 546 HG SER 0 HG SER 0 -4.240 14.801 -2.102 547 H MET 1 H MET 1 -3.806 12.444 1.578 548 HA MET 1 HA MET 1 -3.590 14.928 3.060 549 HB2 MET 1 HB2 MET 1 -3.956 14.026 5.280 550 HB3 MET 1 HB3 MET 1 -5.441 13.876 4.338 551 HG2 MET 1 HG2 MET 1 -5.024 11.500 3.969 552 HG3 MET 1 HG3 MET 1 -3.466 11.595 4.786 553 HE1 MET 1 HE1 MET 1 -3.046 11.639 7.306 554 HE2 MET 1 HE2 MET 1 -3.849 13.222 7.420 555 HE3 MET 1 HE3 MET 1 -4.299 11.910 8.535 556 H CYS 2 H CYS 2 -1.736 14.749 4.682 557 HA CYS 2 HA CYS 2 0.060 12.428 4.234 558 HB2 CYS 2 HB2 CYS 2 1.038 15.294 4.335 559 HB3 CYS 2 HB3 CYS 2 2.022 13.843 4.266 560 H MET 3 H MET 3 1.436 11.929 5.912 561 HA MET 3 HA MET 3 1.285 13.156 8.553 562 HB2 MET 3 HB2 MET 3 0.318 11.230 9.683 563 HB3 MET 3 HB3 MET 3 -0.814 11.855 8.483 564 HG2 MET 3 HG2 MET 3 0.035 10.045 6.907 565 HG3 MET 3 HG3 MET 3 0.869 9.340 8.290 566 HE1 MET 3 HE1 MET 3 -0.269 8.228 10.327 567 HE2 MET 3 HE2 MET 3 -1.200 9.699 10.728 568 HE3 MET 3 HE3 MET 3 -2.016 8.133 10.597 569 H ALA 4 H ALA 4 2.768 12.022 10.074 570 HA ALA 4 HA ALA 4 4.939 10.470 8.744 571 HB1 ALA 4 HB1 ALA 4 5.263 13.216 10.033 572 HB2 ALA 4 HB2 ALA 4 6.577 12.223 9.384 573 HB3 ALA 4 HB3 ALA 4 5.357 12.861 8.285 574 H LYS 5 H LYS 5 6.850 10.277 10.409 575 HA LYS 5 HA LYS 5 5.855 10.020 13.210 576 HB2 LYS 5 HB2 LYS 5 7.188 8.073 13.600 577 HB3 LYS 5 HB3 LYS 5 6.086 7.788 12.261 578 HG2 LYS 5 HG2 LYS 5 8.010 8.190 10.673 579 HG3 LYS 5 HG3 LYS 5 9.075 8.343 12.085 580 HD2 LYS 5 HD2 LYS 5 8.384 6.016 12.770 581 HD3 LYS 5 HD3 LYS 5 7.406 5.918 11.301 582 HE2 LYS 5 HE2 LYS 5 9.424 4.773 10.837 583 HE3 LYS 5 HE3 LYS 5 9.483 6.284 9.937 584 HZ1 LYS 5 HZ1 LYS 5 10.795 5.847 12.583 585 HZ2 LYS 5 HZ2 LYS 5 11.577 5.741 11.147 586 HZ3 LYS 5 HZ3 LYS 5 10.961 7.173 11.640 587 H VAL 6 H VAL 6 7.131 10.674 14.837 588 HA VAL 6 HA VAL 6 9.517 12.348 14.139 589 HB VAL 6 HB VAL 6 7.643 12.384 16.514 590 HG11 VAL 6 HG11 VAL 6 9.063 14.254 17.393 591 HG12 VAL 6 HG12 VAL 6 9.863 12.699 17.483 592 HG13 VAL 6 HG13 VAL 6 10.300 13.834 16.196 593 HG21 VAL 6 HG21 VAL 6 7.052 13.658 14.394 594 HG22 VAL 6 HG22 VAL 6 7.238 14.666 15.833 595 HG23 VAL 6 HG23 VAL 6 8.539 14.601 14.638 596 H VAL 7 H VAL 7 11.509 11.840 14.894 597 HA VAL 7 HA VAL 7 11.772 9.819 17.062 598 HB VAL 7 HB VAL 7 12.326 8.709 14.966 599 HG11 VAL 7 HG11 VAL 7 13.201 10.599 13.641 600 HG12 VAL 7 HG12 VAL 7 14.632 10.693 14.692 601 HG13 VAL 7 HG13 VAL 7 14.346 9.253 13.703 602 HG21 VAL 7 HG21 VAL 7 13.445 8.068 17.088 603 HG22 VAL 7 HG22 VAL 7 14.454 7.754 15.653 604 HG23 VAL 7 HG23 VAL 7 14.803 9.150 16.689 605 H LEU 8 H LEU 8 13.246 10.228 18.625 606 HA LEU 8 HA LEU 8 15.006 12.585 18.505 607 HB2 LEU 8 HB2 LEU 8 13.976 13.757 20.321 608 HB3 LEU 8 HB3 LEU 8 12.781 13.437 19.091 609 HG LEU 8 HG LEU 8 12.186 11.330 20.632 610 HD11 LEU 8 HD11 LEU 8 12.280 12.025 23.053 611 HD12 LEU 8 HD12 LEU 8 13.877 11.672 22.388 612 HD13 LEU 8 HD13 LEU 8 13.356 13.357 22.596 613 HD21 LEU 8 HD21 LEU 8 10.455 12.676 21.700 614 HD22 LEU 8 HD22 LEU 8 11.332 14.167 21.282 615 HD23 LEU 8 HD23 LEU 8 10.644 13.143 20.006 616 H THR 9 H THR 9 16.207 12.852 20.630 617 HA THR 9 HA THR 9 16.711 10.226 21.970 618 HB THR 9 HB THR 9 18.911 12.151 21.129 619 HG1 THR 9 HG1 THR 9 18.040 11.176 19.321 620 HG21 THR 9 HG21 THR 9 18.970 9.287 22.211 621 HG22 THR 9 HG22 THR 9 20.371 10.204 21.621 622 HG23 THR 9 HG23 THR 9 19.511 10.754 23.067 623 H LYS 10 H LYS 10 16.711 10.296 24.085 624 HA LYS 10 HA LYS 10 16.185 12.704 25.610 625 HB2 LYS 10 HB2 LYS 10 16.918 9.858 26.472 626 HB3 LYS 10 HB3 LYS 10 16.370 11.140 27.552 627 HG2 LYS 10 HG2 LYS 10 14.201 11.260 26.349 628 HG3 LYS 10 HG3 LYS 10 14.741 9.982 25.258 629 HD2 LYS 10 HD2 LYS 10 13.339 8.962 26.928 630 HD3 LYS 10 HD3 LYS 10 15.009 8.445 27.227 631 HE2 LYS 10 HE2 LYS 10 15.161 10.296 28.977 632 HE3 LYS 10 HE3 LYS 10 13.436 10.597 28.728 633 HZ1 LYS 10 HZ1 LYS 10 13.808 9.124 30.586 634 HZ2 LYS 10 HZ2 LYS 10 13.039 8.275 29.421 635 HZ3 LYS 10 HZ3 LYS 10 14.645 8.068 29.684 636 H ALA 11 H ALA 11 17.398 13.295 27.546 637 HA ALA 11 HA ALA 11 20.176 13.908 27.169 638 HB1 ALA 11 HB1 ALA 11 18.617 15.190 28.613 639 HB2 ALA 11 HB2 ALA 11 18.477 13.787 29.701 640 HB3 ALA 11 HB3 ALA 11 20.021 14.628 29.535 641 H ASP 12 H ASP 12 18.532 11.109 28.548 642 HA ASP 12 HA ASP 12 20.774 9.820 29.808 643 HB2 ASP 12 HB2 ASP 12 18.192 8.715 28.639 644 HB3 ASP 12 HB3 ASP 12 19.254 7.880 29.754 645 H GLY 13 H GLY 13 20.231 10.404 26.490 646 HA2 GLY 13 HA2 GLY 13 21.310 9.622 24.609 647 HA3 GLY 13 HA3 GLY 13 22.090 8.345 25.546 648 H GLY 14 H GLY 14 18.745 8.371 26.145 649 HA2 GLY 14 HA2 GLY 14 18.333 5.840 24.702 650 HA3 GLY 14 HA3 GLY 14 17.216 6.637 25.819 651 H ARG 15 H ARG 15 17.238 5.570 22.811 652 HA ARG 15 HA ARG 15 16.206 7.875 21.331 653 HB2 ARG 15 HB2 ARG 15 17.394 5.627 20.465 654 HB3 ARG 15 HB3 ARG 15 15.743 5.017 20.463 655 HG2 ARG 15 HG2 ARG 15 16.014 5.837 18.272 656 HG3 ARG 15 HG3 ARG 15 15.158 7.152 19.067 657 HD2 ARG 15 HD2 ARG 15 16.897 8.183 17.819 658 HD3 ARG 15 HD3 ARG 15 17.426 8.234 19.501 659 HE ARG 15 HE ARG 15 18.316 5.962 17.792 660 HH11 ARG 15 HH11 ARG 15 19.342 8.995 19.301 661 HH12 ARG 15 HH12 ARG 15 21.026 8.563 19.132 662 HH21 ARG 15 HH21 ARG 15 20.459 5.531 17.640 663 HH22 ARG 15 HH22 ARG 15 21.634 6.689 18.190 664 H VAL 16 H VAL 16 14.137 8.379 20.816 665 HA VAL 16 HA VAL 16 11.857 6.755 21.836 666 HB VAL 16 HB VAL 16 12.312 9.707 22.334 667 HG11 VAL 16 HG11 VAL 16 9.966 9.463 21.706 668 HG12 VAL 16 HG12 VAL 16 9.785 8.089 22.831 669 HG13 VAL 16 HG13 VAL 16 10.090 9.735 23.436 670 HG21 VAL 16 HG21 VAL 16 11.852 7.397 24.260 671 HG22 VAL 16 HG22 VAL 16 13.374 8.298 24.030 672 HG23 VAL 16 HG23 VAL 16 11.962 9.111 24.720 673 H GLU 17 H GLU 17 10.041 6.804 20.536 674 HA GLU 17 HA GLU 17 10.110 8.407 18.048 675 HB2 GLU 17 HB2 GLU 17 11.295 6.314 17.616 676 HB3 GLU 17 HB3 GLU 17 9.930 5.381 18.229 677 HG2 GLU 17 HG2 GLU 17 8.516 6.130 16.387 678 HG3 GLU 17 HG3 GLU 17 9.743 7.275 15.854 679 H ILE 18 H ILE 18 8.149 8.967 17.232 680 HA ILE 18 HA ILE 18 5.647 8.095 18.628 681 HB ILE 18 HB ILE 18 6.433 10.926 17.864 682 HG12 ILE 18 HG12 ILE 18 5.943 9.822 20.662 683 HG13 ILE 18 HG13 ILE 18 7.545 10.013 19.968 684 HG21 ILE 18 HG21 ILE 18 3.998 10.505 17.536 685 HG22 ILE 18 HG22 ILE 18 3.890 9.889 19.199 686 HG23 ILE 18 HG23 ILE 18 4.271 11.592 18.881 687 HD11 ILE 18 HD11 ILE 18 5.621 12.282 20.524 688 HD12 ILE 18 HD12 ILE 18 7.142 11.896 21.336 689 HD13 ILE 18 HD13 ILE 18 7.165 12.440 19.651 690 H GLY 19 H GLY 19 4.272 7.254 17.182 691 HA2 GLY 19 HA2 GLY 19 4.580 7.706 14.282 692 HA3 GLY 19 HA3 GLY 19 3.549 6.517 15.058 693 H ASP 20 H ASP 20 2.636 7.891 12.956 694 HA ASP 20 HA ASP 20 0.883 9.021 12.139 695 HB2 ASP 20 HB2 ASP 20 -0.415 8.437 14.807 696 HB3 ASP 20 HB3 ASP 20 -1.227 8.694 13.269 697 H VAL 21 H VAL 21 2.750 10.815 13.058 698 HA VAL 21 HA VAL 21 1.561 13.014 14.552 699 HB VAL 21 HB VAL 21 4.156 12.817 12.989 700 HG11 VAL 21 HG11 VAL 21 4.865 14.788 14.286 701 HG12 VAL 21 HG12 VAL 21 3.539 15.168 13.195 702 HG13 VAL 21 HG13 VAL 21 3.218 14.950 14.935 703 HG21 VAL 21 HG21 VAL 21 5.149 12.636 15.275 704 HG22 VAL 21 HG22 VAL 21 3.519 12.573 15.955 705 HG23 VAL 21 HG23 VAL 21 4.108 11.273 14.892 706 H LEU 22 H LEU 22 0.526 14.749 13.828 707 HA LEU 22 HA LEU 22 0.293 15.246 10.874 708 HB2 LEU 22 HB2 LEU 22 -1.570 15.970 13.169 709 HB3 LEU 22 HB3 LEU 22 -1.757 16.517 11.503 710 HG LEU 22 HG LEU 22 -1.983 13.658 12.509 711 HD11 LEU 22 HD11 LEU 22 -3.955 15.564 11.178 712 HD12 LEU 22 HD12 LEU 22 -4.296 13.905 11.672 713 HD13 LEU 22 HD13 LEU 22 -3.936 15.124 12.907 714 HD21 LEU 22 HD21 LEU 22 -2.130 14.706 9.645 715 HD22 LEU 22 HD22 LEU 22 -0.945 13.547 10.299 716 HD23 LEU 22 HD23 LEU 22 -2.635 13.076 10.167 717 H GLU 23 H GLU 23 1.423 16.701 13.875 718 HA GLU 23 HA GLU 23 2.722 18.733 12.264 719 HB2 GLU 23 HB2 GLU 23 1.903 20.701 13.396 720 HB3 GLU 23 HB3 GLU 23 0.571 19.858 12.617 721 HG2 GLU 23 HG2 GLU 23 -0.018 18.828 14.852 722 HG3 GLU 23 HG3 GLU 23 1.234 19.844 15.589 723 H VAL 24 H VAL 24 4.402 19.781 13.191 724 HA VAL 24 HA VAL 24 5.240 19.115 15.965 725 HB VAL 24 HB VAL 24 7.102 19.116 13.562 726 HG11 VAL 24 HG11 VAL 24 8.246 19.777 15.638 727 HG12 VAL 24 HG12 VAL 24 7.611 18.341 16.458 728 HG13 VAL 24 HG13 VAL 24 8.759 18.172 15.122 729 HG21 VAL 24 HG21 VAL 24 5.730 17.098 13.421 730 HG22 VAL 24 HG22 VAL 24 7.366 16.690 13.926 731 HG23 VAL 24 HG23 VAL 24 6.056 16.744 15.138 732 H ARG 25 H ARG 25 6.143 20.826 17.064 733 HA ARG 25 HA ARG 25 6.593 23.422 15.607 734 HB2 ARG 25 HB2 ARG 25 5.214 23.259 18.300 735 HB3 ARG 25 HB3 ARG 25 5.364 24.643 17.241 736 HG2 ARG 25 HG2 ARG 25 3.747 23.615 15.659 737 HG3 ARG 25 HG3 ARG 25 3.618 22.189 16.716 738 HD2 ARG 25 HD2 ARG 25 2.934 23.711 18.597 739 HD3 ARG 25 HD3 ARG 25 2.931 25.067 17.451 740 HE ARG 25 HE ARG 25 1.244 22.904 16.505 741 HH11 ARG 25 HH11 ARG 25 1.195 25.507 18.855 742 HH12 ARG 25 HH12 ARG 25 -0.544 25.627 18.798 743 HH21 ARG 25 HH21 ARG 25 -0.858 23.088 16.464 744 HH22 ARG 25 HH22 ARG 25 -1.720 24.237 17.499 745 H ALA 26 H ALA 26 8.428 24.459 16.159 746 HA ALA 26 HA ALA 26 9.905 23.648 18.610 747 HB1 ALA 26 HB1 ALA 26 11.180 23.717 16.518 748 HB2 ALA 26 HB2 ALA 26 10.722 25.412 16.273 749 HB3 ALA 26 HB3 ALA 26 11.736 24.956 17.654 750 H GLU 27 H GLU 27 9.262 24.649 20.373 751 HA GLU 27 HA GLU 27 8.280 27.449 20.434 752 HB2 GLU 27 HB2 GLU 27 8.713 25.370 22.630 753 HB3 GLU 27 HB3 GLU 27 8.036 26.973 22.889 754 HG2 GLU 27 HG2 GLU 27 6.771 24.814 21.150 755 HG3 GLU 27 HG3 GLU 27 6.368 25.142 22.830 756 H GLY 28 H GLY 28 9.274 28.777 22.305 757 HA2 GLY 28 HA2 GLY 28 12.099 29.230 21.869 758 HA3 GLY 28 HA3 GLY 28 11.051 30.073 23.010 759 H GLY 29 H GLY 29 12.013 26.631 22.795 760 HA2 GLY 29 HA2 GLY 29 13.946 26.229 24.600 761 HA3 GLY 29 HA3 GLY 29 12.594 26.532 25.708 762 H ALA 30 H ALA 30 11.206 24.935 23.113 763 HA ALA 30 HA ALA 30 11.840 22.182 23.901 764 HB1 ALA 30 HB1 ALA 30 10.270 22.958 25.687 765 HB2 ALA 30 HB2 ALA 30 9.091 23.407 24.438 766 HB3 ALA 30 HB3 ALA 30 9.532 21.710 24.660 767 H VAL 31 H VAL 31 10.669 20.585 22.618 768 HA VAL 31 HA VAL 31 9.344 21.677 20.147 769 HB VAL 31 HB VAL 31 10.836 19.065 20.409 770 HG11 VAL 31 HG11 VAL 31 9.087 20.133 18.137 771 HG12 VAL 31 HG12 VAL 31 10.250 18.813 17.959 772 HG13 VAL 31 HG13 VAL 31 8.866 18.613 19.038 773 HG21 VAL 31 HG21 VAL 31 12.201 21.131 19.973 774 HG22 VAL 31 HG22 VAL 31 12.239 19.982 18.631 775 HG23 VAL 31 HG23 VAL 31 11.227 21.443 18.534 776 H ARG 32 H ARG 32 7.340 21.167 19.740 777 HA ARG 32 HA ARG 32 5.809 19.303 21.522 778 HB2 ARG 32 HB2 ARG 32 4.903 21.687 19.874 779 HB3 ARG 32 HB3 ARG 32 3.814 20.592 20.741 780 HG2 ARG 32 HG2 ARG 32 4.654 21.299 22.890 781 HG3 ARG 32 HG3 ARG 32 5.996 22.177 22.149 782 HD2 ARG 32 HD2 ARG 32 4.369 23.795 22.800 783 HD3 ARG 32 HD3 ARG 32 4.418 23.700 21.032 784 HE ARG 32 HE ARG 32 2.333 21.991 22.099 785 HH11 ARG 32 HH11 ARG 32 2.954 25.420 21.451 786 HH12 ARG 32 HH12 ARG 32 1.234 25.772 21.515 787 HH21 ARG 32 HH21 ARG 32 0.337 22.479 22.071 788 HH22 ARG 32 HH22 ARG 32 -0.262 24.111 21.739 789 H VAL 33 H VAL 33 4.486 17.807 20.623 790 HA VAL 33 HA VAL 33 4.458 17.367 17.657 791 HB VAL 33 HB VAL 33 5.099 15.262 19.767 792 HG11 VAL 33 HG11 VAL 33 3.839 14.251 17.922 793 HG12 VAL 33 HG12 VAL 33 4.908 15.022 16.741 794 HG13 VAL 33 HG13 VAL 33 5.519 13.758 17.825 795 HG21 VAL 33 HG21 VAL 33 6.897 16.433 17.609 796 HG22 VAL 33 HG22 VAL 33 7.070 16.677 19.366 797 HG23 VAL 33 HG23 VAL 33 7.297 15.070 18.675 798 H THR 34 H THR 34 2.421 16.781 16.906 799 HA THR 34 HA THR 34 0.433 15.758 18.902 800 HB THR 34 HB THR 34 -0.098 17.912 16.854 801 HG1 THR 34 HG1 THR 34 0.948 18.645 18.706 802 HG21 THR 34 HG21 THR 34 -2.107 16.557 17.051 803 HG22 THR 34 HG22 THR 34 -1.964 16.533 18.825 804 HG23 THR 34 HG23 THR 34 -2.333 18.047 17.977 805 H THR 35 H THR 35 -0.714 14.044 18.340 806 HA THR 35 HA THR 35 -0.219 12.815 15.713 807 HB THR 35 HB THR 35 -1.034 10.794 16.614 808 HG1 THR 35 HG1 THR 35 -1.929 10.699 18.680 809 HG21 THR 35 HG21 THR 35 1.246 11.454 17.376 810 HG22 THR 35 HG22 THR 35 0.528 12.132 18.863 811 HG23 THR 35 HG23 THR 35 0.400 10.397 18.518 812 H LEU 36 H LEU 36 -1.880 11.598 14.618 813 HA LEU 36 HA LEU 36 -4.224 12.875 13.744 814 HB2 LEU 36 HB2 LEU 36 -3.060 11.081 12.558 815 HB3 LEU 36 HB3 LEU 36 -3.313 9.983 13.904 816 HG LEU 36 HG LEU 36 -5.734 9.891 13.443 817 HD11 LEU 36 HD11 LEU 36 -5.075 11.609 11.012 818 HD12 LEU 36 HD12 LEU 36 -6.633 10.805 11.340 819 HD13 LEU 36 HD13 LEU 36 -6.079 12.108 12.392 820 HD21 LEU 36 HD21 LEU 36 -4.162 8.303 12.368 821 HD22 LEU 36 HD22 LEU 36 -5.607 8.602 11.399 822 HD23 LEU 36 HD23 LEU 36 -4.065 9.381 10.952 823 H PHE 37 H PHE 37 -3.755 10.885 16.616 824 HA PHE 37 HA PHE 37 -6.668 10.799 17.155 825 HB2 PHE 37 HB2 PHE 37 -4.415 9.304 18.514 826 HB3 PHE 37 HB3 PHE 37 -6.147 9.065 18.757 827 HD1 PHE 37 HD1 PHE 37 -3.279 8.152 16.730 828 HD2 PHE 37 HD2 PHE 37 -7.585 8.401 16.721 829 HE1 PHE 37 HE1 PHE 37 -3.359 6.728 14.693 830 HE2 PHE 37 HE2 PHE 37 -7.662 6.991 14.678 831 HZ PHE 37 HZ PHE 37 -5.550 6.173 13.649 832 H ASP 38 H ASP 38 -4.782 13.187 17.486 833 HA ASP 38 HA ASP 38 -4.629 15.000 18.741 834 HB2 ASP 38 HB2 ASP 38 -7.141 14.706 18.519 835 HB3 ASP 38 HB3 ASP 38 -7.151 14.127 20.183 836 H GLU 39 H GLU 39 -3.208 12.650 19.752 837 HA GLU 39 HA GLU 39 -2.866 13.286 22.646 838 HB2 GLU 39 HB2 GLU 39 -1.253 11.459 20.834 839 HB3 GLU 39 HB3 GLU 39 -1.025 11.667 22.557 840 HG2 GLU 39 HG2 GLU 39 -3.475 10.461 21.195 841 HG3 GLU 39 HG3 GLU 39 -2.208 9.580 22.042 842 H GLU 40 H GLU 40 -1.565 14.865 23.291 843 HA GLU 40 HA GLU 40 0.432 16.027 21.401 844 HB2 GLU 40 HB2 GLU 40 -1.245 17.615 22.125 845 HB3 GLU 40 HB3 GLU 40 -0.859 17.299 23.828 846 HG2 GLU 40 HG2 GLU 40 1.382 18.209 23.567 847 HG3 GLU 40 HG3 GLU 40 1.195 18.309 21.813 848 H HIS 41 H HIS 41 2.517 16.048 21.872 849 HA HIS 41 HA HIS 41 3.531 15.104 24.529 850 HB2 HIS 41 HB2 HIS 41 4.800 14.459 21.855 851 HB3 HIS 41 HB3 HIS 41 5.221 13.814 23.438 852 HD2 HIS 41 HD2 HIS 41 2.846 13.347 20.495 853 HE1 HIS 41 HE1 HIS 41 1.816 10.279 23.275 854 HE2 HIS 41 HE2 HIS 41 1.424 11.161 20.919 855 H ALA 42 H ALA 42 5.425 16.163 25.245 856 HA ALA 42 HA ALA 42 6.606 18.249 23.534 857 HB1 ALA 42 HB1 ALA 42 4.753 19.366 24.715 858 HB2 ALA 42 HB2 ALA 42 5.422 18.847 26.276 859 HB3 ALA 42 HB3 ALA 42 6.322 19.986 25.252 860 H PHE 43 H PHE 43 8.681 18.681 23.876 861 HA PHE 43 HA PHE 43 10.160 17.174 25.987 862 HB2 PHE 43 HB2 PHE 43 10.736 17.271 23.024 863 HB3 PHE 43 HB3 PHE 43 11.740 16.479 24.242 864 HD1 PHE 43 HD1 PHE 43 10.864 14.451 25.462 865 HD2 PHE 43 HD2 PHE 43 8.724 16.250 22.178 866 HE1 PHE 43 HE1 PHE 43 9.434 12.419 25.269 867 HE2 PHE 43 HE2 PHE 43 7.308 14.223 21.984 868 HZ PHE 43 HZ PHE 43 7.640 12.312 23.561 869 HA PRO 44 HA PRO 44 11.927 21.371 26.118 870 HB2 PRO 44 HB2 PRO 44 13.243 21.219 28.488 871 HB3 PRO 44 HB3 PRO 44 11.461 21.370 28.362 872 HG2 PRO 44 HG2 PRO 44 13.086 18.838 28.769 873 HG3 PRO 44 HG3 PRO 44 11.648 19.384 29.688 874 HD2 PRO 44 HD2 PRO 44 11.466 17.612 27.632 875 HD3 PRO 44 HD3 PRO 44 10.186 18.824 27.934 876 H GLY 45 H GLY 45 13.862 22.249 25.586 877 HA2 GLY 45 HA2 GLY 45 16.097 22.480 25.129 878 HA3 GLY 45 HA3 GLY 45 16.421 20.911 25.878 879 H LEU 46 H LEU 46 14.102 20.603 23.383 880 HA LEU 46 HA LEU 46 16.153 19.629 21.467 881 HB2 LEU 46 HB2 LEU 46 13.142 19.239 21.464 882 HB3 LEU 46 HB3 LEU 46 14.274 18.545 20.309 883 HG LEU 46 HG LEU 46 13.981 17.854 23.247 884 HD11 LEU 46 HD11 LEU 46 12.407 16.855 21.555 885 HD12 LEU 46 HD12 LEU 46 13.802 16.165 20.715 886 HD13 LEU 46 HD13 LEU 46 13.416 15.660 22.375 887 HD21 LEU 46 HD21 LEU 46 16.392 17.774 22.820 888 HD22 LEU 46 HD22 LEU 46 15.764 16.128 22.846 889 HD23 LEU 46 HD23 LEU 46 16.127 16.910 21.292 890 H ALA 47 H ALA 47 15.860 19.968 19.223 891 HA ALA 47 HA ALA 47 14.150 22.178 18.281 892 HB1 ALA 47 HB1 ALA 47 15.998 23.110 16.913 893 HB2 ALA 47 HB2 ALA 47 16.332 23.257 18.651 894 HB3 ALA 47 HB3 ALA 47 17.139 21.993 17.699 895 H ILE 48 H ILE 48 13.789 22.043 15.935 896 HA ILE 48 HA ILE 48 13.582 19.249 15.032 897 HB ILE 48 HB ILE 48 12.752 21.827 13.682 898 HG12 ILE 48 HG12 ILE 48 10.918 19.799 15.041 899 HG13 ILE 48 HG13 ILE 48 11.553 21.208 15.886 900 HG21 ILE 48 HG21 ILE 48 13.100 20.009 12.033 901 HG22 ILE 48 HG22 ILE 48 12.108 18.907 13.008 902 HG23 ILE 48 HG23 ILE 48 11.379 20.309 12.207 903 HD11 ILE 48 HD11 ILE 48 9.724 21.261 13.463 904 HD12 ILE 48 HD12 ILE 48 9.375 21.784 15.120 905 HD13 ILE 48 HD13 ILE 48 10.527 22.697 14.138 906 H GLY 49 H GLY 49 15.088 18.205 13.887 907 HA2 GLY 49 HA2 GLY 49 17.494 19.664 12.941 908 HA3 GLY 49 HA3 GLY 49 17.329 17.941 13.270 909 H ARG 50 H ARG 50 15.351 17.026 11.705 910 HA ARG 50 HA ARG 50 15.776 17.951 8.911 911 HB2 ARG 50 HB2 ARG 50 17.587 16.400 9.308 912 HB3 ARG 50 HB3 ARG 50 16.497 15.202 10.008 913 HG2 ARG 50 HG2 ARG 50 15.444 14.782 7.856 914 HG3 ARG 50 HG3 ARG 50 16.306 16.150 7.125 915 HD2 ARG 50 HD2 ARG 50 17.373 14.141 6.448 916 HD3 ARG 50 HD3 ARG 50 18.469 15.003 7.531 917 HE ARG 50 HE ARG 50 16.857 13.078 8.981 918 HH11 ARG 50 HH11 ARG 50 19.637 13.146 6.848 919 HH12 ARG 50 HH12 ARG 50 20.295 11.674 7.519 920 HH21 ARG 50 HH21 ARG 50 17.755 11.197 9.771 921 HH22 ARG 50 HH22 ARG 50 19.258 10.617 9.113 922 H VAL 51 H VAL 51 14.251 17.374 7.469 923 HA VAL 51 HA VAL 51 11.794 15.902 8.361 924 HB VAL 51 HB VAL 51 11.822 18.495 6.777 925 HG11 VAL 51 HG11 VAL 51 9.356 18.435 7.168 926 HG12 VAL 51 HG12 VAL 51 9.931 17.108 6.152 927 HG13 VAL 51 HG13 VAL 51 9.522 16.814 7.861 928 HG21 VAL 51 HG21 VAL 51 10.784 19.567 8.683 929 HG22 VAL 51 HG22 VAL 51 10.940 18.080 9.654 930 HG23 VAL 51 HG23 VAL 51 12.382 18.978 9.125 931 H ASP 52 H ASP 52 11.098 14.446 6.873 932 HA ASP 52 HA ASP 52 11.993 14.632 4.024 933 HB2 ASP 52 HB2 ASP 52 13.554 13.217 5.325 934 HB3 ASP 52 HB3 ASP 52 12.210 12.162 5.779 935 H LEU 53 H LEU 53 10.202 14.794 2.853 936 HA LEU 53 HA LEU 53 7.613 13.824 3.864 937 HB2 LEU 53 HB2 LEU 53 8.317 15.330 1.317 938 HB3 LEU 53 HB3 LEU 53 6.704 15.000 1.916 939 HG LEU 53 HG LEU 53 7.073 17.217 2.367 940 HD11 LEU 53 HD11 LEU 53 7.693 15.888 5.025 941 HD12 LEU 53 HD12 LEU 53 6.942 17.479 4.770 942 HD13 LEU 53 HD13 LEU 53 6.076 16.010 4.281 943 HD21 LEU 53 HD21 LEU 53 8.900 18.273 3.484 944 HD22 LEU 53 HD22 LEU 53 9.718 16.732 3.771 945 HD23 LEU 53 HD23 LEU 53 9.501 17.358 2.106 946 H ARG 54 H ARG 54 10.036 12.645 1.711 947 HA ARG 54 HA ARG 54 8.361 10.807 0.124 948 HB2 ARG 54 HB2 ARG 54 10.377 11.407 -0.904 949 HB3 ARG 54 HB3 ARG 54 11.287 11.344 0.580 950 HG2 ARG 54 HG2 ARG 54 10.986 8.738 0.461 951 HG3 ARG 54 HG3 ARG 54 10.465 9.040 -1.197 952 HD2 ARG 54 HD2 ARG 54 12.818 8.524 -1.168 953 HD3 ARG 54 HD3 ARG 54 12.650 10.242 -1.578 954 HE ARG 54 HE ARG 54 12.927 10.288 1.171 955 HH11 ARG 54 HH11 ARG 54 14.972 8.886 -1.313 956 HH12 ARG 54 HH12 ARG 54 16.408 9.051 -0.341 957 HH21 ARG 54 HH21 ARG 54 14.749 10.495 2.332 958 HH22 ARG 54 HH22 ARG 54 16.273 9.934 1.693 959 H SER 55 H SER 55 10.567 10.515 2.918 960 HA SER 55 HA SER 55 9.725 7.754 3.453 961 HB2 SER 55 HB2 SER 55 11.479 9.655 5.056 962 HB3 SER 55 HB3 SER 55 11.253 7.923 5.377 963 HG SER 55 HG SER 55 13.126 8.324 4.115 964 H GLY 56 H GLY 56 8.671 10.906 4.616 965 HA2 GLY 56 HA2 GLY 56 6.922 11.484 6.023 966 HA3 GLY 56 HA3 GLY 56 6.504 9.771 6.222 967 H VAL 57 H VAL 57 9.458 11.711 6.944 968 HA VAL 57 HA VAL 57 9.383 10.787 9.787 969 HB VAL 57 HB VAL 57 11.778 10.559 7.941 970 HG11 VAL 57 HG11 VAL 57 11.531 10.005 10.932 971 HG12 VAL 57 HG12 VAL 57 12.896 9.483 9.912 972 HG13 VAL 57 HG13 VAL 57 12.593 11.192 10.138 973 HG21 VAL 57 HG21 VAL 57 10.130 8.442 9.391 974 HG22 VAL 57 HG22 VAL 57 10.191 8.700 7.629 975 HG23 VAL 57 HG23 VAL 57 11.630 8.132 8.475 976 H ILE 58 H ILE 58 10.040 12.190 11.282 977 HA ILE 58 HA ILE 58 11.627 14.589 10.479 978 HB ILE 58 HB ILE 58 9.423 14.516 12.561 979 HG12 ILE 58 HG12 ILE 58 8.881 16.613 10.803 980 HG13 ILE 58 HG13 ILE 58 9.535 15.414 9.713 981 HG21 ILE 58 HG21 ILE 58 11.323 16.770 11.802 982 HG22 ILE 58 HG22 ILE 58 9.897 16.941 12.852 983 HG23 ILE 58 HG23 ILE 58 11.231 15.922 13.368 984 HD11 ILE 58 HD11 ILE 58 7.129 15.161 9.863 985 HD12 ILE 58 HD12 ILE 58 7.861 13.747 10.653 986 HD13 ILE 58 HD13 ILE 58 7.177 15.066 11.631 987 H SER 59 H SER 59 13.444 14.885 11.628 988 HA SER 59 HA SER 59 13.958 13.141 14.019 989 HB2 SER 59 HB2 SER 59 15.313 12.502 12.079 990 HB3 SER 59 HB3 SER 59 15.950 14.157 11.981 991 HG SER 59 HG SER 59 17.347 12.788 13.164 992 H LEU 60 H LEU 60 14.298 14.129 15.860 993 HA LEU 60 HA LEU 60 14.793 17.065 15.955 994 HB2 LEU 60 HB2 LEU 60 14.019 15.227 18.222 995 HB3 LEU 60 HB3 LEU 60 14.041 16.986 18.238 996 HG LEU 60 HG LEU 60 12.102 15.187 16.710 997 HD11 LEU 60 HD11 LEU 60 11.677 15.429 19.117 998 HD12 LEU 60 HD12 LEU 60 11.713 17.185 18.968 999 HD13 LEU 60 HD13 LEU 60 10.431 16.251 18.167 1000 HD21 LEU 60 HD21 LEU 60 10.938 17.292 16.063 1001 HD22 LEU 60 HD22 LEU 60 12.301 18.228 16.715 1002 HD23 LEU 60 HD23 LEU 60 12.528 17.152 15.307 1003 H ILE 61 H ILE 61 16.357 17.949 17.297 1004 HA ILE 61 HA ILE 61 18.608 16.201 18.185 1005 HB ILE 61 HB ILE 61 20.241 17.745 17.305 1006 HG12 ILE 61 HG12 ILE 61 19.104 19.303 15.350 1007 HG13 ILE 61 HG13 ILE 61 17.881 19.420 16.613 1008 HG21 ILE 61 HG21 ILE 61 19.527 15.805 15.945 1009 HG22 ILE 61 HG22 ILE 61 18.367 16.841 15.089 1010 HG23 ILE 61 HG23 ILE 61 20.107 17.157 14.963 1011 HD11 ILE 61 HD11 ILE 61 19.547 20.267 18.195 1012 HD12 ILE 61 HD12 ILE 61 20.839 20.040 16.994 1013 HD13 ILE 61 HD13 ILE 61 19.564 21.238 16.717 1014 H GLU 62 H GLU 62 20.028 17.242 19.720 1015 HA GLU 62 HA GLU 62 18.516 18.717 21.782 1016 HB2 GLU 62 HB2 GLU 62 21.356 17.649 21.710 1017 HB3 GLU 62 HB3 GLU 62 20.636 18.520 23.071 1018 HG2 GLU 62 HG2 GLU 62 18.837 16.809 23.213 1019 HG3 GLU 62 HG3 GLU 62 19.624 15.882 21.932 1020 H GLU 63 H GLU 63 18.437 20.855 21.935 1021 HA GLU 63 HA GLU 63 19.906 22.574 20.138 1022 HB2 GLU 63 HB2 GLU 63 17.519 22.790 20.764 1023 HB3 GLU 63 HB3 GLU 63 17.969 23.258 22.394 1024 HG2 GLU 63 HG2 GLU 63 19.269 24.881 20.252 1025 HG3 GLU 63 HG3 GLU 63 17.512 24.935 20.225 1026 H GLN 64 H GLN 64 21.393 24.225 20.638 1027 HA GLN 64 HA GLN 64 23.020 23.702 23.090 1028 HB2 GLN 64 HB2 GLN 64 23.931 24.421 20.292 1029 HB3 GLN 64 HB3 GLN 64 24.989 24.074 21.658 1030 HG2 GLN 64 HG2 GLN 64 23.105 22.114 20.276 1031 HG3 GLN 64 HG3 GLN 64 24.843 22.157 20.126 1032 HE21 GLN 64 HE21 GLN 64 22.725 20.142 21.306 1033 HE22 GLN 64 HE22 GLN 64 23.523 19.661 22.812 1034 H ASN 65 H ASN 65 21.046 26.051 22.211 1035 HA ASN 65 HA ASN 65 22.815 28.387 22.641 1036 HB2 ASN 65 HB2 ASN 65 20.790 28.189 20.993 1037 HB3 ASN 65 HB3 ASN 65 19.777 28.389 22.421 1038 HD21 ASN 65 HD21 ASN 65 19.437 30.188 20.482 1039 HD22 ASN 65 HD22 ASN 65 20.248 31.709 20.875 1040 H ARG 66 H ARG 66 20.434 26.375 24.253 1041 HA ARG 66 HA ARG 66 20.026 27.732 26.717 1042 HB2 ARG 66 HB2 ARG 66 19.324 25.551 27.563 1043 HB3 ARG 66 HB3 ARG 66 18.659 25.876 25.967 1044 HG2 ARG 66 HG2 ARG 66 20.492 24.429 24.972 1045 HG3 ARG 66 HG3 ARG 66 20.992 24.013 26.606 1046 HD2 ARG 66 HD2 ARG 66 18.194 23.557 25.473 1047 HD3 ARG 66 HD3 ARG 66 19.464 22.346 25.439 1048 HE ARG 66 HE ARG 66 17.912 23.219 27.781 1049 HH11 ARG 66 HH11 ARG 66 20.754 21.422 26.770 1050 HH12 ARG 66 HH12 ARG 66 20.887 20.619 28.317 1051 HH21 ARG 66 HH21 ARG 66 18.158 22.145 29.714 1052 HH22 ARG 66 HH22 ARG 66 19.455 21.010 29.917 Start of MODEL 2 1 H1 GLY -3 H1 GLY -3 7.035 -1.851 -6.030 2 H2 GLY -3 H2 GLY -3 6.413 -1.665 -7.535 3 H3 GLY -3 H3 GLY -3 5.615 -1.063 -6.242 4 HA2 GLY -3 HA2 GLY -3 8.234 -0.154 -7.242 5 HA3 GLY -3 HA3 GLY -3 6.704 0.711 -7.440 6 HA PRO -2 HA PRO -2 8.999 2.333 -3.751 7 HB2 PRO -2 HB2 PRO -2 7.781 4.890 -4.806 8 HB3 PRO -2 HB3 PRO -2 9.411 4.616 -4.128 9 HG2 PRO -2 HG2 PRO -2 9.100 4.798 -6.801 10 HG3 PRO -2 HG3 PRO -2 10.127 3.491 -6.125 11 HD2 PRO -2 HD2 PRO -2 7.224 3.321 -7.011 12 HD3 PRO -2 HD3 PRO -2 8.586 2.247 -7.433 13 H GLY -1 H GLY -1 5.623 2.550 -4.578 14 HA2 GLY -1 HA2 GLY -1 3.735 2.515 -3.163 15 HA3 GLY -1 HA3 GLY -1 4.759 2.792 -1.764 16 H SER 0 H SER 0 2.874 4.266 -1.315 17 HA SER 0 HA SER 0 2.261 6.554 -2.843 18 HB2 SER 0 HB2 SER 0 1.948 6.174 0.156 19 HB3 SER 0 HB3 SER 0 1.120 7.380 -0.845 20 HG SER 0 HG SER 0 -0.161 5.505 -0.471 21 H MET 1 H MET 1 3.041 8.535 -3.043 22 HA MET 1 HA MET 1 5.546 9.320 -1.679 23 HB2 MET 1 HB2 MET 1 3.997 10.457 -4.037 24 HB3 MET 1 HB3 MET 1 5.430 11.222 -3.382 25 HG2 MET 1 HG2 MET 1 5.343 8.379 -4.445 26 HG3 MET 1 HG3 MET 1 5.865 9.778 -5.371 27 HE1 MET 1 HE1 MET 1 9.275 10.768 -3.751 28 HE2 MET 1 HE2 MET 1 8.073 11.115 -5.018 29 HE3 MET 1 HE3 MET 1 7.711 11.492 -3.306 30 H CYS 2 H CYS 2 5.863 11.426 -0.833 31 HA CYS 2 HA CYS 2 3.529 13.167 -0.394 32 HB2 CYS 2 HB2 CYS 2 3.668 11.970 1.748 33 HB3 CYS 2 HB3 CYS 2 5.384 12.328 1.850 34 H MET 3 H MET 3 4.039 15.328 -0.384 35 HA MET 3 HA MET 3 6.795 16.251 -0.271 36 HB2 MET 3 HB2 MET 3 6.779 17.524 -2.321 37 HB3 MET 3 HB3 MET 3 6.514 15.826 -2.673 38 HG2 MET 3 HG2 MET 3 5.042 16.920 -4.085 39 HG3 MET 3 HG3 MET 3 4.004 16.356 -2.781 40 HE1 MET 3 HE1 MET 3 2.134 17.951 -3.790 41 HE2 MET 3 HE2 MET 3 2.330 19.689 -4.068 42 HE3 MET 3 HE3 MET 3 3.247 18.530 -5.050 43 H ALA 4 H ALA 4 6.873 18.634 -0.135 44 HA ALA 4 HA ALA 4 4.418 19.921 0.971 45 HB1 ALA 4 HB1 ALA 4 7.100 19.629 2.410 46 HB2 ALA 4 HB2 ALA 4 5.693 20.526 3.017 47 HB3 ALA 4 HB3 ALA 4 5.589 18.771 2.830 48 H LYS 5 H LYS 5 5.185 22.276 1.750 49 HA LYS 5 HA LYS 5 7.270 23.335 -0.096 50 HB2 LYS 5 HB2 LYS 5 6.175 25.405 -0.386 51 HB3 LYS 5 HB3 LYS 5 5.081 24.116 -0.871 52 HG2 LYS 5 HG2 LYS 5 3.782 24.375 1.181 53 HG3 LYS 5 HG3 LYS 5 4.949 25.557 1.811 54 HD2 LYS 5 HD2 LYS 5 4.473 27.055 -0.115 55 HD3 LYS 5 HD3 LYS 5 3.238 25.916 -0.680 56 HE2 LYS 5 HE2 LYS 5 1.930 26.257 1.378 57 HE3 LYS 5 HE3 LYS 5 3.230 27.254 2.062 58 HZ1 LYS 5 HZ1 LYS 5 1.507 28.659 1.122 59 HZ2 LYS 5 HZ2 LYS 5 2.882 28.836 0.239 60 HZ3 LYS 5 HZ3 LYS 5 1.631 27.948 -0.344 61 H VAL 6 H VAL 6 8.683 24.808 0.638 62 HA VAL 6 HA VAL 6 8.891 25.198 3.597 63 HB VAL 6 HB VAL 6 10.898 25.472 1.352 64 HG11 VAL 6 HG11 VAL 6 11.223 26.510 4.197 65 HG12 VAL 6 HG12 VAL 6 12.545 26.273 3.030 66 HG13 VAL 6 HG13 VAL 6 11.309 27.482 2.697 67 HG21 VAL 6 HG21 VAL 6 12.157 23.930 2.783 68 HG22 VAL 6 HG22 VAL 6 10.897 24.015 4.029 69 HG23 VAL 6 HG23 VAL 6 10.550 23.267 2.450 70 H VAL 7 H VAL 7 8.807 27.176 4.524 71 HA VAL 7 HA VAL 7 8.618 29.581 2.808 72 HB VAL 7 HB VAL 7 6.324 29.033 3.355 73 HG11 VAL 7 HG11 VAL 7 7.080 29.348 6.283 74 HG12 VAL 7 HG12 VAL 7 5.431 29.151 5.633 75 HG13 VAL 7 HG13 VAL 7 6.601 27.834 5.499 76 HG21 VAL 7 HG21 VAL 7 7.190 31.448 4.989 77 HG22 VAL 7 HG22 VAL 7 7.094 31.426 3.218 78 HG23 VAL 7 HG23 VAL 7 5.636 31.180 4.190 79 H LEU 8 H LEU 8 9.708 31.295 3.490 80 HA LEU 8 HA LEU 8 10.740 31.569 6.221 81 HB2 LEU 8 HB2 LEU 8 13.075 31.636 5.604 82 HB3 LEU 8 HB3 LEU 8 12.372 30.127 5.066 83 HG LEU 8 HG LEU 8 12.075 31.525 2.754 84 HD11 LEU 8 HD11 LEU 8 14.178 32.824 2.365 85 HD12 LEU 8 HD12 LEU 8 13.143 33.602 3.569 86 HD13 LEU 8 HD13 LEU 8 14.579 32.685 4.082 87 HD21 LEU 8 HD21 LEU 8 13.219 29.361 3.008 88 HD22 LEU 8 HD22 LEU 8 14.113 30.470 1.954 89 HD23 LEU 8 HD23 LEU 8 14.663 30.203 3.627 90 H THR 9 H THR 9 11.778 33.737 6.537 91 HA THR 9 HA THR 9 10.890 35.767 4.525 92 HB THR 9 HB THR 9 10.443 36.110 7.503 93 HG1 THR 9 HG1 THR 9 9.030 34.553 6.766 94 HG21 THR 9 HG21 THR 9 10.631 38.228 6.234 95 HG22 THR 9 HG22 THR 9 9.411 37.642 5.075 96 HG23 THR 9 HG23 THR 9 8.962 37.952 6.760 97 H LYS 10 H LYS 10 12.279 37.281 4.075 98 HA LYS 10 HA LYS 10 14.988 37.291 5.114 99 HB2 LYS 10 HB2 LYS 10 13.429 39.161 3.276 100 HB3 LYS 10 HB3 LYS 10 15.150 39.356 3.631 101 HG2 LYS 10 HG2 LYS 10 15.675 37.184 2.718 102 HG3 LYS 10 HG3 LYS 10 13.975 36.841 2.379 103 HD2 LYS 10 HD2 LYS 10 15.414 39.241 1.201 104 HD3 LYS 10 HD3 LYS 10 15.408 37.643 0.425 105 HE2 LYS 10 HE2 LYS 10 12.904 37.693 0.417 106 HE3 LYS 10 HE3 LYS 10 12.966 39.326 1.097 107 HZ1 LYS 10 HZ1 LYS 10 12.730 39.386 -1.321 108 HZ2 LYS 10 HZ2 LYS 10 14.165 40.036 -0.901 109 HZ3 LYS 10 HZ3 LYS 10 14.095 38.531 -1.529 110 H ALA 11 H ALA 11 16.119 39.161 5.917 111 HA ALA 11 HA ALA 11 15.004 40.351 8.286 112 HB1 ALA 11 HB1 ALA 11 17.113 41.625 8.286 113 HB2 ALA 11 HB2 ALA 11 17.411 39.911 7.928 114 HB3 ALA 11 HB3 ALA 11 17.446 41.111 6.616 115 H ASP 12 H ASP 12 15.081 41.412 4.918 116 HA ASP 12 HA ASP 12 14.144 44.126 5.368 117 HB2 ASP 12 HB2 ASP 12 14.230 42.326 2.917 118 HB3 ASP 12 HB3 ASP 12 13.813 44.031 2.909 119 H GLY 13 H GLY 13 12.548 41.191 5.802 120 HA2 GLY 13 HA2 GLY 13 10.338 40.850 6.406 121 HA3 GLY 13 HA3 GLY 13 9.877 42.427 5.774 122 H GLY 14 H GLY 14 11.707 40.675 3.456 123 HA2 GLY 14 HA2 GLY 14 9.331 40.237 1.776 124 HA3 GLY 14 HA3 GLY 14 11.015 40.033 1.310 125 H ARG 15 H ARG 15 8.217 38.359 1.793 126 HA ARG 15 HA ARG 15 9.293 35.914 3.003 127 HB2 ARG 15 HB2 ARG 15 6.883 36.812 3.159 128 HB3 ARG 15 HB3 ARG 15 6.656 36.143 1.527 129 HG2 ARG 15 HG2 ARG 15 7.320 33.885 2.423 130 HG3 ARG 15 HG3 ARG 15 7.583 34.611 4.006 131 HD2 ARG 15 HD2 ARG 15 5.456 33.616 4.144 132 HD3 ARG 15 HD3 ARG 15 5.157 35.335 4.010 133 HE ARG 15 HE ARG 15 4.789 33.260 1.856 134 HH11 ARG 15 HH11 ARG 15 4.009 36.557 2.852 135 HH12 ARG 15 HH12 ARG 15 2.886 36.727 1.530 136 HH21 ARG 15 HH21 ARG 15 3.451 33.523 0.341 137 HH22 ARG 15 HH22 ARG 15 2.524 35.009 0.113 138 H VAL 16 H VAL 16 9.733 33.991 2.071 139 HA VAL 16 HA VAL 16 9.887 33.754 -0.890 140 HB VAL 16 HB VAL 16 12.101 33.104 1.065 141 HG11 VAL 16 HG11 VAL 16 12.084 31.396 -0.681 142 HG12 VAL 16 HG12 VAL 16 11.974 32.651 -1.942 143 HG13 VAL 16 HG13 VAL 16 13.434 32.498 -0.943 144 HG21 VAL 16 HG21 VAL 16 11.977 35.159 -1.176 145 HG22 VAL 16 HG22 VAL 16 12.076 35.488 0.567 146 HG23 VAL 16 HG23 VAL 16 13.441 34.734 -0.254 147 H GLU 17 H GLU 17 9.389 31.729 -1.668 148 HA GLU 17 HA GLU 17 8.881 29.520 0.241 149 HB2 GLU 17 HB2 GLU 17 6.862 30.578 -1.777 150 HB3 GLU 17 HB3 GLU 17 6.725 29.045 -0.904 151 HG2 GLU 17 HG2 GLU 17 6.690 30.215 1.241 152 HG3 GLU 17 HG3 GLU 17 6.859 31.778 0.436 153 H ILE 18 H ILE 18 9.028 27.471 -0.547 154 HA ILE 18 HA ILE 18 9.894 27.030 -3.392 155 HB ILE 18 HB ILE 18 11.114 25.802 -0.895 156 HG12 ILE 18 HG12 ILE 18 12.617 27.444 -2.959 157 HG13 ILE 18 HG13 ILE 18 11.881 28.201 -1.554 158 HG21 ILE 18 HG21 ILE 18 10.972 24.155 -2.724 159 HG22 ILE 18 HG22 ILE 18 11.768 25.287 -3.841 160 HG23 ILE 18 HG23 ILE 18 12.638 24.600 -2.450 161 HD11 ILE 18 HD11 ILE 18 13.922 25.960 -1.337 162 HD12 ILE 18 HD12 ILE 18 14.229 27.690 -1.157 163 HD13 ILE 18 HD13 ILE 18 13.168 26.846 -0.004 164 H GLY 19 H GLY 19 8.506 25.656 -4.322 165 HA2 GLY 19 HA2 GLY 19 6.722 23.934 -2.689 166 HA3 GLY 19 HA3 GLY 19 6.567 24.279 -4.410 167 H ASP 20 H ASP 20 6.142 21.793 -3.705 168 HA ASP 20 HA ASP 20 6.617 19.633 -4.083 169 HB2 ASP 20 HB2 ASP 20 8.526 20.668 -6.187 170 HB3 ASP 20 HB3 ASP 20 7.687 19.125 -6.177 171 H VAL 21 H VAL 21 8.077 20.561 -1.894 172 HA VAL 21 HA VAL 21 10.860 19.725 -2.010 173 HB VAL 21 HB VAL 21 9.073 20.521 0.317 174 HG11 VAL 21 HG11 VAL 21 11.189 20.923 1.530 175 HG12 VAL 21 HG12 VAL 21 10.945 19.219 1.188 176 HG13 VAL 21 HG13 VAL 21 12.093 20.164 0.213 177 HG21 VAL 21 HG21 VAL 21 9.418 22.348 -1.306 178 HG22 VAL 21 HG22 VAL 21 10.318 22.672 0.162 179 HG23 VAL 21 HG23 VAL 21 11.175 22.071 -1.275 180 H LEU 22 H LEU 22 11.738 17.836 -1.637 181 HA LEU 22 HA LEU 22 10.159 15.520 -0.603 182 HB2 LEU 22 HB2 LEU 22 12.893 15.777 -1.928 183 HB3 LEU 22 HB3 LEU 22 12.268 14.277 -1.277 184 HG LEU 22 HG LEU 22 11.015 15.845 -3.558 185 HD11 LEU 22 HD11 LEU 22 11.796 13.876 -4.905 186 HD12 LEU 22 HD12 LEU 22 13.138 14.754 -4.156 187 HD13 LEU 22 HD13 LEU 22 12.577 13.216 -3.461 188 HD21 LEU 22 HD21 LEU 22 9.244 14.600 -2.388 189 HD22 LEU 22 HD22 LEU 22 9.643 13.777 -3.898 190 HD23 LEU 22 HD23 LEU 22 10.258 13.134 -2.359 191 H GLU 23 H GLU 23 12.888 17.629 0.333 192 HA GLU 23 HA GLU 23 12.504 16.766 3.065 193 HB2 GLU 23 HB2 GLU 23 14.733 16.014 3.575 194 HB3 GLU 23 HB3 GLU 23 13.995 14.971 2.388 195 HG2 GLU 23 HG2 GLU 23 15.296 16.123 0.592 196 HG3 GLU 23 HG3 GLU 23 16.080 17.122 1.820 197 H VAL 24 H VAL 24 13.455 17.993 4.628 198 HA VAL 24 HA VAL 24 14.819 20.551 3.890 199 HB VAL 24 HB VAL 24 12.717 20.313 6.076 200 HG11 VAL 24 HG11 VAL 24 14.146 22.722 4.866 201 HG12 VAL 24 HG12 VAL 24 12.831 22.795 6.046 202 HG13 VAL 24 HG13 VAL 24 14.369 22.069 6.500 203 HG21 VAL 24 HG21 VAL 24 11.255 21.708 4.651 204 HG22 VAL 24 HG22 VAL 24 12.427 21.554 3.328 205 HG23 VAL 24 HG23 VAL 24 11.543 20.124 3.930 206 H ARG 25 H ARG 25 16.574 20.991 5.197 207 HA ARG 25 HA ARG 25 16.974 19.435 7.708 208 HB2 ARG 25 HB2 ARG 25 19.319 18.890 6.849 209 HB3 ARG 25 HB3 ARG 25 17.966 17.936 6.237 210 HG2 ARG 25 HG2 ARG 25 17.988 19.175 4.116 211 HG3 ARG 25 HG3 ARG 25 19.188 20.300 4.756 212 HD2 ARG 25 HD2 ARG 25 20.274 18.755 3.259 213 HD3 ARG 25 HD3 ARG 25 20.849 18.490 4.893 214 HE ARG 25 HE ARG 25 18.872 16.740 3.422 215 HH11 ARG 25 HH11 ARG 25 21.290 16.927 6.015 216 HH12 ARG 25 HH12 ARG 25 21.365 15.185 6.102 217 HH21 ARG 25 HH21 ARG 25 18.955 14.700 3.668 218 HH22 ARG 25 HH22 ARG 25 20.026 13.914 4.841 219 H ALA 26 H ALA 26 17.643 20.662 9.296 220 HA ALA 26 HA ALA 26 19.252 23.107 8.791 221 HB1 ALA 26 HB1 ALA 26 18.373 21.824 11.405 222 HB2 ALA 26 HB2 ALA 26 19.165 23.398 11.195 223 HB3 ALA 26 HB3 ALA 26 17.528 23.146 10.565 224 H GLU 27 H GLU 27 21.367 23.202 9.093 225 HA GLU 27 HA GLU 27 22.969 20.810 9.907 226 HB2 GLU 27 HB2 GLU 27 23.379 22.563 7.446 227 HB3 GLU 27 HB3 GLU 27 24.471 21.282 7.965 228 HG2 GLU 27 HG2 GLU 27 21.612 20.892 6.991 229 HG3 GLU 27 HG3 GLU 27 23.084 20.577 6.084 230 H GLY 28 H GLY 28 25.487 21.865 9.613 231 HA2 GLY 28 HA2 GLY 28 25.850 23.007 12.120 232 HA3 GLY 28 HA3 GLY 28 27.073 22.964 10.857 233 H GLY 29 H GLY 29 25.046 24.882 9.307 234 HA2 GLY 29 HA2 GLY 29 24.883 27.279 10.899 235 HA3 GLY 29 HA3 GLY 29 26.205 27.389 9.726 236 H ALA 30 H ALA 30 23.245 25.628 8.927 237 HA ALA 30 HA ALA 30 22.016 27.787 7.420 238 HB1 ALA 30 HB1 ALA 30 23.996 27.255 5.985 239 HB2 ALA 30 HB2 ALA 30 23.492 25.553 5.943 240 HB3 ALA 30 HB3 ALA 30 22.479 26.802 5.188 241 H VAL 31 H VAL 31 20.157 27.045 6.174 242 HA VAL 31 HA VAL 31 19.274 24.238 6.729 243 HB VAL 31 HB VAL 31 17.531 26.651 6.198 244 HG11 VAL 31 HG11 VAL 31 16.583 24.875 4.828 245 HG12 VAL 31 HG12 VAL 31 16.765 23.698 6.155 246 HG13 VAL 31 HG13 VAL 31 15.609 25.028 6.283 247 HG21 VAL 31 HG21 VAL 31 17.392 24.546 8.404 248 HG22 VAL 31 HG22 VAL 31 18.280 26.072 8.557 249 HG23 VAL 31 HG23 VAL 31 16.533 26.105 8.308 250 H ARG 32 H ARG 32 18.901 22.909 5.042 251 HA ARG 32 HA ARG 32 19.128 24.014 2.263 252 HB2 ARG 32 HB2 ARG 32 20.386 21.474 3.365 253 HB3 ARG 32 HB3 ARG 32 20.225 21.826 1.639 254 HG2 ARG 32 HG2 ARG 32 21.637 23.773 1.831 255 HG3 ARG 32 HG3 ARG 32 21.624 23.722 3.586 256 HD2 ARG 32 HD2 ARG 32 23.734 22.913 2.848 257 HD3 ARG 32 HD3 ARG 32 22.828 21.576 3.567 258 HE ARG 32 HE ARG 32 22.270 21.334 0.856 259 HH11 ARG 32 HH11 ARG 32 25.322 21.409 2.610 260 HH12 ARG 32 HH12 ARG 32 26.109 20.449 1.392 261 HH21 ARG 32 HH21 ARG 32 23.273 20.161 -0.553 262 HH22 ARG 32 HH22 ARG 32 24.977 19.726 -0.384 263 H VAL 33 H VAL 33 17.902 23.089 0.693 264 HA VAL 33 HA VAL 33 15.531 21.455 1.533 265 HB VAL 33 HB VAL 33 15.430 24.047 -0.047 266 HG11 VAL 33 HG11 VAL 33 13.222 22.263 1.044 267 HG12 VAL 33 HG12 VAL 33 12.978 23.844 0.256 268 HG13 VAL 33 HG13 VAL 33 13.628 22.494 -0.668 269 HG21 VAL 33 HG21 VAL 33 14.630 23.541 2.829 270 HG22 VAL 33 HG22 VAL 33 15.916 24.625 2.252 271 HG23 VAL 33 HG23 VAL 33 14.242 25.008 1.894 272 H THR 34 H THR 34 15.096 19.842 0.080 273 HA THR 34 HA THR 34 16.196 20.106 -2.701 274 HB THR 34 HB THR 34 16.066 17.610 -0.989 275 HG1 THR 34 HG1 THR 34 18.289 17.758 -1.095 276 HG21 THR 34 HG21 THR 34 17.350 16.583 -2.878 277 HG22 THR 34 HG22 THR 34 15.706 17.020 -3.361 278 HG23 THR 34 HG23 THR 34 17.071 18.041 -3.850 279 H THR 35 H THR 35 14.911 19.735 -4.366 280 HA THR 35 HA THR 35 12.022 19.307 -3.841 281 HB THR 35 HB THR 35 11.629 20.314 -5.971 282 HG1 THR 35 HG1 THR 35 14.423 20.534 -6.248 283 HG21 THR 35 HG21 THR 35 13.759 21.969 -4.569 284 HG22 THR 35 HG22 THR 35 12.497 22.540 -5.683 285 HG23 THR 35 HG23 THR 35 12.046 21.874 -4.104 286 H LEU 36 H LEU 36 10.717 18.273 -5.442 287 HA LEU 36 HA LEU 36 11.137 15.600 -6.042 288 HB2 LEU 36 HB2 LEU 36 9.013 16.775 -5.903 289 HB3 LEU 36 HB3 LEU 36 9.432 17.758 -7.311 290 HG LEU 36 HG LEU 36 9.270 15.811 -8.785 291 HD11 LEU 36 HD11 LEU 36 9.878 13.987 -7.218 292 HD12 LEU 36 HD12 LEU 36 8.399 14.292 -6.281 293 HD13 LEU 36 HD13 LEU 36 8.304 13.690 -7.950 294 HD21 LEU 36 HD21 LEU 36 6.838 15.514 -8.630 295 HD22 LEU 36 HD22 LEU 36 6.848 16.122 -6.959 296 HD23 LEU 36 HD23 LEU 36 7.268 17.196 -8.317 297 H PHE 37 H PHE 37 12.316 18.343 -7.887 298 HA PHE 37 HA PHE 37 12.989 16.619 -10.229 299 HB2 PHE 37 HB2 PHE 37 12.802 19.637 -10.059 300 HB3 PHE 37 HB3 PHE 37 13.057 18.671 -11.508 301 HD1 PHE 37 HD1 PHE 37 11.247 16.921 -12.138 302 HD2 PHE 37 HD2 PHE 37 10.580 20.105 -9.296 303 HE1 PHE 37 HE1 PHE 37 8.803 16.554 -12.304 304 HE2 PHE 37 HE2 PHE 37 8.130 19.734 -9.472 305 HZ PHE 37 HZ PHE 37 7.231 17.945 -10.944 306 H ASP 38 H ASP 38 14.508 16.945 -7.597 307 HA ASP 38 HA ASP 38 16.595 16.927 -6.822 308 HB2 ASP 38 HB2 ASP 38 17.546 16.497 -9.659 309 HB3 ASP 38 HB3 ASP 38 18.410 16.114 -8.173 310 H GLU 39 H GLU 39 15.501 19.575 -8.017 311 HA GLU 39 HA GLU 39 17.984 21.192 -8.047 312 HB2 GLU 39 HB2 GLU 39 15.076 22.059 -7.861 313 HB3 GLU 39 HB3 GLU 39 16.460 23.128 -7.979 314 HG2 GLU 39 HG2 GLU 39 15.528 21.137 -10.091 315 HG3 GLU 39 HG3 GLU 39 15.320 22.885 -10.137 316 H GLU 40 H GLU 40 18.697 22.486 -6.370 317 HA GLU 40 HA GLU 40 17.593 21.930 -3.655 318 HB2 GLU 40 HB2 GLU 40 19.437 20.394 -4.080 319 HB3 GLU 40 HB3 GLU 40 20.488 21.752 -4.521 320 HG2 GLU 40 HG2 GLU 40 20.380 22.640 -2.233 321 HG3 GLU 40 HG3 GLU 40 19.205 21.401 -1.778 322 H HIS 41 H HIS 41 17.752 23.502 -2.173 323 HA HIS 41 HA HIS 41 18.933 26.152 -2.923 324 HB2 HIS 41 HB2 HIS 41 16.376 25.700 -1.344 325 HB3 HIS 41 HB3 HIS 41 17.077 27.245 -1.818 326 HD2 HIS 41 HD2 HIS 41 15.053 24.294 -3.189 327 HE1 HIS 41 HE1 HIS 41 15.110 27.231 -6.287 328 HE2 HIS 41 HE2 HIS 41 14.108 25.005 -5.559 329 H ALA 42 H ALA 42 19.826 27.339 -1.209 330 HA ALA 42 HA ALA 42 20.127 26.025 1.434 331 HB1 ALA 42 HB1 ALA 42 22.022 25.284 0.018 332 HB2 ALA 42 HB2 ALA 42 22.460 26.979 -0.278 333 HB3 ALA 42 HB3 ALA 42 22.552 26.301 1.368 334 H PHE 43 H PHE 43 20.254 27.364 3.115 335 HA PHE 43 HA PHE 43 20.338 30.333 2.702 336 HB2 PHE 43 HB2 PHE 43 18.288 28.770 4.301 337 HB3 PHE 43 HB3 PHE 43 18.415 30.530 4.190 338 HD1 PHE 43 HD1 PHE 43 17.993 31.675 1.963 339 HD2 PHE 43 HD2 PHE 43 17.192 27.478 2.612 340 HE1 PHE 43 HE1 PHE 43 16.595 31.623 -0.088 341 HE2 PHE 43 HE2 PHE 43 15.802 27.439 0.560 342 HZ PHE 43 HZ PHE 43 15.519 29.502 -0.808 343 HA PRO 44 HA PRO 44 23.129 29.389 6.215 344 HB2 PRO 44 HB2 PRO 44 24.608 31.702 6.156 345 HB3 PRO 44 HB3 PRO 44 24.879 30.313 5.051 346 HG2 PRO 44 HG2 PRO 44 23.294 32.841 4.523 347 HG3 PRO 44 HG3 PRO 44 24.531 32.082 3.482 348 HD2 PRO 44 HD2 PRO 44 21.872 31.687 3.085 349 HD3 PRO 44 HD3 PRO 44 23.053 30.359 2.824 350 H GLY 45 H GLY 45 23.043 29.967 8.339 351 HA2 GLY 45 HA2 GLY 45 22.471 31.076 10.272 352 HA3 GLY 45 HA3 GLY 45 22.004 32.480 9.313 353 H LEU 46 H LEU 46 20.343 29.540 8.473 354 HA LEU 46 HA LEU 46 17.965 30.324 10.109 355 HB2 LEU 46 HB2 LEU 46 18.067 28.725 7.529 356 HB3 LEU 46 HB3 LEU 46 16.618 29.060 8.476 357 HG LEU 46 HG LEU 46 18.286 31.052 6.892 358 HD11 LEU 46 HD11 LEU 46 16.579 29.593 5.726 359 HD12 LEU 46 HD12 LEU 46 15.330 30.328 6.736 360 HD13 LEU 46 HD13 LEU 46 16.271 31.331 5.604 361 HD21 LEU 46 HD21 LEU 46 17.597 32.263 8.908 362 HD22 LEU 46 HD22 LEU 46 16.563 32.751 7.569 363 HD23 LEU 46 HD23 LEU 46 15.949 31.608 8.788 364 H ALA 47 H ALA 47 16.605 28.667 10.843 365 HA ALA 47 HA ALA 47 17.517 25.869 10.979 366 HB1 ALA 47 HB1 ALA 47 16.815 27.547 13.441 367 HB2 ALA 47 HB2 ALA 47 17.034 25.778 13.438 368 HB3 ALA 47 HB3 ALA 47 18.406 26.837 13.071 369 H ILE 48 H ILE 48 15.643 24.446 11.737 370 HA ILE 48 HA ILE 48 13.172 25.348 10.414 371 HB ILE 48 HB ILE 48 13.804 22.699 11.747 372 HG12 ILE 48 HG12 ILE 48 13.838 23.411 8.776 373 HG13 ILE 48 HG13 ILE 48 15.271 23.224 9.765 374 HG21 ILE 48 HG21 ILE 48 11.506 23.572 9.931 375 HG22 ILE 48 HG22 ILE 48 11.807 21.896 10.440 376 HG23 ILE 48 HG23 ILE 48 11.380 23.106 11.642 377 HD11 ILE 48 HD11 ILE 48 14.508 20.850 10.283 378 HD12 ILE 48 HD12 ILE 48 13.329 21.053 8.959 379 HD13 ILE 48 HD13 ILE 48 15.072 21.184 8.638 380 H GLY 49 H GLY 49 11.470 26.252 11.407 381 HA2 GLY 49 HA2 GLY 49 11.390 26.429 14.391 382 HA3 GLY 49 HA3 GLY 49 10.571 27.475 13.232 383 H ARG 50 H ARG 50 9.300 25.529 11.602 384 HA ARG 50 HA ARG 50 7.653 23.846 13.414 385 HB2 ARG 50 HB2 ARG 50 6.321 25.701 11.419 386 HB3 ARG 50 HB3 ARG 50 5.546 24.599 12.559 387 HG2 ARG 50 HG2 ARG 50 6.581 26.060 14.425 388 HG3 ARG 50 HG3 ARG 50 6.925 27.241 13.142 389 HD2 ARG 50 HD2 ARG 50 4.256 26.188 14.129 390 HD3 ARG 50 HD3 ARG 50 4.807 27.848 14.148 391 HE ARG 50 HE ARG 50 3.682 26.293 11.868 392 HH11 ARG 50 HH11 ARG 50 5.117 29.410 12.696 393 HH12 ARG 50 HH12 ARG 50 4.488 30.134 11.243 394 HH21 ARG 50 HH21 ARG 50 3.061 27.182 10.140 395 HH22 ARG 50 HH22 ARG 50 3.357 28.880 9.756 396 H VAL 51 H VAL 51 6.630 22.171 12.507 397 HA VAL 51 HA VAL 51 6.713 21.762 9.552 398 HB VAL 51 HB VAL 51 6.998 19.609 11.700 399 HG11 VAL 51 HG11 VAL 51 7.288 18.076 9.745 400 HG12 VAL 51 HG12 VAL 51 5.665 18.760 9.859 401 HG13 VAL 51 HG13 VAL 51 6.824 19.397 8.663 402 HG21 VAL 51 HG21 VAL 51 9.175 19.171 10.695 403 HG22 VAL 51 HG22 VAL 51 8.954 20.536 9.561 404 HG23 VAL 51 HG23 VAL 51 9.116 20.824 11.298 405 H ASP 52 H ASP 52 4.733 22.199 8.951 406 HA ASP 52 HA ASP 52 2.366 21.453 10.612 407 HB2 ASP 52 HB2 ASP 52 2.688 23.616 8.519 408 HB3 ASP 52 HB3 ASP 52 1.172 23.189 9.330 409 H LEU 53 H LEU 53 3.118 19.297 9.684 410 HA LEU 53 HA LEU 53 2.950 18.735 6.900 411 HB2 LEU 53 HB2 LEU 53 4.229 17.500 8.699 412 HB3 LEU 53 HB3 LEU 53 2.709 16.821 9.262 413 HG LEU 53 HG LEU 53 2.416 15.706 7.048 414 HD11 LEU 53 HD11 LEU 53 3.682 17.157 5.548 415 HD12 LEU 53 HD12 LEU 53 5.169 16.891 6.488 416 HD13 LEU 53 HD13 LEU 53 4.454 15.560 5.570 417 HD21 LEU 53 HD21 LEU 53 3.560 14.596 8.972 418 HD22 LEU 53 HD22 LEU 53 4.155 14.036 7.392 419 HD23 LEU 53 HD23 LEU 53 5.118 15.186 8.349 420 H ARG 54 H ARG 54 0.453 18.806 9.329 421 HA ARG 54 HA ARG 54 -1.750 17.578 8.049 422 HB2 ARG 54 HB2 ARG 54 -1.528 18.730 10.364 423 HB3 ARG 54 HB3 ARG 54 -1.855 20.240 9.527 424 HG2 ARG 54 HG2 ARG 54 -4.026 19.305 8.726 425 HG3 ARG 54 HG3 ARG 54 -3.700 17.808 9.603 426 HD2 ARG 54 HD2 ARG 54 -3.944 20.571 10.861 427 HD3 ARG 54 HD3 ARG 54 -5.254 19.407 10.766 428 HE ARG 54 HE ARG 54 -2.776 19.204 12.427 429 HH11 ARG 54 HH11 ARG 54 -6.044 17.973 11.894 430 HH12 ARG 54 HH12 ARG 54 -6.036 17.120 13.405 431 HH21 ARG 54 HH21 ARG 54 -2.832 18.019 14.248 432 HH22 ARG 54 HH22 ARG 54 -4.273 17.128 14.703 433 H SER 55 H SER 55 -0.183 20.636 7.240 434 HA SER 55 HA SER 55 -2.103 21.060 4.967 435 HB2 SER 55 HB2 SER 55 -0.369 23.110 6.404 436 HB3 SER 55 HB3 SER 55 -1.513 23.436 5.091 437 HG SER 55 HG SER 55 -2.426 23.867 7.162 438 H GLY 56 H GLY 56 0.929 19.848 5.514 439 HA2 GLY 56 HA2 GLY 56 2.707 19.378 4.127 440 HA3 GLY 56 HA3 GLY 56 1.801 20.042 2.770 441 H VAL 57 H VAL 57 2.946 21.701 5.774 442 HA VAL 57 HA VAL 57 4.693 23.446 4.097 443 HB VAL 57 HB VAL 57 2.846 24.425 6.293 444 HG11 VAL 57 HG11 VAL 57 4.750 25.944 4.438 445 HG12 VAL 57 HG12 VAL 57 3.537 26.698 5.495 446 HG13 VAL 57 HG13 VAL 57 4.868 25.801 6.214 447 HG21 VAL 57 HG21 VAL 57 1.531 23.921 4.303 448 HG22 VAL 57 HG22 VAL 57 1.684 25.663 4.483 449 HG23 VAL 57 HG23 VAL 57 2.677 24.803 3.280 450 H ILE 58 H ILE 58 6.646 24.060 4.947 451 HA ILE 58 HA ILE 58 7.244 23.473 7.815 452 HB ILE 58 HB ILE 58 9.085 22.977 5.449 453 HG12 ILE 58 HG12 ILE 58 9.076 20.674 6.984 454 HG13 ILE 58 HG13 ILE 58 7.436 21.218 7.235 455 HG21 ILE 58 HG21 ILE 58 10.738 22.221 7.133 456 HG22 ILE 58 HG22 ILE 58 10.393 23.948 7.290 457 HG23 ILE 58 HG23 ILE 58 9.679 22.775 8.433 458 HD11 ILE 58 HD11 ILE 58 8.796 20.713 4.545 459 HD12 ILE 58 HD12 ILE 58 7.582 19.683 5.333 460 HD13 ILE 58 HD13 ILE 58 7.127 21.286 4.731 461 H SER 59 H SER 59 7.995 25.151 8.934 462 HA SER 59 HA SER 59 8.505 27.698 7.448 463 HB2 SER 59 HB2 SER 59 7.523 27.331 10.294 464 HB3 SER 59 HB3 SER 59 7.723 28.860 9.426 465 HG SER 59 HG SER 59 6.085 28.262 8.010 466 H LEU 60 H LEU 60 10.422 28.659 7.628 467 HA LEU 60 HA LEU 60 12.423 27.600 9.582 468 HB2 LEU 60 HB2 LEU 60 12.925 29.390 7.193 469 HB3 LEU 60 HB3 LEU 60 14.107 28.519 8.169 470 HG LEU 60 HG LEU 60 12.063 27.286 6.262 471 HD11 LEU 60 HD11 LEU 60 13.988 28.334 5.180 472 HD12 LEU 60 HD12 LEU 60 15.108 27.432 6.218 473 HD13 LEU 60 HD13 LEU 60 14.091 26.576 5.046 474 HD21 LEU 60 HD21 LEU 60 14.104 25.912 8.066 475 HD22 LEU 60 HD22 LEU 60 12.332 25.745 8.138 476 HD23 LEU 60 HD23 LEU 60 13.211 25.141 6.734 477 H ILE 61 H ILE 61 13.790 28.963 10.729 478 HA ILE 61 HA ILE 61 12.993 31.790 11.192 479 HB ILE 61 HB ILE 61 13.032 31.516 13.587 480 HG12 ILE 61 HG12 ILE 61 12.729 28.722 14.058 481 HG13 ILE 61 HG13 ILE 61 14.154 28.863 13.043 482 HG21 ILE 61 HG21 ILE 61 10.882 31.331 12.435 483 HG22 ILE 61 HG22 ILE 61 11.044 29.557 12.385 484 HG23 ILE 61 HG23 ILE 61 10.924 30.401 13.945 485 HD11 ILE 61 HD11 ILE 61 14.791 29.004 15.395 486 HD12 ILE 61 HD12 ILE 61 15.082 30.567 14.597 487 HD13 ILE 61 HD13 ILE 61 13.661 30.354 15.651 488 H GLU 62 H GLU 62 14.639 33.038 12.374 489 HA GLU 62 HA GLU 62 17.269 32.519 11.289 490 HB2 GLU 62 HB2 GLU 62 16.463 34.624 13.343 491 HB3 GLU 62 HB3 GLU 62 17.905 34.587 12.323 492 HG2 GLU 62 HG2 GLU 62 16.726 36.030 11.082 493 HG3 GLU 62 HG3 GLU 62 16.113 34.557 10.343 494 H GLU 63 H GLU 63 18.955 31.493 12.125 495 HA GLU 63 HA GLU 63 18.749 30.227 14.747 496 HB2 GLU 63 HB2 GLU 63 19.467 29.026 12.750 497 HB3 GLU 63 HB3 GLU 63 20.883 30.042 12.580 498 HG2 GLU 63 HG2 GLU 63 20.456 28.577 15.193 499 HG3 GLU 63 HG3 GLU 63 20.902 27.629 13.775 500 H GLN 64 H GLN 64 19.638 30.853 16.582 501 HA GLN 64 HA GLN 64 22.259 32.153 16.659 502 HB2 GLN 64 HB2 GLN 64 21.669 33.851 18.257 503 HB3 GLN 64 HB3 GLN 64 20.804 34.092 16.753 504 HG2 GLN 64 HG2 GLN 64 19.608 32.900 19.304 505 HG3 GLN 64 HG3 GLN 64 19.448 34.574 18.773 506 HE21 GLN 64 HE21 GLN 64 18.641 34.674 16.254 507 HE22 GLN 64 HE22 GLN 64 17.353 33.523 15.900 508 H ASN 65 H ASN 65 21.483 29.543 17.018 509 HA ASN 65 HA ASN 65 21.476 28.724 19.835 510 HB2 ASN 65 HB2 ASN 65 20.368 27.448 17.991 511 HB3 ASN 65 HB3 ASN 65 21.930 27.212 17.214 512 HD21 ASN 65 HD21 ASN 65 23.313 25.550 18.027 513 HD22 ASN 65 HD22 ASN 65 22.809 24.516 19.373 514 H ARG 66 H ARG 66 23.786 29.206 17.208 515 HA ARG 66 HA ARG 66 26.037 27.891 18.378 516 HB2 ARG 66 HB2 ARG 66 27.246 28.712 16.529 517 HB3 ARG 66 HB3 ARG 66 25.612 28.374 15.966 518 HG2 ARG 66 HG2 ARG 66 25.201 30.955 16.375 519 HG3 ARG 66 HG3 ARG 66 26.961 31.050 16.432 520 HD2 ARG 66 HD2 ARG 66 25.171 30.255 14.120 521 HD3 ARG 66 HD3 ARG 66 26.312 31.588 14.207 522 HE ARG 66 HE ARG 66 28.145 30.073 13.905 523 HH11 ARG 66 HH11 ARG 66 25.022 28.421 13.484 524 HH12 ARG 66 HH12 ARG 66 25.857 26.985 12.903 525 HH21 ARG 66 HH21 ARG 66 28.996 28.198 13.005 526 HH22 ARG 66 HH22 ARG 66 27.898 26.907 12.556 527 H1 GLY -3 H1 GLY -3 -10.000 23.445 -2.820 528 H2 GLY -3 H2 GLY -3 -10.973 22.281 -3.443 529 H3 GLY -3 H3 GLY -3 -10.286 23.398 -4.429 530 HA2 GLY -3 HA2 GLY -3 -9.140 21.287 -4.629 531 HA3 GLY -3 HA3 GLY -3 -8.084 22.552 -3.979 532 HA PRO -2 HA PRO -2 -8.420 18.756 -1.103 533 HB2 PRO -2 HB2 PRO -2 -6.009 17.539 -1.537 534 HB3 PRO -2 HB3 PRO -2 -7.448 17.236 -2.554 535 HG2 PRO -2 HG2 PRO -2 -5.170 19.181 -3.098 536 HG3 PRO -2 HG3 PRO -2 -5.855 17.938 -4.196 537 HD2 PRO -2 HD2 PRO -2 -6.648 20.527 -4.337 538 HD3 PRO -2 HD3 PRO -2 -7.820 19.185 -4.554 539 H GLY -1 H GLY -1 -7.282 18.453 0.884 540 HA2 GLY -1 HA2 GLY -1 -6.180 20.864 2.019 541 HA3 GLY -1 HA3 GLY -1 -6.427 19.313 2.830 542 H SER 0 H SER 0 -4.538 18.439 0.317 543 HA SER 0 HA SER 0 -2.395 17.708 0.144 544 HB2 SER 0 HB2 SER 0 -1.698 20.449 1.255 545 HB3 SER 0 HB3 SER 0 -0.609 19.361 0.378 546 HG SER 0 HG SER 0 -2.995 20.567 -0.607 547 H MET 1 H MET 1 -3.626 16.743 2.444 548 HA MET 1 HA MET 1 -1.969 16.892 4.792 549 HB2 MET 1 HB2 MET 1 -4.016 14.809 3.913 550 HB3 MET 1 HB3 MET 1 -3.230 14.864 5.490 551 HG2 MET 1 HG2 MET 1 -4.171 17.188 5.793 552 HG3 MET 1 HG3 MET 1 -5.112 16.930 4.322 553 HE1 MET 1 HE1 MET 1 -4.241 14.482 7.421 554 HE2 MET 1 HE2 MET 1 -4.567 16.090 8.094 555 HE3 MET 1 HE3 MET 1 -5.697 14.760 8.401 556 H CYS 2 H CYS 2 -0.449 15.614 5.567 557 HA CYS 2 HA CYS 2 0.100 12.935 4.518 558 HB2 CYS 2 HB2 CYS 2 2.242 15.052 4.856 559 HB3 CYS 2 HB3 CYS 2 2.582 13.331 4.716 560 H MET 3 H MET 3 1.616 11.796 6.167 561 HA MET 3 HA MET 3 1.748 13.088 8.793 562 HB2 MET 3 HB2 MET 3 0.790 11.365 10.080 563 HB3 MET 3 HB3 MET 3 -0.382 11.790 8.832 564 HG2 MET 3 HG2 MET 3 0.360 9.804 7.513 565 HG3 MET 3 HG3 MET 3 1.467 9.371 8.830 566 HE1 MET 3 HE1 MET 3 -0.527 7.252 7.723 567 HE2 MET 3 HE2 MET 3 0.552 6.990 9.122 568 HE3 MET 3 HE3 MET 3 -1.176 6.575 9.232 569 H ALA 4 H ALA 4 3.271 12.161 10.223 570 HA ALA 4 HA ALA 4 5.369 10.435 9.002 571 HB1 ALA 4 HB1 ALA 4 7.058 12.153 9.788 572 HB2 ALA 4 HB2 ALA 4 5.997 12.741 8.503 573 HB3 ALA 4 HB3 ALA 4 5.703 13.223 10.192 574 H LYS 5 H LYS 5 7.167 10.075 10.735 575 HA LYS 5 HA LYS 5 6.001 9.976 13.484 576 HB2 LYS 5 HB2 LYS 5 7.391 8.174 14.101 577 HB3 LYS 5 HB3 LYS 5 6.483 7.710 12.658 578 HG2 LYS 5 HG2 LYS 5 8.502 8.023 11.268 579 HG3 LYS 5 HG3 LYS 5 9.404 8.617 12.674 580 HD2 LYS 5 HD2 LYS 5 8.984 6.421 13.816 581 HD3 LYS 5 HD3 LYS 5 8.209 5.837 12.329 582 HE2 LYS 5 HE2 LYS 5 10.292 6.093 11.081 583 HE3 LYS 5 HE3 LYS 5 11.066 6.905 12.442 584 HZ1 LYS 5 HZ1 LYS 5 11.727 4.584 12.392 585 HZ2 LYS 5 HZ2 LYS 5 10.820 4.855 13.735 586 HZ3 LYS 5 HZ3 LYS 5 10.171 4.070 12.447 587 H VAL 6 H VAL 6 7.059 10.802 15.147 588 HA VAL 6 HA VAL 6 9.389 12.591 14.655 589 HB VAL 6 HB VAL 6 7.414 12.261 16.898 590 HG11 VAL 6 HG11 VAL 6 8.705 13.829 18.315 591 HG12 VAL 6 HG12 VAL 6 9.526 12.267 18.160 592 HG13 VAL 6 HG13 VAL 6 10.097 13.671 17.232 593 HG21 VAL 6 HG21 VAL 6 8.633 14.671 15.475 594 HG22 VAL 6 HG22 VAL 6 7.115 13.889 15.002 595 HG23 VAL 6 HG23 VAL 6 7.251 14.688 16.578 596 H VAL 7 H VAL 7 11.401 12.289 15.542 597 HA VAL 7 HA VAL 7 11.850 9.973 17.316 598 HB VAL 7 HB VAL 7 12.389 9.039 15.188 599 HG11 VAL 7 HG11 VAL 7 12.930 11.064 13.878 600 HG12 VAL 7 HG12 VAL 7 14.447 11.241 14.783 601 HG13 VAL 7 HG13 VAL 7 14.185 9.839 13.744 602 HG21 VAL 7 HG21 VAL 7 13.810 8.480 17.169 603 HG22 VAL 7 HG22 VAL 7 14.631 8.271 15.613 604 HG23 VAL 7 HG23 VAL 7 15.002 9.679 16.620 605 H LEU 8 H LEU 8 13.144 10.318 18.942 606 HA LEU 8 HA LEU 8 15.124 12.468 19.018 607 HB2 LEU 8 HB2 LEU 8 14.166 13.624 20.911 608 HB3 LEU 8 HB3 LEU 8 13.000 13.561 19.621 609 HG LEU 8 HG LEU 8 12.175 11.364 21.008 610 HD11 LEU 8 HD11 LEU 8 13.821 11.638 22.852 611 HD12 LEU 8 HD12 LEU 8 13.258 13.305 23.098 612 HD13 LEU 8 HD13 LEU 8 12.181 11.932 23.413 613 HD21 LEU 8 HD21 LEU 8 10.755 13.236 20.324 614 HD22 LEU 8 HD22 LEU 8 10.467 12.812 22.016 615 HD23 LEU 8 HD23 LEU 8 11.428 14.250 21.626 616 H THR 9 H THR 9 16.385 12.360 21.116 617 HA THR 9 HA THR 9 16.308 9.701 22.452 618 HB THR 9 HB THR 9 18.868 10.881 21.329 619 HG1 THR 9 HG1 THR 9 17.615 10.044 19.679 620 HG21 THR 9 HG21 THR 9 18.292 8.167 22.598 621 HG22 THR 9 HG22 THR 9 19.830 8.687 21.890 622 HG23 THR 9 HG23 THR 9 19.238 9.468 23.350 623 H LYS 10 H LYS 10 16.593 9.782 24.556 624 HA LYS 10 HA LYS 10 16.694 12.234 26.052 625 HB2 LYS 10 HB2 LYS 10 17.116 9.347 26.935 626 HB3 LYS 10 HB3 LYS 10 16.829 10.707 28.020 627 HG2 LYS 10 HG2 LYS 10 14.581 11.050 27.035 628 HG3 LYS 10 HG3 LYS 10 14.853 9.712 25.918 629 HD2 LYS 10 HD2 LYS 10 15.250 8.207 27.944 630 HD3 LYS 10 HD3 LYS 10 14.715 9.558 28.955 631 HE2 LYS 10 HE2 LYS 10 12.570 9.598 27.630 632 HE3 LYS 10 HE3 LYS 10 13.156 8.192 26.722 633 HZ1 LYS 10 HZ1 LYS 10 13.183 6.935 28.828 634 HZ2 LYS 10 HZ2 LYS 10 12.658 8.240 29.661 635 HZ3 LYS 10 HZ3 LYS 10 11.688 7.533 28.564 636 H ALA 11 H ALA 11 18.219 12.762 27.755 637 HA ALA 11 HA ALA 11 20.995 12.825 27.050 638 HB1 ALA 11 HB1 ALA 11 21.252 13.736 29.329 639 HB2 ALA 11 HB2 ALA 11 19.863 14.474 28.508 640 HB3 ALA 11 HB3 ALA 11 19.603 13.214 29.741 641 H ASP 12 H ASP 12 19.083 10.477 28.864 642 HA ASP 12 HA ASP 12 21.295 8.916 29.884 643 HB2 ASP 12 HB2 ASP 12 18.324 8.345 29.525 644 HB3 ASP 12 HB3 ASP 12 19.452 7.302 30.381 645 H GLY 13 H GLY 13 20.267 9.303 26.712 646 HA2 GLY 13 HA2 GLY 13 21.003 8.206 24.808 647 HA3 GLY 13 HA3 GLY 13 21.559 6.843 25.782 648 H GLY 14 H GLY 14 18.335 7.609 26.597 649 HA2 GLY 14 HA2 GLY 14 17.268 5.199 25.341 650 HA3 GLY 14 HA3 GLY 14 16.415 6.354 26.368 651 H ARG 15 H ARG 15 16.681 5.176 23.222 652 HA ARG 15 HA ARG 15 15.845 7.585 21.769 653 HB2 ARG 15 HB2 ARG 15 17.205 5.870 20.713 654 HB3 ARG 15 HB3 ARG 15 15.934 4.667 20.935 655 HG2 ARG 15 HG2 ARG 15 14.470 5.809 19.383 656 HG3 ARG 15 HG3 ARG 15 15.552 7.229 19.305 657 HD2 ARG 15 HD2 ARG 15 17.291 5.941 18.263 658 HD3 ARG 15 HD3 ARG 15 16.406 4.424 18.499 659 HE ARG 15 HE ARG 15 14.617 5.726 16.963 660 HH11 ARG 15 HH11 ARG 15 18.066 5.326 16.397 661 HH12 ARG 15 HH12 ARG 15 17.850 5.381 14.671 662 HH21 ARG 15 HH21 ARG 15 14.421 5.697 14.877 663 HH22 ARG 15 HH22 ARG 15 15.812 5.582 13.798 664 H VAL 16 H VAL 16 13.873 8.192 21.127 665 HA VAL 16 HA VAL 16 11.432 6.721 22.022 666 HB VAL 16 HB VAL 16 12.135 9.629 22.527 667 HG11 VAL 16 HG11 VAL 16 9.511 8.175 23.044 668 HG12 VAL 16 HG12 VAL 16 9.929 9.786 23.671 669 HG13 VAL 16 HG13 VAL 16 9.763 9.535 21.930 670 HG21 VAL 16 HG21 VAL 16 11.765 9.068 24.907 671 HG22 VAL 16 HG22 VAL 16 11.546 7.355 24.454 672 HG23 VAL 16 HG23 VAL 16 13.116 8.153 24.216 673 H GLU 17 H GLU 17 9.757 6.794 20.617 674 HA GLU 17 HA GLU 17 9.811 8.703 18.356 675 HB2 GLU 17 HB2 GLU 17 9.507 5.691 17.999 676 HB3 GLU 17 HB3 GLU 17 9.250 6.924 16.748 677 HG2 GLU 17 HG2 GLU 17 11.627 7.666 17.071 678 HG3 GLU 17 HG3 GLU 17 11.876 6.312 18.176 679 H ILE 18 H ILE 18 7.841 9.204 17.453 680 HA ILE 18 HA ILE 18 5.351 8.150 18.748 681 HB ILE 18 HB ILE 18 5.993 11.062 18.164 682 HG12 ILE 18 HG12 ILE 18 5.301 9.905 20.890 683 HG13 ILE 18 HG13 ILE 18 6.965 10.012 20.343 684 HG21 ILE 18 HG21 ILE 18 3.739 11.552 19.102 685 HG22 ILE 18 HG22 ILE 18 3.613 10.563 17.671 686 HG23 ILE 18 HG23 ILE 18 3.431 9.823 19.276 687 HD11 ILE 18 HD11 ILE 18 6.408 11.930 21.708 688 HD12 ILE 18 HD12 ILE 18 6.815 12.424 20.048 689 HD13 ILE 18 HD13 ILE 18 5.128 12.409 20.590 690 H GLY 19 H GLY 19 4.036 7.354 17.207 691 HA2 GLY 19 HA2 GLY 19 4.552 7.884 14.354 692 HA3 GLY 19 HA3 GLY 19 3.460 6.673 15.024 693 H ASP 20 H ASP 20 2.700 8.089 12.874 694 HA ASP 20 HA ASP 20 1.038 9.285 11.944 695 HB2 ASP 20 HB2 ASP 20 -0.497 8.660 14.472 696 HB3 ASP 20 HB3 ASP 20 -1.158 8.983 12.872 697 H VAL 21 H VAL 21 2.891 10.979 13.115 698 HA VAL 21 HA VAL 21 1.616 13.167 14.554 699 HB VAL 21 HB VAL 21 4.350 12.883 13.266 700 HG11 VAL 21 HG11 VAL 21 4.976 14.875 14.609 701 HG12 VAL 21 HG12 VAL 21 3.823 15.276 13.338 702 HG13 VAL 21 HG13 VAL 21 3.275 15.127 15.025 703 HG21 VAL 21 HG21 VAL 21 5.104 12.720 15.625 704 HG22 VAL 21 HG22 VAL 21 3.415 12.823 16.166 705 HG23 VAL 21 HG23 VAL 21 3.971 11.429 15.224 706 H LEU 22 H LEU 22 0.755 14.977 13.806 707 HA LEU 22 HA LEU 22 0.731 15.512 10.856 708 HB2 LEU 22 HB2 LEU 22 -1.332 16.163 12.994 709 HB3 LEU 22 HB3 LEU 22 -1.373 16.769 11.351 710 HG LEU 22 HG LEU 22 -1.664 13.867 12.201 711 HD11 LEU 22 HD11 LEU 22 -3.643 15.308 12.528 712 HD12 LEU 22 HD12 LEU 22 -3.545 15.859 10.848 713 HD13 LEU 22 HD13 LEU 22 -3.924 14.168 11.197 714 HD21 LEU 22 HD21 LEU 22 -2.166 13.439 9.777 715 HD22 LEU 22 HD22 LEU 22 -1.616 15.086 9.400 716 HD23 LEU 22 HD23 LEU 22 -0.487 13.879 10.055 717 H GLU 23 H GLU 23 1.607 16.951 13.971 718 HA GLU 23 HA GLU 23 3.137 18.825 12.402 719 HB2 GLU 23 HB2 GLU 23 2.413 20.877 13.633 720 HB3 GLU 23 HB3 GLU 23 1.267 20.284 12.446 721 HG2 GLU 23 HG2 GLU 23 0.989 19.535 15.387 722 HG3 GLU 23 HG3 GLU 23 0.453 21.104 14.806 723 H VAL 24 H VAL 24 4.750 19.898 13.428 724 HA VAL 24 HA VAL 24 5.443 19.225 16.240 725 HB VAL 24 HB VAL 24 7.355 18.916 13.885 726 HG11 VAL 24 HG11 VAL 24 8.512 19.761 15.915 727 HG12 VAL 24 HG12 VAL 24 7.816 18.441 16.862 728 HG13 VAL 24 HG13 VAL 24 8.970 18.096 15.548 729 HG21 VAL 24 HG21 VAL 24 5.857 17.010 13.985 730 HG22 VAL 24 HG22 VAL 24 7.443 16.528 14.591 731 HG23 VAL 24 HG23 VAL 24 6.119 16.841 15.738 732 H ARG 25 H ARG 25 6.214 21.033 17.292 733 HA ARG 25 HA ARG 25 7.008 23.431 15.662 734 HB2 ARG 25 HB2 ARG 25 4.767 23.363 17.725 735 HB3 ARG 25 HB3 ARG 25 5.420 24.827 16.959 736 HG2 ARG 25 HG2 ARG 25 4.756 23.924 14.729 737 HG3 ARG 25 HG3 ARG 25 4.016 22.525 15.515 738 HD2 ARG 25 HD2 ARG 25 2.428 23.928 16.694 739 HD3 ARG 25 HD3 ARG 25 3.178 25.399 16.048 740 HE ARG 25 HE ARG 25 2.580 23.998 13.751 741 HH11 ARG 25 HH11 ARG 25 0.495 24.914 16.439 742 HH12 ARG 25 HH12 ARG 25 -0.911 24.933 15.404 743 HH21 ARG 25 HH21 ARG 25 0.899 24.072 12.588 744 HH22 ARG 25 HH22 ARG 25 -0.699 24.458 13.222 745 H ALA 26 H ALA 26 8.682 24.476 16.434 746 HA ALA 26 HA ALA 26 9.740 23.893 19.111 747 HB1 ALA 26 HB1 ALA 26 11.234 24.047 17.142 748 HB2 ALA 26 HB2 ALA 26 10.757 25.742 16.927 749 HB3 ALA 26 HB3 ALA 26 11.629 25.241 18.391 750 H GLU 27 H GLU 27 9.980 25.352 20.737 751 HA GLU 27 HA GLU 27 8.719 28.052 20.633 752 HB2 GLU 27 HB2 GLU 27 8.319 25.971 22.843 753 HB3 GLU 27 HB3 GLU 27 7.756 27.651 22.865 754 HG2 GLU 27 HG2 GLU 27 6.454 27.107 20.730 755 HG3 GLU 27 HG3 GLU 27 6.767 25.403 21.096 756 H GLY 28 H GLY 28 9.293 29.013 23.049 757 HA2 GLY 28 HA2 GLY 28 12.133 29.478 23.083 758 HA3 GLY 28 HA3 GLY 28 10.951 30.030 24.267 759 H GLY 29 H GLY 29 12.764 27.147 23.254 760 HA2 GLY 29 HA2 GLY 29 14.359 26.077 24.728 761 HA3 GLY 29 HA3 GLY 29 13.357 26.472 26.110 762 H ALA 30 H ALA 30 11.630 25.169 23.338 763 HA ALA 30 HA ALA 30 11.815 22.380 24.190 764 HB1 ALA 30 HB1 ALA 30 9.451 22.198 24.893 765 HB2 ALA 30 HB2 ALA 30 10.308 23.359 25.926 766 HB3 ALA 30 HB3 ALA 30 9.231 23.948 24.650 767 H VAL 31 H VAL 31 10.410 20.957 22.979 768 HA VAL 31 HA VAL 31 9.167 22.071 20.483 769 HB VAL 31 HB VAL 31 10.793 19.539 20.730 770 HG11 VAL 31 HG11 VAL 31 8.806 18.827 19.505 771 HG12 VAL 31 HG12 VAL 31 8.867 20.292 18.496 772 HG13 VAL 31 HG13 VAL 31 10.127 19.049 18.355 773 HG21 VAL 31 HG21 VAL 31 12.019 20.455 18.850 774 HG22 VAL 31 HG22 VAL 31 10.851 21.781 18.659 775 HG23 VAL 31 HG23 VAL 31 11.898 21.718 20.087 776 H ARG 32 H ARG 32 7.168 21.528 20.058 777 HA ARG 32 HA ARG 32 5.676 19.568 21.764 778 HB2 ARG 32 HB2 ARG 32 4.774 22.036 20.227 779 HB3 ARG 32 HB3 ARG 32 3.657 20.884 20.978 780 HG2 ARG 32 HG2 ARG 32 4.459 21.409 23.210 781 HG3 ARG 32 HG3 ARG 32 5.816 22.343 22.570 782 HD2 ARG 32 HD2 ARG 32 4.181 23.884 23.330 783 HD3 ARG 32 HD3 ARG 32 4.251 23.954 21.561 784 HE ARG 32 HE ARG 32 2.167 22.139 22.468 785 HH11 ARG 32 HH11 ARG 32 2.746 25.610 22.059 786 HH12 ARG 32 HH12 ARG 32 1.023 25.917 21.952 787 HH21 ARG 32 HH21 ARG 32 0.154 22.590 22.331 788 HH22 ARG 32 HH22 ARG 32 -0.455 24.240 22.114 789 H VAL 33 H VAL 33 4.276 18.146 20.802 790 HA VAL 33 HA VAL 33 4.428 17.653 17.850 791 HB VAL 33 HB VAL 33 4.898 15.631 20.081 792 HG11 VAL 33 HG11 VAL 33 5.422 14.028 18.258 793 HG12 VAL 33 HG12 VAL 33 3.732 14.532 18.261 794 HG13 VAL 33 HG13 VAL 33 4.858 15.231 17.078 795 HG21 VAL 33 HG21 VAL 33 6.914 16.984 19.751 796 HG22 VAL 33 HG22 VAL 33 7.157 15.349 19.154 797 HG23 VAL 33 HG23 VAL 33 6.854 16.674 18.001 798 H THR 34 H THR 34 2.440 17.080 16.988 799 HA THR 34 HA THR 34 0.350 15.997 18.821 800 HB THR 34 HB THR 34 -0.109 18.290 16.916 801 HG1 THR 34 HG1 THR 34 0.860 18.906 18.834 802 HG21 THR 34 HG21 THR 34 -2.044 16.804 18.755 803 HG22 THR 34 HG22 THR 34 -2.378 18.365 17.975 804 HG23 THR 34 HG23 THR 34 -2.135 16.919 16.985 805 H THR 35 H THR 35 -0.985 14.484 18.066 806 HA THR 35 HA THR 35 -0.239 13.260 15.483 807 HB THR 35 HB THR 35 -1.073 11.210 16.327 808 HG1 THR 35 HG1 THR 35 -2.100 11.094 18.329 809 HG21 THR 35 HG21 THR 35 1.129 11.921 17.258 810 HG22 THR 35 HG22 THR 35 0.290 12.549 18.693 811 HG23 THR 35 HG23 THR 35 0.231 10.818 18.303 812 H LEU 36 H LEU 36 -1.814 11.958 14.341 813 HA LEU 36 HA LEU 36 -4.079 13.204 13.245 814 HB2 LEU 36 HB2 LEU 36 -2.804 11.402 12.220 815 HB3 LEU 36 HB3 LEU 36 -3.194 10.307 13.549 816 HG LEU 36 HG LEU 36 -5.558 10.253 12.851 817 HD11 LEU 36 HD11 LEU 36 -6.215 11.134 10.644 818 HD12 LEU 36 HD12 LEU 36 -5.754 12.459 11.728 819 HD13 LEU 36 HD13 LEU 36 -4.632 11.918 10.468 820 HD21 LEU 36 HD21 LEU 36 -3.611 9.656 10.588 821 HD22 LEU 36 HD22 LEU 36 -3.911 8.610 11.998 822 HD23 LEU 36 HD23 LEU 36 -5.207 8.918 10.836 823 H PHE 37 H PHE 37 -3.837 11.443 16.248 824 HA PHE 37 HA PHE 37 -6.800 11.405 16.567 825 HB2 PHE 37 HB2 PHE 37 -4.699 9.853 18.097 826 HB3 PHE 37 HB3 PHE 37 -6.447 9.686 18.247 827 HD1 PHE 37 HD1 PHE 37 -3.504 8.603 16.422 828 HD2 PHE 37 HD2 PHE 37 -7.786 9.038 16.120 829 HE1 PHE 37 HE1 PHE 37 -3.527 7.099 14.447 830 HE2 PHE 37 HE2 PHE 37 -7.800 7.562 14.132 831 HZ PHE 37 HZ PHE 37 -5.664 6.597 13.279 832 H ASP 38 H ASP 38 -4.783 13.671 16.978 833 HA ASP 38 HA ASP 38 -4.527 15.485 18.224 834 HB2 ASP 38 HB2 ASP 38 -7.235 14.850 19.424 835 HB3 ASP 38 HB3 ASP 38 -6.434 16.420 19.384 836 H GLU 39 H GLU 39 -3.470 12.975 19.393 837 HA GLU 39 HA GLU 39 -3.265 13.591 22.283 838 HB2 GLU 39 HB2 GLU 39 -1.564 11.750 20.552 839 HB3 GLU 39 HB3 GLU 39 -1.490 11.919 22.306 840 HG2 GLU 39 HG2 GLU 39 -3.920 11.206 22.389 841 HG3 GLU 39 HG3 GLU 39 -3.797 10.788 20.679 842 H GLU 40 H GLU 40 -1.701 14.865 23.192 843 HA GLU 40 HA GLU 40 0.305 16.132 21.382 844 HB2 GLU 40 HB2 GLU 40 -1.408 17.706 22.078 845 HB3 GLU 40 HB3 GLU 40 -1.076 17.345 23.788 846 HG2 GLU 40 HG2 GLU 40 1.149 18.277 23.629 847 HG3 GLU 40 HG3 GLU 40 1.041 18.417 21.873 848 H HIS 41 H HIS 41 2.358 16.211 21.947 849 HA HIS 41 HA HIS 41 3.274 15.262 24.615 850 HB2 HIS 41 HB2 HIS 41 4.591 14.492 21.988 851 HB3 HIS 41 HB3 HIS 41 5.002 13.927 23.594 852 HD2 HIS 41 HD2 HIS 41 2.475 13.400 20.758 853 HE1 HIS 41 HE1 HIS 41 1.702 10.309 23.592 854 HE2 HIS 41 HE2 HIS 41 1.146 11.173 21.264 855 H ALA 42 H ALA 42 5.196 16.278 25.354 856 HA ALA 42 HA ALA 42 6.427 18.345 23.635 857 HB1 ALA 42 HB1 ALA 42 6.181 20.076 25.353 858 HB2 ALA 42 HB2 ALA 42 4.585 19.499 24.822 859 HB3 ALA 42 HB3 ALA 42 5.265 18.955 26.382 860 H PHE 43 H PHE 43 8.503 18.857 24.066 861 HA PHE 43 HA PHE 43 9.951 17.283 26.151 862 HB2 PHE 43 HB2 PHE 43 10.579 17.424 23.188 863 HB3 PHE 43 HB3 PHE 43 11.566 16.633 24.419 864 HD1 PHE 43 HD1 PHE 43 10.726 14.582 25.605 865 HD2 PHE 43 HD2 PHE 43 8.570 16.357 22.309 866 HE1 PHE 43 HE1 PHE 43 9.369 12.525 25.384 867 HE2 PHE 43 HE2 PHE 43 7.208 14.286 22.096 868 HZ PHE 43 HZ PHE 43 7.610 12.370 23.643 869 HA PRO 44 HA PRO 44 11.806 21.439 26.354 870 HB2 PRO 44 HB2 PRO 44 13.101 21.220 28.734 871 HB3 PRO 44 HB3 PRO 44 11.323 21.403 28.613 872 HG2 PRO 44 HG2 PRO 44 12.902 18.838 28.962 873 HG3 PRO 44 HG3 PRO 44 11.474 19.398 29.890 874 HD2 PRO 44 HD2 PRO 44 11.298 17.650 27.790 875 HD3 PRO 44 HD3 PRO 44 10.012 18.861 28.122 876 H GLY 45 H GLY 45 13.801 22.266 25.910 877 HA2 GLY 45 HA2 GLY 45 16.057 22.423 25.506 878 HA3 GLY 45 HA3 GLY 45 16.292 20.825 26.210 879 H LEU 46 H LEU 46 14.030 20.853 23.614 880 HA LEU 46 HA LEU 46 16.083 19.890 21.670 881 HB2 LEU 46 HB2 LEU 46 13.121 19.234 21.793 882 HB3 LEU 46 HB3 LEU 46 14.265 18.647 20.587 883 HG LEU 46 HG LEU 46 14.225 17.960 23.557 884 HD11 LEU 46 HD11 LEU 46 13.868 16.220 21.078 885 HD12 LEU 46 HD12 LEU 46 13.693 15.720 22.781 886 HD13 LEU 46 HD13 LEU 46 12.540 16.857 22.067 887 HD21 LEU 46 HD21 LEU 46 16.569 18.010 22.845 888 HD22 LEU 46 HD22 LEU 46 16.042 16.335 23.003 889 HD23 LEU 46 HD23 LEU 46 16.184 17.069 21.382 890 H ALA 47 H ALA 47 15.702 20.252 19.459 891 HA ALA 47 HA ALA 47 13.831 22.367 18.593 892 HB1 ALA 47 HB1 ALA 47 15.975 23.538 18.932 893 HB2 ALA 47 HB2 ALA 47 16.817 22.317 17.947 894 HB3 ALA 47 HB3 ALA 47 15.622 23.408 17.197 895 H ILE 48 H ILE 48 13.574 22.290 16.145 896 HA ILE 48 HA ILE 48 13.409 19.488 15.267 897 HB ILE 48 HB ILE 48 12.621 22.004 13.769 898 HG12 ILE 48 HG12 ILE 48 10.867 20.122 15.410 899 HG13 ILE 48 HG13 ILE 48 11.364 21.736 15.922 900 HG21 ILE 48 HG21 ILE 48 11.919 19.062 13.324 901 HG22 ILE 48 HG22 ILE 48 11.266 20.420 12.389 902 HG23 ILE 48 HG23 ILE 48 12.976 20.044 12.288 903 HD11 ILE 48 HD11 ILE 48 9.174 22.007 15.120 904 HD12 ILE 48 HD12 ILE 48 10.239 22.697 13.870 905 HD13 ILE 48 HD13 ILE 48 9.489 21.082 13.642 906 H GLY 49 H GLY 49 14.878 18.454 14.054 907 HA2 GLY 49 HA2 GLY 49 17.320 19.916 13.185 908 HA3 GLY 49 HA3 GLY 49 17.135 18.185 13.437 909 H ARG 50 H ARG 50 15.405 17.160 11.879 910 HA ARG 50 HA ARG 50 15.655 18.228 9.116 911 HB2 ARG 50 HB2 ARG 50 16.663 15.438 9.824 912 HB3 ARG 50 HB3 ARG 50 16.592 16.170 8.222 913 HG2 ARG 50 HG2 ARG 50 18.217 17.948 9.067 914 HG3 ARG 50 HG3 ARG 50 18.385 16.993 10.544 915 HD2 ARG 50 HD2 ARG 50 19.140 15.039 9.122 916 HD3 ARG 50 HD3 ARG 50 19.051 16.106 7.714 917 HE ARG 50 HE ARG 50 20.979 17.242 8.397 918 HH11 ARG 50 HH11 ARG 50 20.117 15.006 10.964 919 HH12 ARG 50 HH12 ARG 50 21.646 15.225 11.774 920 HH21 ARG 50 HH21 ARG 50 22.878 17.497 9.493 921 HH22 ARG 50 HH22 ARG 50 23.150 16.592 10.966 922 H VAL 51 H VAL 51 14.289 17.337 7.598 923 HA VAL 51 HA VAL 51 11.897 15.849 8.612 924 HB VAL 51 HB VAL 51 11.869 18.495 7.113 925 HG11 VAL 51 HG11 VAL 51 9.624 16.769 8.243 926 HG12 VAL 51 HG12 VAL 51 9.409 18.413 7.628 927 HG13 VAL 51 HG13 VAL 51 9.927 17.135 6.534 928 HG21 VAL 51 HG21 VAL 51 12.563 18.874 9.455 929 HG22 VAL 51 HG22 VAL 51 10.960 19.500 9.119 930 HG23 VAL 51 HG23 VAL 51 11.142 17.960 10.008 931 H ASP 52 H ASP 52 11.728 14.139 7.328 932 HA ASP 52 HA ASP 52 12.402 14.343 4.418 933 HB2 ASP 52 HB2 ASP 52 12.170 11.902 6.210 934 HB3 ASP 52 HB3 ASP 52 12.600 11.917 4.500 935 H LEU 53 H LEU 53 10.521 15.051 3.451 936 HA LEU 53 HA LEU 53 7.884 13.908 4.011 937 HB2 LEU 53 HB2 LEU 53 8.873 15.333 1.496 938 HB3 LEU 53 HB3 LEU 53 7.227 14.957 1.915 939 HG LEU 53 HG LEU 53 7.469 17.235 2.250 940 HD11 LEU 53 HD11 LEU 53 6.234 16.053 4.036 941 HD12 LEU 53 HD12 LEU 53 7.716 16.049 5.043 942 HD13 LEU 53 HD13 LEU 53 6.936 17.577 4.588 943 HD21 LEU 53 HD21 LEU 53 9.100 18.404 3.497 944 HD22 LEU 53 HD22 LEU 53 9.845 16.920 4.100 945 HD23 LEU 53 HD23 LEU 53 9.951 17.333 2.371 946 H ARG 54 H ARG 54 10.549 13.273 1.824 947 HA ARG 54 HA ARG 54 9.526 11.182 0.213 948 HB2 ARG 54 HB2 ARG 54 11.596 12.471 -0.092 949 HB3 ARG 54 HB3 ARG 54 12.321 11.674 1.304 950 HG2 ARG 54 HG2 ARG 54 12.304 9.519 0.112 951 HG3 ARG 54 HG3 ARG 54 11.358 10.228 -1.218 952 HD2 ARG 54 HD2 ARG 54 13.777 9.998 -1.779 953 HD3 ARG 54 HD3 ARG 54 13.195 11.652 -1.858 954 HE ARG 54 HE ARG 54 14.551 12.277 -0.067 955 HH11 ARG 54 HH11 ARG 54 14.709 8.787 -0.302 956 HH12 ARG 54 HH12 ARG 54 16.080 8.698 0.780 957 HH21 ARG 54 HH21 ARG 54 16.277 12.116 1.259 958 HH22 ARG 54 HH22 ARG 54 16.942 10.535 1.635 959 H SER 55 H SER 55 10.578 10.994 3.575 960 HA SER 55 HA SER 55 10.216 8.005 3.539 961 HB2 SER 55 HB2 SER 55 12.050 9.632 5.328 962 HB3 SER 55 HB3 SER 55 11.855 7.874 5.330 963 HG SER 55 HG SER 55 12.932 9.521 3.263 964 H GLY 56 H GLY 56 8.919 10.874 4.955 965 HA2 GLY 56 HA2 GLY 56 7.177 11.139 6.421 966 HA3 GLY 56 HA3 GLY 56 7.023 9.389 6.573 967 H VAL 57 H VAL 57 9.788 11.582 7.341 968 HA VAL 57 HA VAL 57 9.610 10.778 10.220 969 HB VAL 57 HB VAL 57 12.162 10.667 8.572 970 HG11 VAL 57 HG11 VAL 57 13.144 9.697 10.667 971 HG12 VAL 57 HG12 VAL 57 12.661 11.376 10.868 972 HG13 VAL 57 HG13 VAL 57 11.634 10.079 11.516 973 HG21 VAL 57 HG21 VAL 57 12.129 8.241 9.137 974 HG22 VAL 57 HG22 VAL 57 10.516 8.444 9.850 975 HG23 VAL 57 HG23 VAL 57 10.766 8.706 8.113 976 H ILE 58 H ILE 58 10.021 12.279 11.673 977 HA ILE 58 HA ILE 58 11.276 14.888 10.878 978 HB ILE 58 HB ILE 58 9.033 14.449 12.873 979 HG12 ILE 58 HG12 ILE 58 8.925 16.079 10.313 980 HG13 ILE 58 HG13 ILE 58 8.388 14.406 10.387 981 HG21 ILE 58 HG21 ILE 58 10.528 16.210 13.659 982 HG22 ILE 58 HG22 ILE 58 10.569 16.960 12.047 983 HG23 ILE 58 HG23 ILE 58 9.089 16.986 13.023 984 HD11 ILE 58 HD11 ILE 58 6.761 14.999 12.181 985 HD12 ILE 58 HD12 ILE 58 7.163 16.716 11.910 986 HD13 ILE 58 HD13 ILE 58 6.439 15.758 10.615 987 H SER 59 H SER 59 13.250 14.942 11.737 988 HA SER 59 HA SER 59 13.887 13.380 14.189 989 HB2 SER 59 HB2 SER 59 15.165 12.864 12.178 990 HB3 SER 59 HB3 SER 59 15.695 14.560 12.054 991 HG SER 59 HG SER 59 17.220 13.126 13.124 992 H LEU 60 H LEU 60 14.279 14.327 16.046 993 HA LEU 60 HA LEU 60 14.549 17.293 16.232 994 HB2 LEU 60 HB2 LEU 60 13.675 15.145 18.178 995 HB3 LEU 60 HB3 LEU 60 14.039 16.789 18.676 996 HG LEU 60 HG LEU 60 12.203 17.703 17.425 997 HD11 LEU 60 HD11 LEU 60 10.494 16.202 16.339 998 HD12 LEU 60 HD12 LEU 60 11.999 16.412 15.449 999 HD13 LEU 60 HD13 LEU 60 11.719 14.913 16.353 1000 HD21 LEU 60 HD21 LEU 60 11.351 15.231 18.958 1001 HD22 LEU 60 HD22 LEU 60 11.756 16.818 19.673 1002 HD23 LEU 60 HD23 LEU 60 10.339 16.647 18.630 1003 H ILE 61 H ILE 61 16.104 18.222 17.554 1004 HA ILE 61 HA ILE 61 18.510 16.602 18.294 1005 HB ILE 61 HB ILE 61 19.980 18.237 17.300 1006 HG12 ILE 61 HG12 ILE 61 18.459 19.720 15.449 1007 HG13 ILE 61 HG13 ILE 61 17.518 19.834 16.928 1008 HG21 ILE 61 HG21 ILE 61 19.674 17.676 14.953 1009 HG22 ILE 61 HG22 ILE 61 19.319 16.277 15.986 1010 HG23 ILE 61 HG23 ILE 61 17.988 17.181 15.257 1011 HD11 ILE 61 HD11 ILE 61 19.514 20.656 18.143 1012 HD12 ILE 61 HD12 ILE 61 20.476 20.535 16.647 1013 HD13 ILE 61 HD13 ILE 61 19.109 21.679 16.755 1014 H GLU 62 H GLU 62 20.015 17.726 19.748 1015 HA GLU 62 HA GLU 62 18.541 18.993 21.928 1016 HB2 GLU 62 HB2 GLU 62 21.491 18.321 21.595 1017 HB3 GLU 62 HB3 GLU 62 20.766 18.999 23.055 1018 HG2 GLU 62 HG2 GLU 62 19.220 17.028 23.167 1019 HG3 GLU 62 HG3 GLU 62 20.097 16.296 21.817 1020 H GLU 63 H GLU 63 18.282 21.071 22.300 1021 HA GLU 63 HA GLU 63 19.622 23.144 20.669 1022 HB2 GLU 63 HB2 GLU 63 17.134 22.958 20.958 1023 HB3 GLU 63 HB3 GLU 63 17.338 23.325 22.667 1024 HG2 GLU 63 HG2 GLU 63 18.330 25.521 22.043 1025 HG3 GLU 63 HG3 GLU 63 18.121 25.123 20.334 1026 H GLN 64 H GLN 64 20.819 24.824 21.451 1027 HA GLN 64 HA GLN 64 21.496 24.990 24.352 1028 HB2 GLN 64 HB2 GLN 64 23.387 25.530 22.015 1029 HB3 GLN 64 HB3 GLN 64 23.756 25.689 23.721 1030 HG2 GLN 64 HG2 GLN 64 24.745 23.654 23.139 1031 HG3 GLN 64 HG3 GLN 64 23.273 23.196 23.984 1032 HE21 GLN 64 HE21 GLN 64 23.090 21.134 22.980 1033 HE22 GLN 64 HE22 GLN 64 22.569 21.036 21.295 1034 H ASN 65 H ASN 65 19.861 26.500 22.029 1035 HA ASN 65 HA ASN 65 20.771 29.184 21.960 1036 HB2 ASN 65 HB2 ASN 65 19.215 27.888 20.381 1037 HB3 ASN 65 HB3 ASN 65 17.922 28.155 21.547 1038 HD21 ASN 65 HD21 ASN 65 17.649 28.967 18.945 1039 HD22 ASN 65 HD22 ASN 65 17.707 30.730 18.881 1040 H ARG 66 H ARG 66 18.556 27.611 24.220 1041 HA ARG 66 HA ARG 66 18.049 30.190 25.666 1042 HB2 ARG 66 HB2 ARG 66 16.251 27.755 25.408 1043 HB3 ARG 66 HB3 ARG 66 15.914 29.174 26.388 1044 HG2 ARG 66 HG2 ARG 66 16.125 29.152 23.339 1045 HG3 ARG 66 HG3 ARG 66 14.650 29.160 24.295 1046 HD2 ARG 66 HD2 ARG 66 14.771 31.360 23.773 1047 HD3 ARG 66 HD3 ARG 66 15.582 31.382 25.350 1048 HE ARG 66 HE ARG 66 17.636 31.039 23.507 1049 HH11 ARG 66 HH11 ARG 66 15.317 33.581 24.126 1050 HH12 ARG 66 HH12 ARG 66 16.273 34.766 23.276 1051 HH21 ARG 66 HH21 ARG 66 18.637 32.474 22.235 1052 HH22 ARG 66 HH22 ARG 66 18.167 34.157 22.271 Start of MODEL 3 1 H1 GLY -3 H1 GLY -3 1.565 7.284 -10.227 2 H2 GLY -3 H2 GLY -3 3.020 7.425 -10.960 3 H3 GLY -3 H3 GLY -3 1.707 8.147 -11.619 4 HA2 GLY -3 HA2 GLY -3 3.053 9.811 -10.563 5 HA3 GLY -3 HA3 GLY -3 1.496 9.640 -9.730 6 HA PRO -2 HA PRO -2 5.005 9.502 -6.697 7 HB2 PRO -2 HB2 PRO -2 2.956 11.012 -5.083 8 HB3 PRO -2 HB3 PRO -2 4.726 11.286 -5.217 9 HG2 PRO -2 HG2 PRO -2 3.013 12.882 -6.573 10 HG3 PRO -2 HG3 PRO -2 4.487 12.260 -7.389 11 HD2 PRO -2 HD2 PRO -2 1.650 11.180 -7.538 12 HD3 PRO -2 HD3 PRO -2 2.798 11.525 -8.864 13 H GLY -1 H GLY -1 1.634 8.507 -6.259 14 HA2 GLY -1 HA2 GLY -1 0.692 6.761 -5.086 15 HA3 GLY -1 HA3 GLY -1 2.311 6.068 -4.941 16 H SER 0 H SER 0 2.872 5.706 -2.877 17 HA SER 0 HA SER 0 1.482 6.885 -0.620 18 HB2 SER 0 HB2 SER 0 2.991 5.447 0.699 19 HB3 SER 0 HB3 SER 0 2.187 4.570 -0.613 20 HG SER 0 HG SER 0 4.427 4.075 -0.494 21 H MET 1 H MET 1 4.197 8.032 -2.393 22 HA MET 1 HA MET 1 5.724 9.240 -0.274 23 HB2 MET 1 HB2 MET 1 5.432 9.994 -3.202 24 HB3 MET 1 HB3 MET 1 6.565 10.757 -2.089 25 HG2 MET 1 HG2 MET 1 7.684 8.614 -1.682 26 HG3 MET 1 HG3 MET 1 6.541 7.793 -2.755 27 HE1 MET 1 HE1 MET 1 9.803 10.787 -4.187 28 HE2 MET 1 HE2 MET 1 8.280 11.387 -3.508 29 HE3 MET 1 HE3 MET 1 9.393 10.449 -2.490 30 H CYS 2 H CYS 2 5.919 11.403 0.335 31 HA CYS 2 HA CYS 2 3.663 13.276 -0.165 32 HB2 CYS 2 HB2 CYS 2 3.166 12.275 1.934 33 HB3 CYS 2 HB3 CYS 2 4.817 12.409 2.491 34 H MET 3 H MET 3 4.264 15.499 0.126 35 HA MET 3 HA MET 3 7.101 16.263 0.247 36 HB2 MET 3 HB2 MET 3 7.143 17.351 -1.894 37 HB3 MET 3 HB3 MET 3 6.696 15.675 -2.153 38 HG2 MET 3 HG2 MET 3 4.283 16.399 -2.273 39 HG3 MET 3 HG3 MET 3 4.849 18.079 -2.202 40 HE1 MET 3 HE1 MET 3 3.733 17.814 -5.913 41 HE2 MET 3 HE2 MET 3 2.949 17.070 -4.492 42 HE3 MET 3 HE3 MET 3 3.606 18.714 -4.381 43 H ALA 4 H ALA 4 7.354 18.624 0.362 44 HA ALA 4 HA ALA 4 4.935 20.000 1.460 45 HB1 ALA 4 HB1 ALA 4 6.244 18.994 3.271 46 HB2 ALA 4 HB2 ALA 4 7.696 19.863 2.710 47 HB3 ALA 4 HB3 ALA 4 6.303 20.755 3.345 48 H LYS 5 H LYS 5 5.205 22.289 1.832 49 HA LYS 5 HA LYS 5 7.013 23.710 -0.088 50 HB2 LYS 5 HB2 LYS 5 4.719 24.152 -0.573 51 HB3 LYS 5 HB3 LYS 5 4.342 24.480 1.114 52 HG2 LYS 5 HG2 LYS 5 5.679 26.529 1.090 53 HG3 LYS 5 HG3 LYS 5 6.314 26.138 -0.500 54 HD2 LYS 5 HD2 LYS 5 4.634 27.868 -0.684 55 HD3 LYS 5 HD3 LYS 5 4.056 26.397 -1.484 56 HE2 LYS 5 HE2 LYS 5 2.679 25.848 0.523 57 HE3 LYS 5 HE3 LYS 5 3.285 27.290 1.332 58 HZ1 LYS 5 HZ1 LYS 5 1.123 27.683 0.316 59 HZ2 LYS 5 HZ2 LYS 5 2.234 28.631 -0.417 60 HZ3 LYS 5 HZ3 LYS 5 1.683 27.286 -1.160 61 H VAL 6 H VAL 6 8.772 24.561 0.825 62 HA VAL 6 HA VAL 6 8.883 25.246 3.720 63 HB VAL 6 HB VAL 6 10.938 25.356 1.499 64 HG11 VAL 6 HG11 VAL 6 11.447 27.266 2.928 65 HG12 VAL 6 HG12 VAL 6 11.187 26.278 4.390 66 HG13 VAL 6 HG13 VAL 6 12.560 25.962 3.325 67 HG21 VAL 6 HG21 VAL 6 10.389 23.117 2.543 68 HG22 VAL 6 HG22 VAL 6 12.047 23.654 2.817 69 HG23 VAL 6 HG23 VAL 6 10.851 23.803 4.119 70 H VAL 7 H VAL 7 8.792 27.323 4.517 71 HA VAL 7 HA VAL 7 8.757 29.610 2.635 72 HB VAL 7 HB VAL 7 6.434 28.953 2.880 73 HG11 VAL 7 HG11 VAL 7 6.472 27.978 5.167 74 HG12 VAL 7 HG12 VAL 7 6.684 29.604 5.852 75 HG13 VAL 7 HG13 VAL 7 5.205 29.189 4.966 76 HG21 VAL 7 HG21 VAL 7 7.060 31.348 2.581 77 HG22 VAL 7 HG22 VAL 7 5.511 31.117 3.401 78 HG23 VAL 7 HG23 VAL 7 6.938 31.575 4.344 79 H LEU 8 H LEU 8 9.558 31.448 3.330 80 HA LEU 8 HA LEU 8 10.265 32.011 6.126 81 HB2 LEU 8 HB2 LEU 8 12.643 32.170 5.730 82 HB3 LEU 8 HB3 LEU 8 12.093 30.589 5.246 83 HG LEU 8 HG LEU 8 11.928 31.871 2.823 84 HD11 LEU 8 HD11 LEU 8 12.922 33.981 3.657 85 HD12 LEU 8 HD12 LEU 8 14.332 33.084 4.269 86 HD13 LEU 8 HD13 LEU 8 14.017 33.180 2.526 87 HD21 LEU 8 HD21 LEU 8 13.017 29.735 3.234 88 HD22 LEU 8 HD22 LEU 8 14.038 30.794 2.251 89 HD23 LEU 8 HD23 LEU 8 14.417 30.564 3.964 90 H THR 9 H THR 9 11.165 34.264 6.344 91 HA THR 9 HA THR 9 10.546 36.064 4.056 92 HB THR 9 HB THR 9 9.490 36.551 6.855 93 HG1 THR 9 HG1 THR 9 8.264 35.026 5.772 94 HG21 THR 9 HG21 THR 9 9.148 38.119 4.265 95 HG22 THR 9 HG22 THR 9 8.238 38.407 5.771 96 HG23 THR 9 HG23 THR 9 9.980 38.673 5.741 97 H LYS 10 H LYS 10 11.977 37.566 3.699 98 HA LYS 10 HA LYS 10 14.442 37.739 5.192 99 HB2 LYS 10 HB2 LYS 10 13.279 39.365 2.892 100 HB3 LYS 10 HB3 LYS 10 14.917 39.587 3.519 101 HG2 LYS 10 HG2 LYS 10 15.520 37.289 2.977 102 HG3 LYS 10 HG3 LYS 10 13.900 36.939 2.370 103 HD2 LYS 10 HD2 LYS 10 15.634 39.168 1.233 104 HD3 LYS 10 HD3 LYS 10 15.703 37.499 0.638 105 HE2 LYS 10 HE2 LYS 10 13.249 37.606 0.146 106 HE3 LYS 10 HE3 LYS 10 13.252 39.298 0.665 107 HZ1 LYS 10 HZ1 LYS 10 14.835 39.778 -1.117 108 HZ2 LYS 10 HZ2 LYS 10 14.846 38.218 -1.601 109 HZ3 LYS 10 HZ3 LYS 10 13.488 39.110 -1.750 110 H ALA 11 H ALA 11 15.411 39.670 6.038 111 HA ALA 11 HA ALA 11 13.825 41.201 7.870 112 HB1 ALA 11 HB1 ALA 11 16.216 40.652 8.187 113 HB2 ALA 11 HB2 ALA 11 16.643 41.680 6.796 114 HB3 ALA 11 HB3 ALA 11 15.942 42.397 8.270 115 H ASP 12 H ASP 12 14.702 41.779 4.514 116 HA ASP 12 HA ASP 12 13.875 44.539 4.402 117 HB2 ASP 12 HB2 ASP 12 15.474 43.316 2.848 118 HB3 ASP 12 HB3 ASP 12 14.067 42.515 2.136 119 H GLY 13 H GLY 13 12.033 41.799 4.935 120 HA2 GLY 13 HA2 GLY 13 9.723 41.644 5.161 121 HA3 GLY 13 HA3 GLY 13 9.494 43.070 4.147 122 H GLY 14 H GLY 14 11.628 40.920 2.577 123 HA2 GLY 14 HA2 GLY 14 9.571 40.242 0.584 124 HA3 GLY 14 HA3 GLY 14 11.296 39.938 0.485 125 H ARG 15 H ARG 15 8.294 38.497 0.916 126 HA ARG 15 HA ARG 15 9.097 36.128 2.440 127 HB2 ARG 15 HB2 ARG 15 6.791 37.035 2.399 128 HB3 ARG 15 HB3 ARG 15 6.656 36.584 0.694 129 HG2 ARG 15 HG2 ARG 15 6.908 34.207 1.262 130 HG3 ARG 15 HG3 ARG 15 7.256 34.619 2.953 131 HD2 ARG 15 HD2 ARG 15 4.984 33.839 2.771 132 HD3 ARG 15 HD3 ARG 15 4.978 35.530 3.227 133 HE ARG 15 HE ARG 15 4.266 34.375 0.547 134 HH11 ARG 15 HH11 ARG 15 4.178 37.214 2.621 135 HH12 ARG 15 HH12 ARG 15 3.158 38.088 1.517 136 HH21 ARG 15 HH21 ARG 15 2.973 35.571 -0.805 137 HH22 ARG 15 HH22 ARG 15 2.487 37.178 -0.351 138 H VAL 16 H VAL 16 9.657 34.159 1.722 139 HA VAL 16 HA VAL 16 10.055 33.640 -1.186 140 HB VAL 16 HB VAL 16 12.135 33.270 0.991 141 HG11 VAL 16 HG11 VAL 16 13.635 32.479 -0.839 142 HG12 VAL 16 HG12 VAL 16 12.276 31.382 -0.575 143 HG13 VAL 16 HG13 VAL 16 12.250 32.499 -1.953 144 HG21 VAL 16 HG21 VAL 16 13.545 34.787 -0.368 145 HG22 VAL 16 HG22 VAL 16 12.176 35.050 -1.478 146 HG23 VAL 16 HG23 VAL 16 12.087 35.595 0.206 147 H GLU 17 H GLU 17 9.589 31.571 -1.786 148 HA GLU 17 HA GLU 17 9.359 29.470 0.246 149 HB2 GLU 17 HB2 GLU 17 7.083 28.801 -0.469 150 HB3 GLU 17 HB3 GLU 17 7.166 30.329 0.366 151 HG2 GLU 17 HG2 GLU 17 5.581 30.594 -1.374 152 HG3 GLU 17 HG3 GLU 17 6.987 31.552 -1.816 153 H ILE 18 H ILE 18 9.266 27.350 -0.504 154 HA ILE 18 HA ILE 18 10.074 26.854 -3.334 155 HB ILE 18 HB ILE 18 11.472 25.729 -0.875 156 HG12 ILE 18 HG12 ILE 18 12.716 27.396 -3.089 157 HG13 ILE 18 HG13 ILE 18 12.129 28.111 -1.591 158 HG21 ILE 18 HG21 ILE 18 11.245 24.023 -2.667 159 HG22 ILE 18 HG22 ILE 18 11.942 25.163 -3.839 160 HG23 ILE 18 HG23 ILE 18 12.910 24.515 -2.494 161 HD11 ILE 18 HD11 ILE 18 14.300 25.992 -1.711 162 HD12 ILE 18 HD12 ILE 18 14.525 27.730 -1.476 163 HD13 ILE 18 HD13 ILE 18 13.667 26.776 -0.257 164 H GLY 19 H GLY 19 8.683 25.442 -4.169 165 HA2 GLY 19 HA2 GLY 19 7.006 23.684 -2.472 166 HA3 GLY 19 HA3 GLY 19 6.804 23.999 -4.185 167 H ASP 20 H ASP 20 6.499 21.514 -3.550 168 HA ASP 20 HA ASP 20 7.063 19.376 -3.913 169 HB2 ASP 20 HB2 ASP 20 9.042 20.434 -5.942 170 HB3 ASP 20 HB3 ASP 20 8.257 18.860 -5.932 171 H VAL 21 H VAL 21 8.494 20.509 -1.704 172 HA VAL 21 HA VAL 21 11.260 19.604 -1.758 173 HB VAL 21 HB VAL 21 9.513 20.558 0.549 174 HG11 VAL 21 HG11 VAL 21 12.523 20.139 0.420 175 HG12 VAL 21 HG12 VAL 21 11.624 20.917 1.738 176 HG13 VAL 21 HG13 VAL 21 11.383 19.209 1.418 177 HG21 VAL 21 HG21 VAL 21 10.828 22.656 0.280 178 HG22 VAL 21 HG22 VAL 21 11.631 21.959 -1.143 179 HG23 VAL 21 HG23 VAL 21 9.889 22.293 -1.164 180 H LEU 22 H LEU 22 12.050 17.656 -1.356 181 HA LEU 22 HA LEU 22 10.327 15.591 -0.057 182 HB2 LEU 22 HB2 LEU 22 12.772 15.307 -1.832 183 HB3 LEU 22 HB3 LEU 22 12.020 13.982 -0.951 184 HG LEU 22 HG LEU 22 10.814 15.568 -3.224 185 HD11 LEU 22 HD11 LEU 22 10.753 13.348 -4.296 186 HD12 LEU 22 HD12 LEU 22 12.407 13.719 -3.760 187 HD13 LEU 22 HD13 LEU 22 11.397 12.588 -2.835 188 HD21 LEU 22 HD21 LEU 22 8.976 15.178 -1.688 189 HD22 LEU 22 HD22 LEU 22 8.824 14.065 -3.048 190 HD23 LEU 22 HD23 LEU 22 9.432 13.474 -1.481 191 H GLU 23 H GLU 23 13.190 17.519 0.572 192 HA GLU 23 HA GLU 23 13.057 16.478 3.267 193 HB2 GLU 23 HB2 GLU 23 15.416 15.882 3.518 194 HB3 GLU 23 HB3 GLU 23 14.609 14.833 2.357 195 HG2 GLU 23 HG2 GLU 23 15.655 16.009 0.489 196 HG3 GLU 23 HG3 GLU 23 16.318 17.239 1.580 197 H VAL 24 H VAL 24 14.073 17.693 4.855 198 HA VAL 24 HA VAL 24 15.518 20.144 4.070 199 HB VAL 24 HB VAL 24 14.454 21.561 5.679 200 HG11 VAL 24 HG11 VAL 24 12.262 20.350 3.960 201 HG12 VAL 24 HG12 VAL 24 12.335 21.987 4.631 202 HG13 VAL 24 HG13 VAL 24 13.514 21.490 3.397 203 HG21 VAL 24 HG21 VAL 24 13.688 19.887 7.356 204 HG22 VAL 24 HG22 VAL 24 12.432 21.029 6.899 205 HG23 VAL 24 HG23 VAL 24 12.409 19.380 6.221 206 H ARG 25 H ARG 25 16.982 20.893 5.586 207 HA ARG 25 HA ARG 25 17.552 19.254 8.039 208 HB2 ARG 25 HB2 ARG 25 19.391 19.849 5.685 209 HB3 ARG 25 HB3 ARG 25 20.024 19.514 7.312 210 HG2 ARG 25 HG2 ARG 25 19.130 17.331 7.377 211 HG3 ARG 25 HG3 ARG 25 18.141 17.573 5.921 212 HD2 ARG 25 HD2 ARG 25 21.153 17.843 5.774 213 HD3 ARG 25 HD3 ARG 25 20.403 16.252 5.790 214 HE ARG 25 HE ARG 25 19.273 16.702 3.725 215 HH11 ARG 25 HH11 ARG 25 21.645 19.344 4.318 216 HH12 ARG 25 HH12 ARG 25 21.556 19.687 2.578 217 HH21 ARG 25 HH21 ARG 25 19.354 17.312 1.763 218 HH22 ARG 25 HH22 ARG 25 20.377 18.695 1.263 219 H ALA 26 H ALA 26 17.862 20.484 9.736 220 HA ALA 26 HA ALA 26 18.687 23.347 9.478 221 HB1 ALA 26 HB1 ALA 26 18.063 23.463 11.859 222 HB2 ALA 26 HB2 ALA 26 16.693 22.944 10.853 223 HB3 ALA 26 HB3 ALA 26 17.579 21.755 11.819 224 H GLU 27 H GLU 27 20.818 23.479 9.276 225 HA GLU 27 HA GLU 27 22.632 21.479 10.529 226 HB2 GLU 27 HB2 GLU 27 23.103 23.294 8.143 227 HB3 GLU 27 HB3 GLU 27 24.110 21.950 8.708 228 HG2 GLU 27 HG2 GLU 27 22.148 20.409 8.312 229 HG3 GLU 27 HG3 GLU 27 21.317 21.752 7.520 230 H GLY 28 H GLY 28 25.028 22.732 10.330 231 HA2 GLY 28 HA2 GLY 28 25.171 24.314 12.706 232 HA3 GLY 28 HA3 GLY 28 26.487 23.968 11.584 233 H GLY 29 H GLY 29 23.617 26.032 11.963 234 HA2 GLY 29 HA2 GLY 29 23.683 28.412 12.053 235 HA3 GLY 29 HA3 GLY 29 25.163 28.431 11.102 236 H ALA 30 H ALA 30 22.648 26.354 9.827 237 HA ALA 30 HA ALA 30 21.385 28.362 8.152 238 HB1 ALA 30 HB1 ALA 30 23.579 28.111 6.983 239 HB2 ALA 30 HB2 ALA 30 23.348 26.354 6.924 240 HB3 ALA 30 HB3 ALA 30 22.268 27.422 6.002 241 H VAL 31 H VAL 31 19.660 27.546 6.916 242 HA VAL 31 HA VAL 31 18.885 24.679 7.381 243 HB VAL 31 HB VAL 31 17.184 27.048 6.589 244 HG11 VAL 31 HG11 VAL 31 16.461 24.077 6.652 245 HG12 VAL 31 HG12 VAL 31 15.275 25.394 6.636 246 HG13 VAL 31 HG13 VAL 31 16.349 25.173 5.255 247 HG21 VAL 31 HG21 VAL 31 15.986 26.547 8.635 248 HG22 VAL 31 HG22 VAL 31 16.964 25.081 8.908 249 HG23 VAL 31 HG23 VAL 31 17.709 26.678 9.026 250 H ARG 32 H ARG 32 18.693 23.293 5.737 251 HA ARG 32 HA ARG 32 19.053 24.278 2.948 252 HB2 ARG 32 HB2 ARG 32 20.402 21.865 4.232 253 HB3 ARG 32 HB3 ARG 32 20.222 22.076 2.471 254 HG2 ARG 32 HG2 ARG 32 21.352 24.308 2.685 255 HG3 ARG 32 HG3 ARG 32 21.712 23.959 4.373 256 HD2 ARG 32 HD2 ARG 32 23.103 22.065 3.740 257 HD3 ARG 32 HD3 ARG 32 22.554 22.162 2.067 258 HE ARG 32 HE ARG 32 23.905 24.006 1.650 259 HH11 ARG 32 HH11 ARG 32 24.484 23.016 4.997 260 HH12 ARG 32 HH12 ARG 32 25.781 24.175 5.157 261 HH21 ARG 32 HH21 ARG 32 25.584 25.402 1.970 262 HH22 ARG 32 HH22 ARG 32 26.381 25.447 3.512 263 H VAL 33 H VAL 33 18.053 23.176 1.334 264 HA VAL 33 HA VAL 33 15.615 21.578 2.057 265 HB VAL 33 HB VAL 33 15.725 24.178 0.468 266 HG11 VAL 33 HG11 VAL 33 13.998 22.716 -0.446 267 HG12 VAL 33 HG12 VAL 33 13.354 22.424 1.183 268 HG13 VAL 33 HG13 VAL 33 13.252 24.036 0.447 269 HG21 VAL 33 HG21 VAL 33 14.319 25.151 2.225 270 HG22 VAL 33 HG22 VAL 33 14.500 23.688 3.213 271 HG23 VAL 33 HG23 VAL 33 15.899 24.715 2.831 272 H THR 34 H THR 34 15.219 19.963 0.519 273 HA THR 34 HA THR 34 16.452 20.330 -2.196 274 HB THR 34 HB THR 34 16.556 17.761 -0.620 275 HG1 THR 34 HG1 THR 34 18.013 19.299 0.141 276 HG21 THR 34 HG21 THR 34 16.458 17.296 -3.016 277 HG22 THR 34 HG22 THR 34 17.718 18.517 -3.334 278 HG23 THR 34 HG23 THR 34 18.099 17.035 -2.423 279 H THR 35 H THR 35 15.271 19.889 -3.894 280 HA THR 35 HA THR 35 12.438 19.304 -3.529 281 HB THR 35 HB THR 35 12.169 19.937 -5.806 282 HG1 THR 35 HG1 THR 35 14.018 20.423 -7.071 283 HG21 THR 35 HG21 THR 35 14.292 21.776 -4.623 284 HG22 THR 35 HG22 THR 35 13.055 22.186 -5.827 285 HG23 THR 35 HG23 THR 35 12.567 21.774 -4.178 286 H LEU 36 H LEU 36 11.241 17.991 -5.085 287 HA LEU 36 HA LEU 36 11.732 15.281 -5.398 288 HB2 LEU 36 HB2 LEU 36 9.594 16.400 -5.690 289 HB3 LEU 36 HB3 LEU 36 10.227 17.340 -7.033 290 HG LEU 36 HG LEU 36 10.336 15.312 -8.435 291 HD11 LEU 36 HD11 LEU 36 10.636 13.565 -6.707 292 HD12 LEU 36 HD12 LEU 36 9.023 13.913 -6.054 293 HD13 LEU 36 HD13 LEU 36 9.197 13.247 -7.694 294 HD21 LEU 36 HD21 LEU 36 8.326 16.741 -8.384 295 HD22 LEU 36 HD22 LEU 36 7.919 15.046 -8.707 296 HD23 LEU 36 HD23 LEU 36 7.641 15.733 -7.098 297 H PHE 37 H PHE 37 13.195 17.870 -7.248 298 HA PHE 37 HA PHE 37 14.266 15.943 -9.254 299 HB2 PHE 37 HB2 PHE 37 14.094 18.962 -9.427 300 HB3 PHE 37 HB3 PHE 37 14.582 17.857 -10.707 301 HD1 PHE 37 HD1 PHE 37 12.906 16.081 -11.520 302 HD2 PHE 37 HD2 PHE 37 11.760 19.459 -9.104 303 HE1 PHE 37 HE1 PHE 37 10.523 15.699 -12.108 304 HE2 PHE 37 HE2 PHE 37 9.372 19.079 -9.696 305 HZ PHE 37 HZ PHE 37 8.749 17.181 -11.182 306 H ASP 38 H ASP 38 15.241 16.585 -6.412 307 HA ASP 38 HA ASP 38 17.137 16.657 -5.277 308 HB2 ASP 38 HB2 ASP 38 18.597 15.831 -7.792 309 HB3 ASP 38 HB3 ASP 38 19.139 15.651 -6.124 310 H GLU 39 H GLU 39 16.352 19.187 -6.768 311 HA GLU 39 HA GLU 39 18.909 20.657 -6.939 312 HB2 GLU 39 HB2 GLU 39 16.027 21.644 -7.013 313 HB3 GLU 39 HB3 GLU 39 17.452 22.633 -7.275 314 HG2 GLU 39 HG2 GLU 39 16.506 20.329 -9.023 315 HG3 GLU 39 HG3 GLU 39 16.378 22.040 -9.389 316 H GLU 40 H GLU 40 19.954 21.342 -5.167 317 HA GLU 40 HA GLU 40 18.497 21.555 -2.595 318 HB2 GLU 40 HB2 GLU 40 20.481 20.121 -2.711 319 HB3 GLU 40 HB3 GLU 40 21.479 21.531 -3.106 320 HG2 GLU 40 HG2 GLU 40 21.090 22.521 -0.950 321 HG3 GLU 40 HG3 GLU 40 19.777 21.392 -0.591 322 H HIS 41 H HIS 41 18.314 23.353 -1.427 323 HA HIS 41 HA HIS 41 19.487 25.941 -2.362 324 HB2 HIS 41 HB2 HIS 41 16.775 25.571 -1.052 325 HB3 HIS 41 HB3 HIS 41 17.440 27.052 -1.729 326 HD2 HIS 41 HD2 HIS 41 15.780 23.716 -2.715 327 HE1 HIS 41 HE1 HIS 41 15.879 26.082 -6.257 328 HE2 HIS 41 HE2 HIS 41 15.004 23.933 -5.219 329 H ALA 42 H ALA 42 20.039 27.418 -0.669 330 HA ALA 42 HA ALA 42 20.108 26.331 2.107 331 HB1 ALA 42 HB1 ALA 42 22.210 25.699 0.959 332 HB2 ALA 42 HB2 ALA 42 22.520 27.406 0.602 333 HB3 ALA 42 HB3 ALA 42 22.484 26.837 2.287 334 H PHE 43 H PHE 43 19.954 27.738 3.728 335 HA PHE 43 HA PHE 43 19.892 30.672 3.188 336 HB2 PHE 43 HB2 PHE 43 17.769 29.043 4.608 337 HB3 PHE 43 HB3 PHE 43 17.821 30.805 4.504 338 HD1 PHE 43 HD1 PHE 43 17.453 31.949 2.336 339 HD2 PHE 43 HD2 PHE 43 17.069 27.672 2.732 340 HE1 PHE 43 HE1 PHE 43 16.276 31.849 0.141 341 HE2 PHE 43 HE2 PHE 43 15.929 27.562 0.525 342 HZ PHE 43 HZ PHE 43 15.530 29.658 -0.766 343 HA PRO 44 HA PRO 44 22.365 30.085 6.988 344 HB2 PRO 44 HB2 PRO 44 23.717 32.458 6.987 345 HB3 PRO 44 HB3 PRO 44 24.150 31.088 5.923 346 HG2 PRO 44 HG2 PRO 44 22.436 33.511 5.261 347 HG3 PRO 44 HG3 PRO 44 23.794 32.826 4.308 348 HD2 PRO 44 HD2 PRO 44 21.203 32.259 3.738 349 HD3 PRO 44 HD3 PRO 44 22.476 31.016 3.549 350 H GLY 45 H GLY 45 22.175 30.789 9.086 351 HA2 GLY 45 HA2 GLY 45 21.469 31.977 10.927 352 HA3 GLY 45 HA3 GLY 45 20.905 33.274 9.867 353 H LEU 46 H LEU 46 19.491 30.253 9.049 354 HA LEU 46 HA LEU 46 17.008 30.891 10.593 355 HB2 LEU 46 HB2 LEU 46 17.304 29.287 8.029 356 HB3 LEU 46 HB3 LEU 46 15.805 29.597 8.898 357 HG LEU 46 HG LEU 46 17.516 31.655 7.443 358 HD11 LEU 46 HD11 LEU 46 15.593 31.843 5.983 359 HD12 LEU 46 HD12 LEU 46 16.034 30.131 6.087 360 HD13 LEU 46 HD13 LEU 46 14.638 30.739 7.000 361 HD21 LEU 46 HD21 LEU 46 15.677 33.268 7.961 362 HD22 LEU 46 HD22 LEU 46 14.969 32.082 9.078 363 HD23 LEU 46 HD23 LEU 46 16.579 32.776 9.397 364 H ALA 47 H ALA 47 15.741 29.177 11.328 365 HA ALA 47 HA ALA 47 16.855 26.432 11.478 366 HB1 ALA 47 HB1 ALA 47 17.404 27.466 13.656 367 HB2 ALA 47 HB2 ALA 47 15.705 27.966 13.856 368 HB3 ALA 47 HB3 ALA 47 16.128 26.244 13.848 369 H ILE 48 H ILE 48 15.100 24.831 11.902 370 HA ILE 48 HA ILE 48 12.630 25.529 10.472 371 HB ILE 48 HB ILE 48 13.517 22.947 11.792 372 HG12 ILE 48 HG12 ILE 48 13.240 23.474 8.799 373 HG13 ILE 48 HG13 ILE 48 14.746 23.799 9.655 374 HG21 ILE 48 HG21 ILE 48 11.063 23.564 10.069 375 HG22 ILE 48 HG22 ILE 48 11.604 21.935 10.488 376 HG23 ILE 48 HG23 ILE 48 11.073 23.018 11.763 377 HD11 ILE 48 HD11 ILE 48 13.403 21.074 9.460 378 HD12 ILE 48 HD12 ILE 48 14.886 21.615 8.665 379 HD13 ILE 48 HD13 ILE 48 14.839 21.438 10.434 380 H GLY 49 H GLY 49 10.941 26.441 11.422 381 HA2 GLY 49 HA2 GLY 49 10.673 26.570 14.369 382 HA3 GLY 49 HA3 GLY 49 9.781 27.491 13.155 383 H ARG 50 H ARG 50 8.793 25.464 11.507 384 HA ARG 50 HA ARG 50 7.433 23.467 13.220 385 HB2 ARG 50 HB2 ARG 50 5.822 25.175 11.304 386 HB3 ARG 50 HB3 ARG 50 5.229 23.865 12.322 387 HG2 ARG 50 HG2 ARG 50 5.886 25.313 14.345 388 HG3 ARG 50 HG3 ARG 50 6.072 26.644 13.184 389 HD2 ARG 50 HD2 ARG 50 3.580 25.008 13.799 390 HD3 ARG 50 HD3 ARG 50 3.824 26.722 14.129 391 HE ARG 50 HE ARG 50 3.935 27.016 11.597 392 HH11 ARG 50 HH11 ARG 50 2.059 24.204 12.817 393 HH12 ARG 50 HH12 ARG 50 1.194 24.129 11.302 394 HH21 ARG 50 HH21 ARG 50 2.765 26.724 9.777 395 HH22 ARG 50 HH22 ARG 50 1.521 25.502 9.710 396 H VAL 51 H VAL 51 6.561 21.740 12.189 397 HA VAL 51 HA VAL 51 6.892 21.423 9.233 398 HB VAL 51 HB VAL 51 7.469 19.284 11.327 399 HG11 VAL 51 HG11 VAL 51 8.131 17.870 9.430 400 HG12 VAL 51 HG12 VAL 51 6.439 18.337 9.271 401 HG13 VAL 51 HG13 VAL 51 7.671 19.143 8.278 402 HG21 VAL 51 HG21 VAL 51 9.765 19.316 10.594 403 HG22 VAL 51 HG22 VAL 51 9.406 20.585 9.380 404 HG23 VAL 51 HG23 VAL 51 9.326 20.937 11.110 405 H ASP 52 H ASP 52 4.820 21.323 8.486 406 HA ASP 52 HA ASP 52 2.708 20.068 10.200 407 HB2 ASP 52 HB2 ASP 52 2.787 22.492 10.397 408 HB3 ASP 52 HB3 ASP 52 2.587 22.673 8.658 409 H LEU 53 H LEU 53 2.381 18.210 9.157 410 HA LEU 53 HA LEU 53 2.536 17.949 6.250 411 HB2 LEU 53 HB2 LEU 53 1.733 15.912 8.387 412 HB3 LEU 53 HB3 LEU 53 2.158 15.588 6.722 413 HG LEU 53 HG LEU 53 3.972 14.896 7.926 414 HD11 LEU 53 HD11 LEU 53 4.804 17.680 7.008 415 HD12 LEU 53 HD12 LEU 53 5.847 16.259 7.239 416 HD13 LEU 53 HD13 LEU 53 4.616 16.244 5.970 417 HD21 LEU 53 HD21 LEU 53 5.188 16.066 9.636 418 HD22 LEU 53 HD22 LEU 53 4.194 17.501 9.469 419 HD23 LEU 53 HD23 LEU 53 3.482 15.997 10.088 420 H ARG 54 H ARG 54 0.053 18.373 8.612 421 HA ARG 54 HA ARG 54 -2.292 17.608 7.057 422 HB2 ARG 54 HB2 ARG 54 -2.555 17.744 9.381 423 HB3 ARG 54 HB3 ARG 54 -1.638 19.220 9.514 424 HG2 ARG 54 HG2 ARG 54 -3.678 20.358 8.283 425 HG3 ARG 54 HG3 ARG 54 -4.528 18.862 8.683 426 HD2 ARG 54 HD2 ARG 54 -4.907 20.556 10.426 427 HD3 ARG 54 HD3 ARG 54 -3.929 19.228 11.099 428 HE ARG 54 HE ARG 54 -2.280 21.362 10.002 429 HH11 ARG 54 HH11 ARG 54 -3.983 20.482 12.945 430 HH12 ARG 54 HH12 ARG 54 -2.890 21.419 13.933 431 HH21 ARG 54 HH21 ARG 54 -0.999 22.549 11.293 432 HH22 ARG 54 HH22 ARG 54 -1.223 22.491 13.037 433 H SER 55 H SER 55 -0.563 20.691 7.586 434 HA SER 55 HA SER 55 -2.081 22.137 5.547 435 HB2 SER 55 HB2 SER 55 -1.074 23.207 7.536 436 HB3 SER 55 HB3 SER 55 0.541 22.816 6.921 437 HG SER 55 HG SER 55 -0.265 24.983 6.437 438 H GLY 56 H GLY 56 0.997 20.388 5.620 439 HA2 GLY 56 HA2 GLY 56 2.268 19.542 3.852 440 HA3 GLY 56 HA3 GLY 56 1.321 20.457 2.677 441 H VAL 57 H VAL 57 2.794 21.854 5.617 442 HA VAL 57 HA VAL 57 4.623 23.500 3.939 443 HB VAL 57 HB VAL 57 2.561 24.563 5.895 444 HG11 VAL 57 HG11 VAL 57 3.404 26.823 5.294 445 HG12 VAL 57 HG12 VAL 57 4.605 25.900 6.192 446 HG13 VAL 57 HG13 VAL 57 4.766 26.083 4.422 447 HG21 VAL 57 HG21 VAL 57 1.661 24.113 3.632 448 HG22 VAL 57 HG22 VAL 57 1.771 25.846 3.922 449 HG23 VAL 57 HG23 VAL 57 2.991 25.043 2.912 450 H ILE 58 H ILE 58 6.448 24.256 4.846 451 HA ILE 58 HA ILE 58 7.132 23.463 7.661 452 HB ILE 58 HB ILE 58 8.830 23.350 5.159 453 HG12 ILE 58 HG12 ILE 58 8.143 21.201 7.211 454 HG13 ILE 58 HG13 ILE 58 7.298 21.410 5.689 455 HG21 ILE 58 HG21 ILE 58 9.729 22.968 8.054 456 HG22 ILE 58 HG22 ILE 58 10.739 22.727 6.610 457 HG23 ILE 58 HG23 ILE 58 10.187 24.336 7.020 458 HD11 ILE 58 HD11 ILE 58 8.855 19.641 5.431 459 HD12 ILE 58 HD12 ILE 58 9.437 21.001 4.448 460 HD13 ILE 58 HD13 ILE 58 10.202 20.617 6.023 461 H SER 59 H SER 59 7.144 25.221 8.841 462 HA SER 59 HA SER 59 7.631 27.915 7.707 463 HB2 SER 59 HB2 SER 59 6.946 27.080 10.551 464 HB3 SER 59 HB3 SER 59 6.911 28.719 9.887 465 HG SER 59 HG SER 59 5.182 28.114 8.582 466 H LEU 60 H LEU 60 9.681 28.740 7.676 467 HA LEU 60 HA LEU 60 11.683 27.810 9.687 468 HB2 LEU 60 HB2 LEU 60 12.105 29.628 7.309 469 HB3 LEU 60 HB3 LEU 60 13.340 28.930 8.355 470 HG LEU 60 HG LEU 60 11.562 27.478 6.363 471 HD11 LEU 60 HD11 LEU 60 13.502 28.697 5.452 472 HD12 LEU 60 HD12 LEU 60 14.574 27.845 6.566 473 HD13 LEU 60 HD13 LEU 60 13.715 26.940 5.298 474 HD21 LEU 60 HD21 LEU 60 11.795 25.956 8.259 475 HD22 LEU 60 HD22 LEU 60 12.833 25.420 6.944 476 HD23 LEU 60 HD23 LEU 60 13.549 26.279 8.336 477 H ILE 61 H ILE 61 12.894 29.248 10.924 478 HA ILE 61 HA ILE 61 11.838 31.984 11.402 479 HB ILE 61 HB ILE 61 11.800 31.650 13.799 480 HG12 ILE 61 HG12 ILE 61 11.659 28.890 14.286 481 HG13 ILE 61 HG13 ILE 61 13.038 29.036 13.187 482 HG21 ILE 61 HG21 ILE 61 9.734 31.333 12.484 483 HG22 ILE 61 HG22 ILE 61 10.043 29.597 12.429 484 HG23 ILE 61 HG23 ILE 61 9.741 30.392 13.988 485 HD11 ILE 61 HD11 ILE 61 13.739 29.160 15.518 486 HD12 ILE 61 HD12 ILE 61 14.063 30.692 14.684 487 HD13 ILE 61 HD13 ILE 61 12.674 30.555 15.796 488 H GLU 62 H GLU 62 13.280 33.324 12.697 489 HA GLU 62 HA GLU 62 16.004 33.090 11.762 490 HB2 GLU 62 HB2 GLU 62 14.873 35.078 13.779 491 HB3 GLU 62 HB3 GLU 62 16.384 35.183 12.897 492 HG2 GLU 62 HG2 GLU 62 15.186 36.544 11.559 493 HG3 GLU 62 HG3 GLU 62 14.777 35.037 10.750 494 H GLU 63 H GLU 63 17.675 32.088 12.676 495 HA GLU 63 HA GLU 63 17.534 30.933 15.359 496 HB2 GLU 63 HB2 GLU 63 18.519 29.811 13.341 497 HB3 GLU 63 HB3 GLU 63 19.836 30.992 13.368 498 HG2 GLU 63 HG2 GLU 63 20.513 30.194 15.611 499 HG3 GLU 63 HG3 GLU 63 19.130 29.096 15.655 500 H GLN 64 H GLN 64 18.952 31.356 17.078 501 HA GLN 64 HA GLN 64 20.547 33.845 17.087 502 HB2 GLN 64 HB2 GLN 64 19.488 34.609 19.165 503 HB3 GLN 64 HB3 GLN 64 18.393 34.607 17.805 504 HG2 GLN 64 HG2 GLN 64 18.439 32.374 19.907 505 HG3 GLN 64 HG3 GLN 64 17.433 33.813 20.017 506 HE21 GLN 64 HE21 GLN 64 16.056 34.270 17.901 507 HE22 GLN 64 HE22 GLN 64 15.466 32.850 17.052 508 H ASN 65 H ASN 65 21.388 31.123 17.010 509 HA ASN 65 HA ASN 65 22.391 30.300 19.613 510 HB2 ASN 65 HB2 ASN 65 21.878 28.742 17.717 511 HB3 ASN 65 HB3 ASN 65 23.210 29.456 16.805 512 HD21 ASN 65 HD21 ASN 65 22.454 27.692 19.829 513 HD22 ASN 65 HD22 ASN 65 24.078 27.036 20.020 514 H ARG 66 H ARG 66 23.600 32.389 17.074 515 HA ARG 66 HA ARG 66 26.063 33.065 18.597 516 HB2 ARG 66 HB2 ARG 66 27.490 32.721 16.714 517 HB3 ARG 66 HB3 ARG 66 26.585 31.241 17.037 518 HG2 ARG 66 HG2 ARG 66 25.028 31.789 15.160 519 HG3 ARG 66 HG3 ARG 66 25.980 33.228 14.798 520 HD2 ARG 66 HD2 ARG 66 27.055 30.383 14.771 521 HD3 ARG 66 HD3 ARG 66 26.478 31.260 13.346 522 HE ARG 66 HE ARG 66 28.415 32.904 14.550 523 HH11 ARG 66 HH11 ARG 66 28.392 29.786 12.962 524 HH12 ARG 66 HH12 ARG 66 30.042 29.950 12.419 525 HH21 ARG 66 HH21 ARG 66 30.505 33.052 13.824 526 HH22 ARG 66 HH22 ARG 66 31.203 31.745 12.906 527 H1 GLY -3 H1 GLY -3 -7.388 9.429 0.279 528 H2 GLY -3 H2 GLY -3 -8.278 8.593 -0.820 529 H3 GLY -3 H3 GLY -3 -7.942 10.182 -1.067 530 HA2 GLY -3 HA2 GLY -3 -5.984 7.981 -1.048 531 HA3 GLY -3 HA3 GLY -3 -6.560 8.829 -2.484 532 HA PRO -2 HA PRO -2 -2.543 10.600 -0.886 533 HB2 PRO -2 HB2 PRO -2 -2.078 10.594 -3.875 534 HB3 PRO -2 HB3 PRO -2 -0.895 10.322 -2.555 535 HG2 PRO -2 HG2 PRO -2 -1.937 8.203 -3.871 536 HG3 PRO -2 HG3 PRO -2 -1.848 8.161 -2.072 537 HD2 PRO -2 HD2 PRO -2 -4.230 8.846 -3.831 538 HD3 PRO -2 HD3 PRO -2 -4.152 7.738 -2.424 539 H GLY -1 H GLY -1 -1.857 12.718 -0.816 540 HA2 GLY -1 HA2 GLY -1 -1.787 15.005 -1.190 541 HA3 GLY -1 HA3 GLY -1 -2.801 14.810 -2.613 542 H SER 0 H SER 0 -4.774 13.331 -0.544 543 HA SER 0 HA SER 0 -6.422 15.630 0.098 544 HB2 SER 0 HB2 SER 0 -7.307 13.373 -0.375 545 HB3 SER 0 HB3 SER 0 -6.539 12.758 1.112 546 HG SER 0 HG SER 0 -8.765 13.316 1.373 547 H MET 1 H MET 1 -4.117 13.645 1.899 548 HA MET 1 HA MET 1 -3.546 15.787 3.763 549 HB2 MET 1 HB2 MET 1 -3.964 14.595 5.815 550 HB3 MET 1 HB3 MET 1 -5.476 14.731 4.927 551 HG2 MET 1 HG2 MET 1 -5.352 12.418 4.208 552 HG3 MET 1 HG3 MET 1 -3.726 12.230 4.862 553 HE1 MET 1 HE1 MET 1 -4.139 11.978 8.671 554 HE2 MET 1 HE2 MET 1 -3.067 11.761 7.270 555 HE3 MET 1 HE3 MET 1 -3.622 13.389 7.727 556 H CYS 2 H CYS 2 -1.731 15.116 5.267 557 HA CYS 2 HA CYS 2 -0.238 12.688 4.554 558 HB2 CYS 2 HB2 CYS 2 0.735 14.238 3.019 559 HB3 CYS 2 HB3 CYS 2 0.899 15.477 4.244 560 H MET 3 H MET 3 1.369 12.167 6.183 561 HA MET 3 HA MET 3 1.171 13.484 8.811 562 HB2 MET 3 HB2 MET 3 0.530 11.435 9.986 563 HB3 MET 3 HB3 MET 3 -0.719 11.992 8.889 564 HG2 MET 3 HG2 MET 3 -0.646 9.634 8.772 565 HG3 MET 3 HG3 MET 3 -0.090 10.288 7.241 566 HE1 MET 3 HE1 MET 3 2.564 8.064 10.338 567 HE2 MET 3 HE2 MET 3 1.812 9.622 10.705 568 HE3 MET 3 HE3 MET 3 0.792 8.188 10.430 569 H ALA 4 H ALA 4 2.608 12.354 10.418 570 HA ALA 4 HA ALA 4 5.153 11.469 9.129 571 HB1 ALA 4 HB1 ALA 4 4.648 13.792 11.028 572 HB2 ALA 4 HB2 ALA 4 6.262 13.104 10.767 573 HB3 ALA 4 HB3 ALA 4 5.389 13.803 9.407 574 H LYS 5 H LYS 5 6.779 10.766 10.569 575 HA LYS 5 HA LYS 5 5.929 9.663 13.184 576 HB2 LYS 5 HB2 LYS 5 7.243 7.664 12.887 577 HB3 LYS 5 HB3 LYS 5 5.981 7.776 11.657 578 HG2 LYS 5 HG2 LYS 5 7.752 8.588 10.021 579 HG3 LYS 5 HG3 LYS 5 8.961 8.326 11.293 580 HD2 LYS 5 HD2 LYS 5 9.108 6.357 10.013 581 HD3 LYS 5 HD3 LYS 5 8.142 5.909 11.416 582 HE2 LYS 5 HE2 LYS 5 6.964 4.917 9.666 583 HE3 LYS 5 HE3 LYS 5 6.070 6.414 9.940 584 HZ1 LYS 5 HZ1 LYS 5 6.480 6.039 7.581 585 HZ2 LYS 5 HZ2 LYS 5 7.261 7.390 8.020 586 HZ3 LYS 5 HZ3 LYS 5 8.083 5.993 7.791 587 H VAL 6 H VAL 6 7.145 10.351 14.787 588 HA VAL 6 HA VAL 6 9.581 11.984 14.223 589 HB VAL 6 HB VAL 6 7.741 11.805 16.618 590 HG11 VAL 6 HG11 VAL 6 9.039 13.717 17.563 591 HG12 VAL 6 HG12 VAL 6 9.978 12.231 17.512 592 HG13 VAL 6 HG13 VAL 6 10.251 13.498 16.286 593 HG21 VAL 6 HG21 VAL 6 8.379 14.146 14.780 594 HG22 VAL 6 HG22 VAL 6 6.942 13.128 14.615 595 HG23 VAL 6 HG23 VAL 6 7.181 14.107 16.075 596 H VAL 7 H VAL 7 11.557 11.477 14.992 597 HA VAL 7 HA VAL 7 11.842 9.364 17.065 598 HB VAL 7 HB VAL 7 12.418 8.253 15.011 599 HG11 VAL 7 HG11 VAL 7 14.538 10.407 14.545 600 HG12 VAL 7 HG12 VAL 7 14.334 8.916 13.605 601 HG13 VAL 7 HG13 VAL 7 13.066 10.147 13.572 602 HG21 VAL 7 HG21 VAL 7 15.000 8.893 16.496 603 HG22 VAL 7 HG22 VAL 7 13.747 7.760 17.061 604 HG23 VAL 7 HG23 VAL 7 14.609 7.444 15.549 605 H LEU 8 H LEU 8 13.191 9.797 18.671 606 HA LEU 8 HA LEU 8 15.169 11.972 18.526 607 HB2 LEU 8 HB2 LEU 8 14.279 13.233 20.353 608 HB3 LEU 8 HB3 LEU 8 13.023 13.036 19.155 609 HG LEU 8 HG LEU 8 12.328 10.961 20.715 610 HD11 LEU 8 HD11 LEU 8 13.685 12.923 22.640 611 HD12 LEU 8 HD12 LEU 8 12.527 11.690 23.131 612 HD13 LEU 8 HD13 LEU 8 14.070 11.206 22.435 613 HD21 LEU 8 HD21 LEU 8 10.887 12.841 20.099 614 HD22 LEU 8 HD22 LEU 8 10.703 12.449 21.807 615 HD23 LEU 8 HD23 LEU 8 11.663 13.862 21.329 616 H THR 9 H THR 9 16.635 11.988 20.366 617 HA THR 9 HA THR 9 16.491 9.655 22.183 618 HB THR 9 HB THR 9 19.062 10.411 20.767 619 HG1 THR 9 HG1 THR 9 17.658 9.264 19.432 620 HG21 THR 9 HG21 THR 9 18.438 8.164 22.740 621 HG22 THR 9 HG22 THR 9 19.945 8.339 21.812 622 HG23 THR 9 HG23 THR 9 19.511 9.548 23.033 623 H LYS 10 H LYS 10 16.710 10.222 24.220 624 HA LYS 10 HA LYS 10 17.048 12.959 25.067 625 HB2 LYS 10 HB2 LYS 10 17.121 10.356 26.650 626 HB3 LYS 10 HB3 LYS 10 16.950 11.965 27.360 627 HG2 LYS 10 HG2 LYS 10 14.797 12.277 26.213 628 HG3 LYS 10 HG3 LYS 10 14.950 10.685 25.447 629 HD2 LYS 10 HD2 LYS 10 15.110 9.679 27.786 630 HD3 LYS 10 HD3 LYS 10 14.666 11.285 28.411 631 HE2 LYS 10 HE2 LYS 10 12.597 11.204 26.983 632 HE3 LYS 10 HE3 LYS 10 13.060 9.577 26.468 633 HZ1 LYS 10 HZ1 LYS 10 12.891 8.855 28.787 634 HZ2 LYS 10 HZ2 LYS 10 12.448 10.353 29.266 635 HZ3 LYS 10 HZ3 LYS 10 11.472 9.480 28.288 636 H ALA 11 H ALA 11 18.592 13.731 26.652 637 HA ALA 11 HA ALA 11 21.374 13.301 26.050 638 HB1 ALA 11 HB1 ALA 11 20.446 15.404 26.975 639 HB2 ALA 11 HB2 ALA 11 20.020 14.556 28.484 640 HB3 ALA 11 HB3 ALA 11 21.728 14.754 28.021 641 H ASP 12 H ASP 12 19.172 11.746 28.325 642 HA ASP 12 HA ASP 12 21.184 10.238 29.778 643 HB2 ASP 12 HB2 ASP 12 18.851 10.878 30.542 644 HB3 ASP 12 HB3 ASP 12 18.207 9.662 29.436 645 H GLY 13 H GLY 13 20.245 9.973 26.558 646 HA2 GLY 13 HA2 GLY 13 20.929 8.407 24.986 647 HA3 GLY 13 HA3 GLY 13 21.328 7.253 26.248 648 H GLY 14 H GLY 14 18.157 8.477 26.677 649 HA2 GLY 14 HA2 GLY 14 16.925 5.921 25.948 650 HA3 GLY 14 HA3 GLY 14 16.148 7.337 26.663 651 H ARG 15 H ARG 15 16.445 5.502 23.833 652 HA ARG 15 HA ARG 15 15.678 7.598 21.914 653 HB2 ARG 15 HB2 ARG 15 17.082 5.732 21.227 654 HB3 ARG 15 HB3 ARG 15 15.812 4.574 21.645 655 HG2 ARG 15 HG2 ARG 15 14.372 5.419 19.879 656 HG3 ARG 15 HG3 ARG 15 15.476 6.774 19.540 657 HD2 ARG 15 HD2 ARG 15 17.215 5.264 18.806 658 HD3 ARG 15 HD3 ARG 15 16.262 3.849 19.282 659 HE ARG 15 HE ARG 15 14.544 4.865 17.507 660 HH11 ARG 15 HH11 ARG 15 18.029 4.603 17.062 661 HH12 ARG 15 HH12 ARG 15 17.853 4.390 15.340 662 HH21 ARG 15 HH21 ARG 15 14.400 4.579 15.454 663 HH22 ARG 15 HH22 ARG 15 15.818 4.404 14.415 664 H VAL 16 H VAL 16 13.720 8.121 21.229 665 HA VAL 16 HA VAL 16 11.298 6.612 22.094 666 HB VAL 16 HB VAL 16 11.650 9.615 22.419 667 HG11 VAL 16 HG11 VAL 16 9.257 7.851 23.075 668 HG12 VAL 16 HG12 VAL 16 9.439 9.550 23.516 669 HG13 VAL 16 HG13 VAL 16 9.337 9.110 21.811 670 HG21 VAL 16 HG21 VAL 16 11.310 9.177 24.842 671 HG22 VAL 16 HG22 VAL 16 11.390 7.430 24.528 672 HG23 VAL 16 HG23 VAL 16 12.807 8.467 24.235 673 H GLU 17 H GLU 17 9.592 6.646 20.673 674 HA GLU 17 HA GLU 17 9.804 8.253 18.195 675 HB2 GLU 17 HB2 GLU 17 9.436 5.230 18.274 676 HB3 GLU 17 HB3 GLU 17 9.189 6.244 16.839 677 HG2 GLU 17 HG2 GLU 17 11.546 6.993 16.959 678 HG3 GLU 17 HG3 GLU 17 11.817 5.956 18.360 679 H ILE 18 H ILE 18 7.877 8.749 17.186 680 HA ILE 18 HA ILE 18 5.312 7.977 18.514 681 HB ILE 18 HB ILE 18 6.157 10.836 17.959 682 HG12 ILE 18 HG12 ILE 18 5.733 9.481 20.655 683 HG13 ILE 18 HG13 ILE 18 7.305 9.894 19.971 684 HG21 ILE 18 HG21 ILE 18 4.010 11.480 18.985 685 HG22 ILE 18 HG22 ILE 18 3.743 10.472 17.586 686 HG23 ILE 18 HG23 ILE 18 3.593 9.772 19.218 687 HD11 ILE 18 HD11 ILE 18 6.737 11.547 21.571 688 HD12 ILE 18 HD12 ILE 18 6.684 12.308 19.965 689 HD13 ILE 18 HD13 ILE 18 5.182 11.885 20.820 690 H GLY 19 H GLY 19 3.973 7.265 16.977 691 HA2 GLY 19 HA2 GLY 19 4.249 8.085 14.121 692 HA3 GLY 19 HA3 GLY 19 3.265 6.769 14.746 693 H ASP 20 H ASP 20 1.998 8.106 13.009 694 HA ASP 20 HA ASP 20 0.087 9.235 12.499 695 HB2 ASP 20 HB2 ASP 20 -0.614 8.798 15.406 696 HB3 ASP 20 HB3 ASP 20 -1.731 9.065 14.065 697 H VAL 21 H VAL 21 2.286 10.988 13.149 698 HA VAL 21 HA VAL 21 1.247 13.277 14.666 699 HB VAL 21 HB VAL 21 3.832 12.853 13.131 700 HG11 VAL 21 HG11 VAL 21 3.062 15.116 14.989 701 HG12 VAL 21 HG12 VAL 21 4.692 14.803 14.359 702 HG13 VAL 21 HG13 VAL 21 3.413 15.245 13.243 703 HG21 VAL 21 HG21 VAL 21 4.813 12.690 15.425 704 HG22 VAL 21 HG22 VAL 21 3.179 12.766 16.105 705 HG23 VAL 21 HG23 VAL 21 3.665 11.395 15.083 706 H LEU 22 H LEU 22 0.389 15.134 13.877 707 HA LEU 22 HA LEU 22 0.207 15.504 10.902 708 HB2 LEU 22 HB2 LEU 22 -1.410 16.754 13.162 709 HB3 LEU 22 HB3 LEU 22 -1.516 17.226 11.474 710 HG LEU 22 HG LEU 22 -2.280 14.544 12.657 711 HD11 LEU 22 HD11 LEU 22 -3.909 16.696 11.244 712 HD12 LEU 22 HD12 LEU 22 -4.532 15.175 11.894 713 HD13 LEU 22 HD13 LEU 22 -3.876 16.400 12.996 714 HD21 LEU 22 HD21 LEU 22 -1.385 14.048 10.450 715 HD22 LEU 22 HD22 LEU 22 -3.139 13.997 10.351 716 HD23 LEU 22 HD23 LEU 22 -2.263 15.419 9.727 717 H GLU 23 H GLU 23 1.378 17.090 13.889 718 HA GLU 23 HA GLU 23 3.190 18.553 12.190 719 HB2 GLU 23 HB2 GLU 23 2.733 20.776 12.818 720 HB3 GLU 23 HB3 GLU 23 1.248 20.103 12.178 721 HG2 GLU 23 HG2 GLU 23 0.270 19.936 14.382 722 HG3 GLU 23 HG3 GLU 23 1.815 20.297 15.167 723 H VAL 24 H VAL 24 4.849 19.686 13.209 724 HA VAL 24 HA VAL 24 5.414 19.077 16.059 725 HB VAL 24 HB VAL 24 7.392 18.727 13.761 726 HG11 VAL 24 HG11 VAL 24 7.751 18.245 16.754 727 HG12 VAL 24 HG12 VAL 24 8.927 17.854 15.482 728 HG13 VAL 24 HG13 VAL 24 8.529 19.530 15.806 729 HG21 VAL 24 HG21 VAL 24 7.429 16.335 14.553 730 HG22 VAL 24 HG22 VAL 24 6.027 16.703 15.578 731 HG23 VAL 24 HG23 VAL 24 5.903 16.822 13.804 732 H ARG 25 H ARG 25 6.429 20.747 17.134 733 HA ARG 25 HA ARG 25 7.110 23.241 15.616 734 HB2 ARG 25 HB2 ARG 25 5.563 23.179 18.242 735 HB3 ARG 25 HB3 ARG 25 6.006 24.592 17.286 736 HG2 ARG 25 HG2 ARG 25 4.540 23.661 15.413 737 HG3 ARG 25 HG3 ARG 25 3.967 22.448 16.572 738 HD2 ARG 25 HD2 ARG 25 3.270 24.272 18.119 739 HD3 ARG 25 HD3 ARG 25 3.793 25.473 16.925 740 HE ARG 25 HE ARG 25 2.005 23.757 15.588 741 HH11 ARG 25 HH11 ARG 25 1.776 26.159 18.142 742 HH12 ARG 25 HH12 ARG 25 0.064 26.380 17.875 743 HH21 ARG 25 HH21 ARG 25 -0.167 23.960 15.438 744 HH22 ARG 25 HH22 ARG 25 -0.999 25.206 16.343 745 H ALA 26 H ALA 26 8.887 24.271 16.241 746 HA ALA 26 HA ALA 26 10.421 23.326 18.612 747 HB1 ALA 26 HB1 ALA 26 11.604 23.369 16.453 748 HB2 ALA 26 HB2 ALA 26 11.243 25.099 16.275 749 HB3 ALA 26 HB3 ALA 26 12.291 24.538 17.599 750 H GLU 27 H GLU 27 10.986 24.653 20.251 751 HA GLU 27 HA GLU 27 10.254 27.554 20.235 752 HB2 GLU 27 HB2 GLU 27 9.912 25.624 22.576 753 HB3 GLU 27 HB3 GLU 27 9.754 27.389 22.634 754 HG2 GLU 27 HG2 GLU 27 7.891 27.221 20.921 755 HG3 GLU 27 HG3 GLU 27 7.984 25.465 21.077 756 H GLY 28 H GLY 28 11.521 28.672 22.074 757 HA2 GLY 28 HA2 GLY 28 14.333 28.381 21.590 758 HA3 GLY 28 HA3 GLY 28 13.568 29.494 22.717 759 H GLY 29 H GLY 29 13.603 25.942 22.695 760 HA2 GLY 29 HA2 GLY 29 15.451 25.111 24.402 761 HA3 GLY 29 HA3 GLY 29 14.312 25.807 25.572 762 H ALA 30 H ALA 30 12.653 24.392 22.882 763 HA ALA 30 HA ALA 30 12.544 21.670 23.905 764 HB1 ALA 30 HB1 ALA 30 10.112 23.500 24.246 765 HB2 ALA 30 HB2 ALA 30 10.151 21.761 24.563 766 HB3 ALA 30 HB3 ALA 30 11.118 22.871 25.576 767 H VAL 31 H VAL 31 11.083 20.299 22.702 768 HA VAL 31 HA VAL 31 9.854 21.468 20.231 769 HB VAL 31 HB VAL 31 11.198 18.761 20.450 770 HG11 VAL 31 HG11 VAL 31 10.487 18.462 18.049 771 HG12 VAL 31 HG12 VAL 31 9.150 18.356 19.196 772 HG13 VAL 31 HG13 VAL 31 9.399 19.841 18.242 773 HG21 VAL 31 HG21 VAL 31 12.633 20.733 19.886 774 HG22 VAL 31 HG22 VAL 31 12.521 19.567 18.558 775 HG23 VAL 31 HG23 VAL 31 11.589 21.077 18.498 776 H ARG 32 H ARG 32 7.826 20.843 19.706 777 HA ARG 32 HA ARG 32 6.272 19.116 21.616 778 HB2 ARG 32 HB2 ARG 32 5.485 21.758 20.311 779 HB3 ARG 32 HB3 ARG 32 4.355 20.689 21.145 780 HG2 ARG 32 HG2 ARG 32 5.432 21.008 23.265 781 HG3 ARG 32 HG3 ARG 32 6.836 21.787 22.526 782 HD2 ARG 32 HD2 ARG 32 5.555 23.492 23.535 783 HD3 ARG 32 HD3 ARG 32 5.426 23.661 21.774 784 HE ARG 32 HE ARG 32 3.196 22.114 22.702 785 HH11 ARG 32 HH11 ARG 32 4.302 25.457 22.810 786 HH12 ARG 32 HH12 ARG 32 2.670 26.051 23.042 787 HH21 ARG 32 HH21 ARG 32 1.282 22.872 22.958 788 HH22 ARG 32 HH22 ARG 32 0.946 24.602 23.122 789 H VAL 33 H VAL 33 4.731 17.813 20.726 790 HA VAL 33 HA VAL 33 4.667 17.459 17.734 791 HB VAL 33 HB VAL 33 5.057 15.322 19.858 792 HG11 VAL 33 HG11 VAL 33 3.706 14.422 18.013 793 HG12 VAL 33 HG12 VAL 33 4.867 15.049 16.831 794 HG13 VAL 33 HG13 VAL 33 5.326 13.748 17.957 795 HG21 VAL 33 HG21 VAL 33 6.983 16.248 17.707 796 HG22 VAL 33 HG22 VAL 33 7.163 16.530 19.443 797 HG23 VAL 33 HG23 VAL 33 7.226 14.888 18.811 798 H THR 34 H THR 34 2.634 17.128 16.914 799 HA THR 34 HA THR 34 0.383 16.549 18.816 800 HB THR 34 HB THR 34 0.442 18.490 16.490 801 HG1 THR 34 HG1 THR 34 0.209 20.011 18.121 802 HG21 THR 34 HG21 THR 34 -1.802 17.561 16.677 803 HG22 THR 34 HG22 THR 34 -1.794 17.771 18.437 804 HG23 THR 34 HG23 THR 34 -1.803 19.189 17.357 805 H THR 35 H THR 35 -0.924 14.901 18.327 806 HA THR 35 HA THR 35 -0.486 13.423 15.812 807 HB THR 35 HB THR 35 -1.530 11.574 16.825 808 HG1 THR 35 HG1 THR 35 -2.493 11.745 18.893 809 HG21 THR 35 HG21 THR 35 0.768 12.072 17.678 810 HG22 THR 35 HG22 THR 35 0.045 12.885 19.077 811 HG23 THR 35 HG23 THR 35 -0.240 11.151 18.805 812 H LEU 36 H LEU 36 -2.302 12.363 14.694 813 HA LEU 36 HA LEU 36 -4.414 14.170 13.982 814 HB2 LEU 36 HB2 LEU 36 -5.137 12.468 12.474 815 HB3 LEU 36 HB3 LEU 36 -3.394 12.524 12.470 816 HG LEU 36 HG LEU 36 -3.594 10.513 14.203 817 HD11 LEU 36 HD11 LEU 36 -6.205 10.317 12.628 818 HD12 LEU 36 HD12 LEU 36 -5.477 9.010 13.585 819 HD13 LEU 36 HD13 LEU 36 -6.058 10.460 14.392 820 HD21 LEU 36 HD21 LEU 36 -4.097 10.252 11.200 821 HD22 LEU 36 HD22 LEU 36 -2.515 10.435 11.996 822 HD23 LEU 36 HD23 LEU 36 -3.476 8.969 12.273 823 H PHE 37 H PHE 37 -4.176 12.021 16.628 824 HA PHE 37 HA PHE 37 -7.079 11.902 17.143 825 HB2 PHE 37 HB2 PHE 37 -4.743 10.969 18.824 826 HB3 PHE 37 HB3 PHE 37 -6.437 10.628 19.123 827 HD1 PHE 37 HD1 PHE 37 -7.767 9.255 17.437 828 HD2 PHE 37 HD2 PHE 37 -3.463 9.552 17.352 829 HE1 PHE 37 HE1 PHE 37 -7.642 7.197 16.036 830 HE2 PHE 37 HE2 PHE 37 -3.363 7.501 15.948 831 HZ PHE 37 HZ PHE 37 -5.444 6.325 15.297 832 H ASP 38 H ASP 38 -4.970 14.354 17.284 833 HA ASP 38 HA ASP 38 -4.696 16.266 18.356 834 HB2 ASP 38 HB2 ASP 38 -7.163 16.368 17.930 835 HB3 ASP 38 HB3 ASP 38 -7.437 15.880 19.603 836 H GLU 39 H GLU 39 -3.686 13.866 19.620 837 HA GLU 39 HA GLU 39 -3.455 14.632 22.495 838 HB2 GLU 39 HB2 GLU 39 -2.042 12.413 20.972 839 HB3 GLU 39 HB3 GLU 39 -1.948 12.753 22.700 840 HG2 GLU 39 HG2 GLU 39 -4.461 12.407 22.828 841 HG3 GLU 39 HG3 GLU 39 -4.416 11.833 21.158 842 H GLU 40 H GLU 40 -1.398 15.237 23.380 843 HA GLU 40 HA GLU 40 0.559 16.374 21.429 844 HB2 GLU 40 HB2 GLU 40 -0.916 18.160 22.182 845 HB3 GLU 40 HB3 GLU 40 -0.547 17.785 23.875 846 HG2 GLU 40 HG2 GLU 40 1.797 18.408 23.549 847 HG3 GLU 40 HG3 GLU 40 1.531 18.613 21.812 848 H HIS 41 H HIS 41 2.640 16.220 21.906 849 HA HIS 41 HA HIS 41 3.549 15.165 24.555 850 HB2 HIS 41 HB2 HIS 41 4.793 14.409 21.896 851 HB3 HIS 41 HB3 HIS 41 5.135 13.731 23.470 852 HD2 HIS 41 HD2 HIS 41 2.655 13.490 20.555 853 HE1 HIS 41 HE1 HIS 41 1.490 10.460 23.311 854 HE2 HIS 41 HE2 HIS 41 1.099 11.407 20.987 855 H ALA 42 H ALA 42 5.582 15.981 25.256 856 HA ALA 42 HA ALA 42 6.865 18.101 23.632 857 HB1 ALA 42 HB1 ALA 42 5.125 19.210 24.983 858 HB2 ALA 42 HB2 ALA 42 5.833 18.510 26.465 859 HB3 ALA 42 HB3 ALA 42 6.757 19.685 25.505 860 H PHE 43 H PHE 43 8.964 18.425 23.938 861 HA PHE 43 HA PHE 43 10.491 16.747 25.890 862 HB2 PHE 43 HB2 PHE 43 10.876 16.865 22.888 863 HB3 PHE 43 HB3 PHE 43 11.927 16.029 24.024 864 HD1 PHE 43 HD1 PHE 43 11.089 14.029 25.294 865 HD2 PHE 43 HD2 PHE 43 8.795 15.889 22.149 866 HE1 PHE 43 HE1 PHE 43 9.598 12.036 25.201 867 HE2 PHE 43 HE2 PHE 43 7.301 13.907 22.071 868 HZ PHE 43 HZ PHE 43 7.696 11.977 23.613 869 HA PRO 44 HA PRO 44 12.423 20.877 26.065 870 HB2 PRO 44 HB2 PRO 44 13.532 19.569 28.544 871 HB3 PRO 44 HB3 PRO 44 12.947 21.251 28.321 872 HG2 PRO 44 HG2 PRO 44 11.362 19.427 29.549 873 HG3 PRO 44 HG3 PRO 44 10.659 20.514 28.298 874 HD2 PRO 44 HD2 PRO 44 11.588 17.648 27.966 875 HD3 PRO 44 HD3 PRO 44 10.062 18.423 27.434 876 H GLY 45 H GLY 45 14.493 21.557 25.646 877 HA2 GLY 45 HA2 GLY 45 16.772 21.546 25.307 878 HA3 GLY 45 HA3 GLY 45 16.861 19.872 25.863 879 H LEU 46 H LEU 46 14.559 20.046 23.383 880 HA LEU 46 HA LEU 46 16.527 19.141 21.347 881 HB2 LEU 46 HB2 LEU 46 13.533 18.728 21.477 882 HB3 LEU 46 HB3 LEU 46 14.606 18.078 20.243 883 HG LEU 46 HG LEU 46 14.533 17.286 23.180 884 HD11 LEU 46 HD11 LEU 46 14.078 15.689 20.624 885 HD12 LEU 46 HD12 LEU 46 13.814 15.152 22.306 886 HD13 LEU 46 HD13 LEU 46 12.781 16.402 21.594 887 HD21 LEU 46 HD21 LEU 46 16.235 15.559 22.544 888 HD22 LEU 46 HD22 LEU 46 16.434 16.361 20.972 889 HD23 LEU 46 HD23 LEU 46 16.888 17.201 22.472 890 H ALA 47 H ALA 47 16.128 19.573 19.147 891 HA ALA 47 HA ALA 47 14.350 21.788 18.354 892 HB1 ALA 47 HB1 ALA 47 16.568 22.840 18.611 893 HB2 ALA 47 HB2 ALA 47 17.291 21.593 17.571 894 HB3 ALA 47 HB3 ALA 47 16.120 22.742 16.893 895 H ILE 48 H ILE 48 13.815 21.681 16.060 896 HA ILE 48 HA ILE 48 13.586 18.955 15.006 897 HB ILE 48 HB ILE 48 12.871 21.620 13.742 898 HG12 ILE 48 HG12 ILE 48 10.966 19.576 14.981 899 HG13 ILE 48 HG13 ILE 48 11.587 20.957 15.877 900 HG21 ILE 48 HG21 ILE 48 11.494 20.205 12.190 901 HG22 ILE 48 HG22 ILE 48 13.218 19.900 12.016 902 HG23 ILE 48 HG23 ILE 48 12.204 18.748 12.914 903 HD11 ILE 48 HD11 ILE 48 9.823 21.090 13.413 904 HD12 ILE 48 HD12 ILE 48 9.439 21.571 15.067 905 HD13 ILE 48 HD13 ILE 48 10.629 22.503 14.152 906 H GLY 49 H GLY 49 15.230 17.938 14.008 907 HA2 GLY 49 HA2 GLY 49 17.603 19.478 13.125 908 HA3 GLY 49 HA3 GLY 49 17.493 17.746 13.451 909 H ARG 50 H ARG 50 15.524 16.817 11.856 910 HA ARG 50 HA ARG 50 15.982 17.715 9.058 911 HB2 ARG 50 HB2 ARG 50 17.864 16.235 9.493 912 HB3 ARG 50 HB3 ARG 50 16.804 14.975 10.108 913 HG2 ARG 50 HG2 ARG 50 15.816 14.629 7.912 914 HG3 ARG 50 HG3 ARG 50 16.711 16.011 7.248 915 HD2 ARG 50 HD2 ARG 50 18.832 14.820 7.634 916 HD3 ARG 50 HD3 ARG 50 17.954 13.448 8.346 917 HE ARG 50 HE ARG 50 16.694 13.517 5.993 918 HH11 ARG 50 HH11 ARG 50 20.192 13.717 6.386 919 HH12 ARG 50 HH12 ARG 50 20.437 13.204 4.736 920 HH21 ARG 50 HH21 ARG 50 17.040 12.945 4.091 921 HH22 ARG 50 HH22 ARG 50 18.651 12.872 3.383 922 H VAL 51 H VAL 51 14.483 17.004 7.578 923 HA VAL 51 HA VAL 51 12.417 15.072 8.481 924 HB VAL 51 HB VAL 51 11.609 17.406 6.742 925 HG11 VAL 51 HG11 VAL 51 10.037 15.335 8.327 926 HG12 VAL 51 HG12 VAL 51 9.340 16.691 7.410 927 HG13 VAL 51 HG13 VAL 51 10.214 15.403 6.567 928 HG21 VAL 51 HG21 VAL 51 12.190 18.414 8.904 929 HG22 VAL 51 HG22 VAL 51 10.449 18.373 8.655 930 HG23 VAL 51 HG23 VAL 51 11.226 17.194 9.757 931 H ASP 52 H ASP 52 12.158 13.452 7.073 932 HA ASP 52 HA ASP 52 12.835 13.861 4.172 933 HB2 ASP 52 HB2 ASP 52 12.725 11.248 5.715 934 HB3 ASP 52 HB3 ASP 52 13.006 11.410 3.993 935 H LEU 53 H LEU 53 10.919 14.601 3.367 936 HA LEU 53 HA LEU 53 8.327 13.925 4.433 937 HB2 LEU 53 HB2 LEU 53 9.147 15.210 1.786 938 HB3 LEU 53 HB3 LEU 53 7.501 15.038 2.325 939 HG LEU 53 HG LEU 53 8.119 17.259 2.638 940 HD11 LEU 53 HD11 LEU 53 6.658 16.260 4.351 941 HD12 LEU 53 HD12 LEU 53 8.076 15.954 5.378 942 HD13 LEU 53 HD13 LEU 53 7.614 17.614 4.983 943 HD21 LEU 53 HD21 LEU 53 10.566 17.087 2.795 944 HD22 LEU 53 HD22 LEU 53 9.878 18.103 4.048 945 HD23 LEU 53 HD23 LEU 53 10.417 16.472 4.456 946 H ARG 54 H ARG 54 10.334 12.376 2.080 947 HA ARG 54 HA ARG 54 8.518 10.977 0.462 948 HB2 ARG 54 HB2 ARG 54 11.167 9.873 1.498 949 HB3 ARG 54 HB3 ARG 54 10.308 9.435 0.010 950 HG2 ARG 54 HG2 ARG 54 10.660 11.763 -0.830 951 HG3 ARG 54 HG3 ARG 54 11.599 12.118 0.622 952 HD2 ARG 54 HD2 ARG 54 13.163 11.660 -1.068 953 HD3 ARG 54 HD3 ARG 54 13.181 10.257 0.013 954 HE ARG 54 HE ARG 54 11.514 9.273 -1.766 955 HH11 ARG 54 HH11 ARG 54 14.372 11.151 -2.556 956 HH12 ARG 54 HH12 ARG 54 14.520 10.409 -4.126 957 HH21 ARG 54 HH21 ARG 54 11.792 8.354 -3.757 958 HH22 ARG 54 HH22 ARG 54 13.120 8.858 -4.766 959 H SER 55 H SER 55 9.428 10.262 3.765 960 HA SER 55 HA SER 55 7.268 8.202 3.950 961 HB2 SER 55 HB2 SER 55 9.545 7.155 3.773 962 HB3 SER 55 HB3 SER 55 9.998 7.974 5.275 963 HG SER 55 HG SER 55 8.102 5.910 4.819 964 H GLY 56 H GLY 56 7.879 11.210 4.789 965 HA2 GLY 56 HA2 GLY 56 7.264 12.636 6.462 966 HA3 GLY 56 HA3 GLY 56 6.213 11.352 7.072 967 H VAL 57 H VAL 57 9.783 11.048 6.922 968 HA VAL 57 HA VAL 57 9.748 10.398 9.824 969 HB VAL 57 HB VAL 57 11.984 10.245 7.774 970 HG11 VAL 57 HG11 VAL 57 11.926 9.348 10.696 971 HG12 VAL 57 HG12 VAL 57 13.193 8.942 9.518 972 HG13 VAL 57 HG13 VAL 57 12.965 10.619 10.004 973 HG21 VAL 57 HG21 VAL 57 10.171 8.568 7.483 974 HG22 VAL 57 HG22 VAL 57 11.679 7.814 8.011 975 HG23 VAL 57 HG23 VAL 57 10.361 8.074 9.170 976 H ILE 58 H ILE 58 10.006 11.914 11.303 977 HA ILE 58 HA ILE 58 11.606 14.384 10.736 978 HB ILE 58 HB ILE 58 9.413 13.821 12.743 979 HG12 ILE 58 HG12 ILE 58 9.540 15.823 10.461 980 HG13 ILE 58 HG13 ILE 58 8.697 14.269 10.383 981 HG21 ILE 58 HG21 ILE 58 11.135 15.249 13.822 982 HG22 ILE 58 HG22 ILE 58 11.116 16.334 12.410 983 HG23 ILE 58 HG23 ILE 58 9.705 16.187 13.481 984 HD11 ILE 58 HD11 ILE 58 7.070 15.956 10.805 985 HD12 ILE 58 HD12 ILE 58 7.257 15.046 12.315 986 HD13 ILE 58 HD13 ILE 58 7.998 16.667 12.106 987 H SER 59 H SER 59 13.570 14.454 11.609 988 HA SER 59 HA SER 59 14.229 12.736 13.979 989 HB2 SER 59 HB2 SER 59 15.541 12.272 11.947 990 HB3 SER 59 HB3 SER 59 16.071 13.963 11.907 991 HG SER 59 HG SER 59 17.578 12.548 12.947 992 H LEU 60 H LEU 60 14.447 13.732 15.849 993 HA LEU 60 HA LEU 60 14.925 16.681 15.983 994 HB2 LEU 60 HB2 LEU 60 14.155 14.804 18.223 995 HB3 LEU 60 HB3 LEU 60 14.197 16.560 18.258 996 HG LEU 60 HG LEU 60 12.245 14.816 16.695 997 HD11 LEU 60 HD11 LEU 60 10.574 15.862 18.203 998 HD12 LEU 60 HD12 LEU 60 11.813 14.982 19.110 999 HD13 LEU 60 HD13 LEU 60 11.881 16.750 19.029 1000 HD21 LEU 60 HD21 LEU 60 12.656 16.811 15.348 1001 HD22 LEU 60 HD22 LEU 60 11.086 16.945 16.125 1002 HD23 LEU 60 HD23 LEU 60 12.470 17.856 16.777 1003 H ILE 61 H ILE 61 16.545 17.557 17.200 1004 HA ILE 61 HA ILE 61 18.827 15.818 18.010 1005 HB ILE 61 HB ILE 61 20.403 17.344 16.995 1006 HG12 ILE 61 HG12 ILE 61 19.111 18.874 15.091 1007 HG13 ILE 61 HG13 ILE 61 18.007 19.020 16.455 1008 HG21 ILE 61 HG21 ILE 61 18.375 16.321 14.973 1009 HG22 ILE 61 HG22 ILE 61 20.070 16.721 14.643 1010 HG23 ILE 61 HG23 ILE 61 19.673 15.386 15.732 1011 HD11 ILE 61 HD11 ILE 61 19.799 19.891 17.862 1012 HD12 ILE 61 HD12 ILE 61 20.988 19.638 16.564 1013 HD13 ILE 61 HD13 ILE 61 19.689 20.829 16.359 1014 H GLU 62 H GLU 62 20.369 16.896 19.424 1015 HA GLU 62 HA GLU 62 18.996 18.287 21.604 1016 HB2 GLU 62 HB2 GLU 62 21.923 17.567 21.200 1017 HB3 GLU 62 HB3 GLU 62 21.239 18.261 22.681 1018 HG2 GLU 62 HG2 GLU 62 19.781 16.282 22.954 1019 HG3 GLU 62 HG3 GLU 62 20.408 15.589 21.459 1020 H GLU 63 H GLU 63 18.698 20.406 21.787 1021 HA GLU 63 HA GLU 63 19.799 22.300 19.898 1022 HB2 GLU 63 HB2 GLU 63 17.524 22.316 20.797 1023 HB3 GLU 63 HB3 GLU 63 18.121 22.752 22.388 1024 HG2 GLU 63 HG2 GLU 63 18.969 24.523 20.113 1025 HG3 GLU 63 HG3 GLU 63 17.240 24.480 20.443 1026 H GLN 64 H GLN 64 21.278 23.935 20.153 1027 HA GLN 64 HA GLN 64 23.320 23.341 22.224 1028 HB2 GLN 64 HB2 GLN 64 23.537 24.499 19.428 1029 HB3 GLN 64 HB3 GLN 64 24.907 24.184 20.496 1030 HG2 GLN 64 HG2 GLN 64 23.017 22.075 19.357 1031 HG3 GLN 64 HG3 GLN 64 24.670 22.386 18.842 1032 HE21 GLN 64 HE21 GLN 64 23.021 20.130 20.490 1033 HE22 GLN 64 HE22 GLN 64 24.259 19.664 21.655 1034 H ASN 65 H ASN 65 21.063 25.498 22.394 1035 HA ASN 65 HA ASN 65 22.773 27.899 22.843 1036 HB2 ASN 65 HB2 ASN 65 20.671 27.735 21.184 1037 HB3 ASN 65 HB3 ASN 65 19.760 28.019 22.657 1038 HD21 ASN 65 HD21 ASN 65 19.391 29.882 20.841 1039 HD22 ASN 65 HD22 ASN 65 20.414 31.305 21.072 1040 H ARG 66 H ARG 66 21.848 25.441 24.646 1041 HA ARG 66 HA ARG 66 20.471 26.541 26.932 1042 HB2 ARG 66 HB2 ARG 66 22.326 24.137 26.757 1043 HB3 ARG 66 HB3 ARG 66 21.214 24.500 28.075 1044 HG2 ARG 66 HG2 ARG 66 20.453 23.702 25.234 1045 HG3 ARG 66 HG3 ARG 66 20.321 22.743 26.708 1046 HD2 ARG 66 HD2 ARG 66 18.149 23.432 26.411 1047 HD3 ARG 66 HD3 ARG 66 18.746 24.622 27.574 1048 HE ARG 66 HE ARG 66 18.844 25.226 24.647 1049 HH11 ARG 66 HH11 ARG 66 17.297 26.025 27.702 1050 HH12 ARG 66 HH12 ARG 66 16.507 27.418 27.010 1051 HH21 ARG 66 HH21 ARG 66 17.679 26.862 23.835 1052 HH22 ARG 66 HH22 ARG 66 16.654 27.822 24.865 Start of MODEL 4 1 H1 GLY -3 H1 GLY -3 0.950 4.963 -10.402 2 H2 GLY -3 H2 GLY -3 1.330 4.259 -11.835 3 H3 GLY -3 H3 GLY -3 1.216 5.890 -11.732 4 HA2 GLY -3 HA2 GLY -3 3.519 5.241 -11.825 5 HA3 GLY -3 HA3 GLY -3 3.118 6.026 -10.290 6 HA PRO -2 HA PRO -2 4.854 1.586 -9.797 7 HB2 PRO -2 HB2 PRO -2 7.490 2.013 -9.243 8 HB3 PRO -2 HB3 PRO -2 6.849 1.957 -10.918 9 HG2 PRO -2 HG2 PRO -2 7.355 4.424 -9.211 10 HG3 PRO -2 HG3 PRO -2 7.922 4.102 -10.883 11 HD2 PRO -2 HD2 PRO -2 5.671 5.549 -10.409 12 HD3 PRO -2 HD3 PRO -2 5.761 4.402 -11.779 13 H GLY -1 H GLY -1 5.027 4.508 -7.864 14 HA2 GLY -1 HA2 GLY -1 4.274 3.114 -5.450 15 HA3 GLY -1 HA3 GLY -1 5.938 3.688 -5.361 16 H SER 0 H SER 0 3.857 4.539 -3.659 17 HA SER 0 HA SER 0 2.832 7.144 -4.468 18 HB2 SER 0 HB2 SER 0 1.640 5.631 -2.910 19 HB3 SER 0 HB3 SER 0 2.932 5.855 -1.717 20 HG SER 0 HG SER 0 1.132 7.264 -1.405 21 H MET 1 H MET 1 3.321 9.163 -3.513 22 HA MET 1 HA MET 1 5.943 9.521 -2.133 23 HB2 MET 1 HB2 MET 1 4.950 11.152 -4.508 24 HB3 MET 1 HB3 MET 1 6.366 11.524 -3.518 25 HG2 MET 1 HG2 MET 1 7.403 9.374 -4.196 26 HG3 MET 1 HG3 MET 1 5.993 9.025 -5.197 27 HE1 MET 1 HE1 MET 1 7.931 12.535 -4.767 28 HE2 MET 1 HE2 MET 1 9.196 11.288 -4.733 29 HE3 MET 1 HE3 MET 1 9.082 12.406 -6.106 30 H CYS 2 H CYS 2 6.150 11.451 -0.951 31 HA CYS 2 HA CYS 2 3.740 13.122 -0.490 32 HB2 CYS 2 HB2 CYS 2 5.297 11.554 1.557 33 HB3 CYS 2 HB3 CYS 2 4.631 13.119 2.005 34 H MET 3 H MET 3 4.158 15.237 -0.032 35 HA MET 3 HA MET 3 6.891 16.300 0.085 36 HB2 MET 3 HB2 MET 3 6.766 17.523 -1.987 37 HB3 MET 3 HB3 MET 3 6.500 15.814 -2.333 38 HG2 MET 3 HG2 MET 3 4.031 16.261 -2.415 39 HG3 MET 3 HG3 MET 3 4.381 17.980 -2.180 40 HE1 MET 3 HE1 MET 3 2.623 16.851 -4.553 41 HE2 MET 3 HE2 MET 3 2.979 18.578 -4.307 42 HE3 MET 3 HE3 MET 3 3.233 17.839 -5.901 43 H ALA 4 H ALA 4 6.866 18.721 0.118 44 HA ALA 4 HA ALA 4 4.345 19.944 1.094 45 HB1 ALA 4 HB1 ALA 4 7.011 19.901 2.593 46 HB2 ALA 4 HB2 ALA 4 5.644 20.931 3.033 47 HB3 ALA 4 HB3 ALA 4 5.475 19.172 3.122 48 H LYS 5 H LYS 5 4.662 22.324 1.460 49 HA LYS 5 HA LYS 5 6.630 23.571 -0.434 50 HB2 LYS 5 HB2 LYS 5 5.265 25.588 -0.399 51 HB3 LYS 5 HB3 LYS 5 4.386 24.201 -1.062 52 HG2 LYS 5 HG2 LYS 5 3.163 23.915 1.046 53 HG3 LYS 5 HG3 LYS 5 4.035 25.268 1.772 54 HD2 LYS 5 HD2 LYS 5 2.218 25.474 -0.658 55 HD3 LYS 5 HD3 LYS 5 1.723 25.830 1.007 56 HE2 LYS 5 HE2 LYS 5 3.478 27.571 1.170 57 HE3 LYS 5 HE3 LYS 5 3.958 27.244 -0.498 58 HZ1 LYS 5 HZ1 LYS 5 2.499 29.107 -0.465 59 HZ2 LYS 5 HZ2 LYS 5 1.662 27.886 -1.160 60 HZ3 LYS 5 HZ3 LYS 5 1.340 28.318 0.389 61 H VAL 6 H VAL 6 8.124 24.939 0.311 62 HA VAL 6 HA VAL 6 8.324 25.405 3.260 63 HB VAL 6 HB VAL 6 10.420 25.524 1.082 64 HG11 VAL 6 HG11 VAL 6 12.017 26.154 2.913 65 HG12 VAL 6 HG12 VAL 6 10.896 27.449 2.509 66 HG13 VAL 6 HG13 VAL 6 10.631 26.475 3.974 67 HG21 VAL 6 HG21 VAL 6 9.844 23.298 2.168 68 HG22 VAL 6 HG22 VAL 6 11.521 23.829 2.408 69 HG23 VAL 6 HG23 VAL 6 10.353 24.008 3.723 70 H VAL 7 H VAL 7 8.184 27.406 4.092 71 HA VAL 7 HA VAL 7 8.411 29.753 2.303 72 HB VAL 7 HB VAL 7 6.013 29.344 2.546 73 HG11 VAL 7 HG11 VAL 7 6.384 29.851 5.522 74 HG12 VAL 7 HG12 VAL 7 4.844 29.671 4.655 75 HG13 VAL 7 HG13 VAL 7 5.944 28.293 4.780 76 HG21 VAL 7 HG21 VAL 7 5.362 31.593 3.155 77 HG22 VAL 7 HG22 VAL 7 6.877 31.848 4.041 78 HG23 VAL 7 HG23 VAL 7 6.889 31.645 2.274 79 H LEU 8 H LEU 8 9.410 31.495 3.148 80 HA LEU 8 HA LEU 8 10.277 31.527 5.968 81 HB2 LEU 8 HB2 LEU 8 12.628 31.381 5.475 82 HB3 LEU 8 HB3 LEU 8 11.803 29.991 4.802 83 HG LEU 8 HG LEU 8 11.789 31.477 2.570 84 HD11 LEU 8 HD11 LEU 8 12.932 33.488 3.460 85 HD12 LEU 8 HD12 LEU 8 14.246 32.480 4.097 86 HD13 LEU 8 HD13 LEU 8 14.019 32.646 2.359 87 HD21 LEU 8 HD21 LEU 8 13.819 30.338 1.868 88 HD22 LEU 8 HD22 LEU 8 14.234 29.996 3.561 89 HD23 LEU 8 HD23 LEU 8 12.789 29.262 2.819 90 H THR 9 H THR 9 11.382 33.438 6.591 91 HA THR 9 HA THR 9 11.604 35.627 4.602 92 HB THR 9 HB THR 9 10.622 36.192 7.412 93 HG1 THR 9 HG1 THR 9 9.038 35.091 6.271 94 HG21 THR 9 HG21 THR 9 10.674 37.875 4.860 95 HG22 THR 9 HG22 THR 9 10.065 38.389 6.453 96 HG23 THR 9 HG23 THR 9 11.794 38.048 6.234 97 H LYS 10 H LYS 10 13.669 36.135 4.499 98 HA LYS 10 HA LYS 10 15.686 35.296 6.383 99 HB2 LYS 10 HB2 LYS 10 15.664 37.214 4.014 100 HB3 LYS 10 HB3 LYS 10 17.118 36.879 4.948 101 HG2 LYS 10 HG2 LYS 10 17.040 34.528 4.445 102 HG3 LYS 10 HG3 LYS 10 15.490 34.686 3.599 103 HD2 LYS 10 HD2 LYS 10 17.963 36.224 2.739 104 HD3 LYS 10 HD3 LYS 10 17.657 34.564 2.186 105 HE2 LYS 10 HE2 LYS 10 15.477 35.244 1.254 106 HE3 LYS 10 HE3 LYS 10 15.750 36.898 1.794 107 HZ1 LYS 10 HZ1 LYS 10 17.465 35.465 -0.167 108 HZ2 LYS 10 HZ2 LYS 10 16.372 36.609 -0.549 109 HZ3 LYS 10 HZ3 LYS 10 17.680 37.009 0.332 110 H ALA 11 H ALA 11 17.210 36.645 7.492 111 HA ALA 11 HA ALA 11 16.101 38.573 9.293 112 HB1 ALA 11 HB1 ALA 11 18.998 38.016 8.511 113 HB2 ALA 11 HB2 ALA 11 18.449 38.865 9.972 114 HB3 ALA 11 HB3 ALA 11 18.075 37.139 9.754 115 H ASP 12 H ASP 12 17.600 38.983 6.114 116 HA ASP 12 HA ASP 12 17.795 41.874 6.194 117 HB2 ASP 12 HB2 ASP 12 17.841 39.823 3.939 118 HB3 ASP 12 HB3 ASP 12 18.196 41.531 3.746 119 H GLY 13 H GLY 13 15.065 39.956 6.155 120 HA2 GLY 13 HA2 GLY 13 12.850 40.644 5.981 121 HA3 GLY 13 HA3 GLY 13 13.329 42.095 5.098 122 H GLY 14 H GLY 14 14.822 39.367 3.674 123 HA2 GLY 14 HA2 GLY 14 13.138 39.555 1.297 124 HA3 GLY 14 HA3 GLY 14 14.563 38.545 1.516 125 H ARG 15 H ARG 15 11.211 38.544 1.275 126 HA ARG 15 HA ARG 15 10.746 35.959 2.631 127 HB2 ARG 15 HB2 ARG 15 9.132 37.782 2.791 128 HB3 ARG 15 HB3 ARG 15 8.869 37.769 1.047 129 HG2 ARG 15 HG2 ARG 15 7.762 35.680 1.076 130 HG3 ARG 15 HG3 ARG 15 8.415 35.219 2.642 131 HD2 ARG 15 HD2 ARG 15 6.489 37.535 2.253 132 HD3 ARG 15 HD3 ARG 15 5.979 35.884 2.663 133 HE ARG 15 HE ARG 15 7.904 36.475 4.564 134 HH11 ARG 15 HH11 ARG 15 4.849 38.014 3.783 135 HH12 ARG 15 HH12 ARG 15 4.678 38.663 5.390 136 HH21 ARG 15 HH21 ARG 15 7.638 37.256 6.501 137 HH22 ARG 15 HH22 ARG 15 6.248 38.234 6.934 138 H VAL 16 H VAL 16 10.534 34.009 1.724 139 HA VAL 16 HA VAL 16 10.627 33.698 -1.245 140 HB VAL 16 HB VAL 16 12.554 32.251 0.595 141 HG11 VAL 16 HG11 VAL 16 12.298 32.279 -2.432 142 HG12 VAL 16 HG12 VAL 16 13.659 31.585 -1.523 143 HG13 VAL 16 HG13 VAL 16 12.064 30.895 -1.341 144 HG21 VAL 16 HG21 VAL 16 13.292 34.571 0.451 145 HG22 VAL 16 HG22 VAL 16 14.350 33.544 -0.514 146 HG23 VAL 16 HG23 VAL 16 13.120 34.543 -1.323 147 H GLU 17 H GLU 17 9.798 31.766 -2.035 148 HA GLU 17 HA GLU 17 8.511 29.842 -0.175 149 HB2 GLU 17 HB2 GLU 17 6.867 31.592 -0.662 150 HB3 GLU 17 HB3 GLU 17 7.174 31.426 -2.395 151 HG2 GLU 17 HG2 GLU 17 6.301 29.110 -2.319 152 HG3 GLU 17 HG3 GLU 17 6.003 29.279 -0.581 153 H ILE 18 H ILE 18 8.643 27.764 -0.890 154 HA ILE 18 HA ILE 18 9.561 27.189 -3.691 155 HB ILE 18 HB ILE 18 10.739 25.996 -1.157 156 HG12 ILE 18 HG12 ILE 18 12.192 27.751 -3.184 157 HG13 ILE 18 HG13 ILE 18 11.518 28.379 -1.681 158 HG21 ILE 18 HG21 ILE 18 11.524 25.540 -4.076 159 HG22 ILE 18 HG22 ILE 18 12.277 24.791 -2.651 160 HG23 ILE 18 HG23 ILE 18 10.639 24.380 -3.073 161 HD11 ILE 18 HD11 ILE 18 13.848 27.972 -1.384 162 HD12 ILE 18 HD12 ILE 18 12.923 26.881 -0.334 163 HD13 ILE 18 HD13 ILE 18 13.685 26.270 -1.828 164 H GLY 19 H GLY 19 8.253 25.738 -4.633 165 HA2 GLY 19 HA2 GLY 19 6.383 24.090 -3.030 166 HA3 GLY 19 HA3 GLY 19 6.362 24.337 -4.768 167 H ASP 20 H ASP 20 5.974 21.863 -3.806 168 HA ASP 20 HA ASP 20 6.542 19.692 -4.045 169 HB2 ASP 20 HB2 ASP 20 8.354 20.691 -6.262 170 HB3 ASP 20 HB3 ASP 20 7.599 19.111 -6.111 171 H VAL 21 H VAL 21 8.045 20.862 -1.972 172 HA VAL 21 HA VAL 21 10.812 19.960 -2.045 173 HB VAL 21 HB VAL 21 9.094 21.003 0.229 174 HG11 VAL 21 HG11 VAL 21 12.088 20.483 0.121 175 HG12 VAL 21 HG12 VAL 21 11.233 21.365 1.403 176 HG13 VAL 21 HG13 VAL 21 10.912 19.650 1.181 177 HG21 VAL 21 HG21 VAL 21 10.474 23.049 -0.098 178 HG22 VAL 21 HG22 VAL 21 11.236 22.300 -1.518 179 HG23 VAL 21 HG23 VAL 21 9.497 22.678 -1.516 180 H LEU 22 H LEU 22 11.573 18.008 -1.577 181 HA LEU 22 HA LEU 22 9.802 15.923 -0.380 182 HB2 LEU 22 HB2 LEU 22 12.508 15.788 -1.795 183 HB3 LEU 22 HB3 LEU 22 11.672 14.414 -1.103 184 HG LEU 22 HG LEU 22 10.776 16.082 -3.464 185 HD11 LEU 22 HD11 LEU 22 10.958 13.923 -4.650 186 HD12 LEU 22 HD12 LEU 22 12.499 14.336 -3.874 187 HD13 LEU 22 HD13 LEU 22 11.428 13.120 -3.148 188 HD21 LEU 22 HD21 LEU 22 9.293 13.831 -2.041 189 HD22 LEU 22 HD22 LEU 22 8.749 15.517 -2.245 190 HD23 LEU 22 HD23 LEU 22 8.867 14.473 -3.648 191 H GLU 23 H GLU 23 12.643 17.850 0.418 192 HA GLU 23 HA GLU 23 12.648 16.783 3.136 193 HB2 GLU 23 HB2 GLU 23 15.014 16.033 3.045 194 HB3 GLU 23 HB3 GLU 23 13.911 15.073 2.076 195 HG2 GLU 23 HG2 GLU 23 14.722 16.590 0.068 196 HG3 GLU 23 HG3 GLU 23 16.058 16.994 1.145 197 H VAL 24 H VAL 24 13.765 17.960 4.635 198 HA VAL 24 HA VAL 24 15.142 20.473 3.855 199 HB VAL 24 HB VAL 24 12.853 20.373 5.863 200 HG11 VAL 24 HG11 VAL 24 14.523 22.738 4.903 201 HG12 VAL 24 HG12 VAL 24 13.098 22.827 5.947 202 HG13 VAL 24 HG13 VAL 24 14.562 22.033 6.526 203 HG21 VAL 24 HG21 VAL 24 11.745 21.971 4.271 204 HG22 VAL 24 HG22 VAL 24 13.024 21.623 3.088 205 HG23 VAL 24 HG23 VAL 24 11.913 20.344 3.623 206 H ARG 25 H ARG 25 16.764 21.102 5.270 207 HA ARG 25 HA ARG 25 17.243 19.486 7.760 208 HB2 ARG 25 HB2 ARG 25 19.290 19.924 5.541 209 HB3 ARG 25 HB3 ARG 25 19.586 19.150 7.095 210 HG2 ARG 25 HG2 ARG 25 17.868 17.387 6.472 211 HG3 ARG 25 HG3 ARG 25 17.762 18.127 4.866 212 HD2 ARG 25 HD2 ARG 25 20.187 17.695 4.509 213 HD3 ARG 25 HD3 ARG 25 20.299 17.016 6.135 214 HE ARG 25 HE ARG 25 19.305 15.041 5.422 215 HH11 ARG 25 HH11 ARG 25 18.880 17.365 2.775 216 HH12 ARG 25 HH12 ARG 25 18.225 16.081 1.753 217 HH21 ARG 25 HH21 ARG 25 18.416 13.582 3.968 218 HH22 ARG 25 HH22 ARG 25 17.974 14.168 2.363 219 H ALA 26 H ALA 26 17.836 20.651 9.462 220 HA ALA 26 HA ALA 26 18.804 23.459 9.106 221 HB1 ALA 26 HB1 ALA 26 17.718 22.009 11.555 222 HB2 ALA 26 HB2 ALA 26 18.223 23.708 11.475 223 HB3 ALA 26 HB3 ALA 26 16.827 23.156 10.530 224 H GLU 27 H GLU 27 20.909 23.813 9.254 225 HA GLU 27 HA GLU 27 22.677 21.610 10.140 226 HB2 GLU 27 HB2 GLU 27 23.312 23.972 8.366 227 HB3 GLU 27 HB3 GLU 27 24.268 22.507 8.549 228 HG2 GLU 27 HG2 GLU 27 21.486 22.608 7.284 229 HG3 GLU 27 HG3 GLU 27 23.009 22.678 6.416 230 H GLY 28 H GLY 28 21.605 23.955 11.850 231 HA2 GLY 28 HA2 GLY 28 22.372 24.964 13.796 232 HA3 GLY 28 HA3 GLY 28 23.930 24.163 13.581 233 H GLY 29 H GLY 29 22.431 26.323 11.240 234 HA2 GLY 29 HA2 GLY 29 23.610 28.794 11.736 235 HA3 GLY 29 HA3 GLY 29 24.831 27.897 10.818 236 H ALA 30 H ALA 30 22.484 26.463 9.382 237 HA ALA 30 HA ALA 30 21.090 28.546 7.895 238 HB1 ALA 30 HB1 ALA 30 23.024 26.613 6.522 239 HB2 ALA 30 HB2 ALA 30 21.964 27.770 5.703 240 HB3 ALA 30 HB3 ALA 30 23.299 28.362 6.707 241 H VAL 31 H VAL 31 19.427 27.648 6.539 242 HA VAL 31 HA VAL 31 18.782 24.753 7.027 243 HB VAL 31 HB VAL 31 16.875 26.982 6.302 244 HG11 VAL 31 HG11 VAL 31 15.107 25.181 6.479 245 HG12 VAL 31 HG12 VAL 31 16.146 24.988 5.083 246 HG13 VAL 31 HG13 VAL 31 16.393 23.968 6.519 247 HG21 VAL 31 HG21 VAL 31 17.504 26.799 8.697 248 HG22 VAL 31 HG22 VAL 31 15.803 26.419 8.419 249 HG23 VAL 31 HG23 VAL 31 16.978 25.105 8.705 250 H ARG 32 H ARG 32 18.633 23.396 5.388 251 HA ARG 32 HA ARG 32 18.990 24.330 2.554 252 HB2 ARG 32 HB2 ARG 32 19.897 21.769 3.925 253 HB3 ARG 32 HB3 ARG 32 19.904 22.013 2.171 254 HG2 ARG 32 HG2 ARG 32 21.539 23.760 2.306 255 HG3 ARG 32 HG3 ARG 32 21.386 23.894 4.059 256 HD2 ARG 32 HD2 ARG 32 23.434 22.714 3.537 257 HD3 ARG 32 HD3 ARG 32 22.288 21.647 4.362 258 HE ARG 32 HE ARG 32 22.572 21.616 1.380 259 HH11 ARG 32 HH11 ARG 32 22.868 19.758 4.399 260 HH12 ARG 32 HH12 ARG 32 23.009 18.268 3.509 261 HH21 ARG 32 HH21 ARG 32 22.586 19.672 0.384 262 HH22 ARG 32 HH22 ARG 32 22.865 18.207 1.300 263 H VAL 33 H VAL 33 17.698 23.484 1.018 264 HA VAL 33 HA VAL 33 15.282 21.863 1.771 265 HB VAL 33 HB VAL 33 15.394 24.523 0.269 266 HG11 VAL 33 HG11 VAL 33 13.679 23.149 -0.768 267 HG12 VAL 33 HG12 VAL 33 13.015 22.723 0.824 268 HG13 VAL 33 HG13 VAL 33 12.899 24.377 0.213 269 HG21 VAL 33 HG21 VAL 33 14.024 23.878 2.902 270 HG22 VAL 33 HG22 VAL 33 15.509 24.845 2.714 271 HG23 VAL 33 HG23 VAL 33 14.000 25.432 2.040 272 H THR 34 H THR 34 14.754 20.321 0.181 273 HA THR 34 HA THR 34 15.927 20.720 -2.549 274 HB THR 34 HB THR 34 16.055 18.120 -1.012 275 HG1 THR 34 HG1 THR 34 17.594 19.590 -0.338 276 HG21 THR 34 HG21 THR 34 17.499 17.398 -2.935 277 HG22 THR 34 HG22 THR 34 15.803 17.633 -3.382 278 HG23 THR 34 HG23 THR 34 17.020 18.868 -3.812 279 H THR 35 H THR 35 14.618 20.435 -4.194 280 HA THR 35 HA THR 35 11.839 19.587 -3.789 281 HB THR 35 HB THR 35 11.446 20.413 -6.010 282 HG1 THR 35 HG1 THR 35 13.289 21.258 -7.161 283 HG21 THR 35 HG21 THR 35 13.424 22.344 -4.735 284 HG22 THR 35 HG22 THR 35 12.082 22.718 -5.836 285 HG23 THR 35 HG23 THR 35 11.726 22.130 -4.210 286 H LEU 36 H LEU 36 10.750 18.203 -5.473 287 HA LEU 36 HA LEU 36 12.048 15.667 -5.819 288 HB2 LEU 36 HB2 LEU 36 10.074 14.956 -6.942 289 HB3 LEU 36 HB3 LEU 36 9.657 15.948 -5.566 290 HG LEU 36 HG LEU 36 9.314 17.896 -7.240 291 HD11 LEU 36 HD11 LEU 36 9.259 15.541 -9.188 292 HD12 LEU 36 HD12 LEU 36 8.563 17.144 -9.517 293 HD13 LEU 36 HD13 LEU 36 10.300 16.972 -9.291 294 HD21 LEU 36 HD21 LEU 36 7.030 17.111 -7.700 295 HD22 LEU 36 HD22 LEU 36 7.514 15.438 -7.349 296 HD23 LEU 36 HD23 LEU 36 7.520 16.659 -6.063 297 H PHE 37 H PHE 37 12.532 18.482 -7.642 298 HA PHE 37 HA PHE 37 13.509 17.077 -10.057 299 HB2 PHE 37 HB2 PHE 37 13.651 20.010 -9.294 300 HB3 PHE 37 HB3 PHE 37 14.031 19.309 -10.864 301 HD1 PHE 37 HD1 PHE 37 11.374 20.568 -8.693 302 HD2 PHE 37 HD2 PHE 37 12.184 18.232 -12.232 303 HE1 PHE 37 HE1 PHE 37 9.005 20.796 -9.376 304 HE2 PHE 37 HE2 PHE 37 9.805 18.460 -12.913 305 HZ PHE 37 HZ PHE 37 8.205 19.732 -11.484 306 H ASP 38 H ASP 38 14.670 17.201 -7.031 307 HA ASP 38 HA ASP 38 16.593 17.099 -5.950 308 HB2 ASP 38 HB2 ASP 38 17.974 16.487 -8.568 309 HB3 ASP 38 HB3 ASP 38 18.570 16.152 -6.952 310 H GLU 39 H GLU 39 15.768 19.729 -7.228 311 HA GLU 39 HA GLU 39 18.315 21.209 -7.408 312 HB2 GLU 39 HB2 GLU 39 15.446 22.209 -7.388 313 HB3 GLU 39 HB3 GLU 39 16.901 23.196 -7.603 314 HG2 GLU 39 HG2 GLU 39 17.491 21.746 -9.602 315 HG3 GLU 39 HG3 GLU 39 15.907 20.990 -9.460 316 H GLU 40 H GLU 40 19.433 21.703 -5.622 317 HA GLU 40 HA GLU 40 18.106 21.917 -3.006 318 HB2 GLU 40 HB2 GLU 40 20.170 20.668 -3.161 319 HB3 GLU 40 HB3 GLU 40 21.040 22.096 -3.749 320 HG2 GLU 40 HG2 GLU 40 20.628 23.269 -1.635 321 HG3 GLU 40 HG3 GLU 40 19.630 21.933 -1.056 322 H HIS 41 H HIS 41 17.855 23.688 -1.822 323 HA HIS 41 HA HIS 41 18.885 26.351 -2.704 324 HB2 HIS 41 HB2 HIS 41 16.194 25.862 -1.373 325 HB3 HIS 41 HB3 HIS 41 16.831 27.388 -1.980 326 HD2 HIS 41 HD2 HIS 41 15.235 24.084 -3.175 327 HE1 HIS 41 HE1 HIS 41 15.233 26.698 -6.538 328 HE2 HIS 41 HE2 HIS 41 14.424 24.460 -5.657 329 H ALA 42 H ALA 42 19.475 27.739 -0.917 330 HA ALA 42 HA ALA 42 19.462 26.546 1.788 331 HB1 ALA 42 HB1 ALA 42 21.506 25.674 0.699 332 HB2 ALA 42 HB2 ALA 42 22.015 27.340 0.352 333 HB3 ALA 42 HB3 ALA 42 21.877 26.777 2.034 334 H PHE 43 H PHE 43 19.532 27.951 3.443 335 HA PHE 43 HA PHE 43 19.570 30.880 2.879 336 HB2 PHE 43 HB2 PHE 43 17.403 29.335 4.319 337 HB3 PHE 43 HB3 PHE 43 17.472 31.088 4.115 338 HD1 PHE 43 HD1 PHE 43 17.280 32.101 1.820 339 HD2 PHE 43 HD2 PHE 43 16.614 27.904 2.541 340 HE1 PHE 43 HE1 PHE 43 16.209 31.894 -0.408 341 HE2 PHE 43 HE2 PHE 43 15.551 27.687 0.311 342 HZ PHE 43 HZ PHE 43 15.372 29.692 -1.189 343 HA PRO 44 HA PRO 44 22.053 30.347 6.632 344 HB2 PRO 44 HB2 PRO 44 23.307 32.755 6.708 345 HB3 PRO 44 HB3 PRO 44 23.714 31.486 5.519 346 HG2 PRO 44 HG2 PRO 44 21.877 33.878 5.131 347 HG3 PRO 44 HG3 PRO 44 23.203 33.314 4.061 348 HD2 PRO 44 HD2 PRO 44 20.607 32.667 3.609 349 HD3 PRO 44 HD3 PRO 44 21.929 31.513 3.256 350 H GLY 45 H GLY 45 21.926 30.900 8.770 351 HA2 GLY 45 HA2 GLY 45 21.326 32.000 10.718 352 HA3 GLY 45 HA3 GLY 45 20.619 33.311 9.758 353 H LEU 46 H LEU 46 19.308 30.293 8.858 354 HA LEU 46 HA LEU 46 16.850 30.806 10.451 355 HB2 LEU 46 HB2 LEU 46 17.190 29.242 7.868 356 HB3 LEU 46 HB3 LEU 46 15.678 29.534 8.725 357 HG LEU 46 HG LEU 46 17.391 31.603 7.290 358 HD11 LEU 46 HD11 LEU 46 15.901 30.095 5.935 359 HD12 LEU 46 HD12 LEU 46 14.521 30.702 6.871 360 HD13 LEU 46 HD13 LEU 46 15.462 31.813 5.855 361 HD21 LEU 46 HD21 LEU 46 15.565 33.218 7.831 362 HD22 LEU 46 HD22 LEU 46 14.862 32.033 8.946 363 HD23 LEU 46 HD23 LEU 46 16.469 32.720 9.263 364 H ALA 47 H ALA 47 15.572 29.043 11.083 365 HA ALA 47 HA ALA 47 16.707 26.322 11.223 366 HB1 ALA 47 HB1 ALA 47 15.966 26.095 13.586 367 HB2 ALA 47 HB2 ALA 47 17.271 27.284 13.405 368 HB3 ALA 47 HB3 ALA 47 15.592 27.828 13.628 369 H ILE 48 H ILE 48 14.958 24.720 11.642 370 HA ILE 48 HA ILE 48 12.525 25.375 10.156 371 HB ILE 48 HB ILE 48 13.372 22.838 11.580 372 HG12 ILE 48 HG12 ILE 48 13.304 23.293 8.567 373 HG13 ILE 48 HG13 ILE 48 14.747 23.647 9.510 374 HG21 ILE 48 HG21 ILE 48 10.920 22.919 11.373 375 HG22 ILE 48 HG22 ILE 48 11.051 23.351 9.653 376 HG23 ILE 48 HG23 ILE 48 11.561 21.757 10.222 377 HD11 ILE 48 HD11 ILE 48 15.043 21.449 8.658 378 HD12 ILE 48 HD12 ILE 48 14.722 21.278 10.383 379 HD13 ILE 48 HD13 ILE 48 13.440 20.932 9.200 380 H GLY 49 H GLY 49 10.799 26.325 11.039 381 HA2 GLY 49 HA2 GLY 49 10.568 26.599 13.984 382 HA3 GLY 49 HA3 GLY 49 9.741 27.537 12.744 383 H ARG 50 H ARG 50 8.581 25.518 11.209 384 HA ARG 50 HA ARG 50 7.041 23.723 12.973 385 HB2 ARG 50 HB2 ARG 50 5.774 25.819 13.117 386 HB3 ARG 50 HB3 ARG 50 5.690 25.933 11.358 387 HG2 ARG 50 HG2 ARG 50 4.278 23.950 11.242 388 HG3 ARG 50 HG3 ARG 50 4.485 23.649 12.984 389 HD2 ARG 50 HD2 ARG 50 3.298 25.714 13.514 390 HD3 ARG 50 HD3 ARG 50 3.172 26.142 11.806 391 HE ARG 50 HE ARG 50 1.711 23.940 13.228 392 HH11 ARG 50 HH11 ARG 50 2.043 25.705 10.178 393 HH12 ARG 50 HH12 ARG 50 0.642 24.885 9.524 394 HH21 ARG 50 HH21 ARG 50 0.093 23.025 12.341 395 HH22 ARG 50 HH22 ARG 50 -0.354 23.284 10.640 396 H VAL 51 H VAL 51 6.208 21.999 11.990 397 HA VAL 51 HA VAL 51 6.375 21.687 9.009 398 HB VAL 51 HB VAL 51 7.042 19.569 11.094 399 HG11 VAL 51 HG11 VAL 51 7.802 18.242 9.129 400 HG12 VAL 51 HG12 VAL 51 6.070 18.586 9.064 401 HG13 VAL 51 HG13 VAL 51 7.191 19.502 8.043 402 HG21 VAL 51 HG21 VAL 51 9.325 19.641 10.311 403 HG22 VAL 51 HG22 VAL 51 8.947 20.990 9.200 404 HG23 VAL 51 HG23 VAL 51 8.873 21.211 10.970 405 H ASP 52 H ASP 52 4.375 21.331 8.237 406 HA ASP 52 HA ASP 52 2.293 20.044 9.962 407 HB2 ASP 52 HB2 ASP 52 1.981 22.451 9.554 408 HB3 ASP 52 HB3 ASP 52 1.966 22.157 7.812 409 H LEU 53 H LEU 53 2.200 18.020 9.389 410 HA LEU 53 HA LEU 53 2.884 17.039 6.724 411 HB2 LEU 53 HB2 LEU 53 1.865 15.620 9.235 412 HB3 LEU 53 HB3 LEU 53 2.441 14.860 7.778 413 HG LEU 53 HG LEU 53 4.102 14.595 9.308 414 HD11 LEU 53 HD11 LEU 53 6.053 15.650 8.325 415 HD12 LEU 53 HD12 LEU 53 4.885 15.236 7.062 416 HD13 LEU 53 HD13 LEU 53 5.044 16.925 7.620 417 HD21 LEU 53 HD21 LEU 53 3.515 16.264 10.976 418 HD22 LEU 53 HD22 LEU 53 5.242 16.243 10.626 419 HD23 LEU 53 HD23 LEU 53 4.232 17.544 9.977 420 H ARG 54 H ARG 54 -0.016 17.872 8.446 421 HA ARG 54 HA ARG 54 -1.853 16.286 6.788 422 HB2 ARG 54 HB2 ARG 54 -2.153 17.149 9.245 423 HB3 ARG 54 HB3 ARG 54 -2.596 18.674 8.528 424 HG2 ARG 54 HG2 ARG 54 -3.960 15.963 8.209 425 HG3 ARG 54 HG3 ARG 54 -4.563 17.359 9.097 426 HD2 ARG 54 HD2 ARG 54 -4.343 17.026 6.088 427 HD3 ARG 54 HD3 ARG 54 -5.813 17.164 7.056 428 HE ARG 54 HE ARG 54 -4.366 19.521 7.536 429 HH11 ARG 54 HH11 ARG 54 -5.840 18.038 4.732 430 HH12 ARG 54 HH12 ARG 54 -6.116 19.566 3.942 431 HH21 ARG 54 HH21 ARG 54 -4.408 21.394 6.301 432 HH22 ARG 54 HH22 ARG 54 -5.392 21.423 4.853 433 H SER 55 H SER 55 -1.072 19.780 7.095 434 HA SER 55 HA SER 55 -2.470 20.427 4.615 435 HB2 SER 55 HB2 SER 55 -0.627 22.192 6.254 436 HB3 SER 55 HB3 SER 55 -1.815 22.716 5.057 437 HG SER 55 HG SER 55 -2.137 22.170 7.679 438 H GLY 56 H GLY 56 0.816 19.483 5.284 439 HA2 GLY 56 HA2 GLY 56 2.560 19.067 3.833 440 HA3 GLY 56 HA3 GLY 56 1.569 19.597 2.466 441 H VAL 57 H VAL 57 2.712 21.268 5.450 442 HA VAL 57 HA VAL 57 4.040 23.364 3.775 443 HB VAL 57 HB VAL 57 2.167 23.954 6.090 444 HG11 VAL 57 HG11 VAL 57 3.951 25.618 5.997 445 HG12 VAL 57 HG12 VAL 57 3.746 25.802 4.233 446 HG13 VAL 57 HG13 VAL 57 2.476 26.335 5.359 447 HG21 VAL 57 HG21 VAL 57 1.816 24.468 3.107 448 HG22 VAL 57 HG22 VAL 57 0.874 23.338 4.093 449 HG23 VAL 57 HG23 VAL 57 0.755 25.085 4.388 450 H ILE 58 H ILE 58 5.896 24.170 4.528 451 HA ILE 58 HA ILE 58 6.811 23.504 7.302 452 HB ILE 58 HB ILE 58 8.415 23.429 4.734 453 HG12 ILE 58 HG12 ILE 58 7.952 21.192 6.740 454 HG13 ILE 58 HG13 ILE 58 6.980 21.395 5.288 455 HG21 ILE 58 HG21 ILE 58 10.358 22.805 6.203 456 HG22 ILE 58 HG22 ILE 58 9.803 24.437 6.506 457 HG23 ILE 58 HG23 ILE 58 9.354 23.136 7.628 458 HD11 ILE 58 HD11 ILE 58 8.594 19.758 4.763 459 HD12 ILE 58 HD12 ILE 58 9.055 21.231 3.895 460 HD13 ILE 58 HD13 ILE 58 9.928 20.745 5.374 461 H SER 59 H SER 59 7.369 25.228 8.449 462 HA SER 59 HA SER 59 7.754 27.869 7.077 463 HB2 SER 59 HB2 SER 59 6.593 27.346 9.831 464 HB3 SER 59 HB3 SER 59 6.832 28.921 9.060 465 HG SER 59 HG SER 59 4.687 28.188 8.800 466 H LEU 60 H LEU 60 9.702 28.751 7.291 467 HA LEU 60 HA LEU 60 11.554 27.775 9.415 468 HB2 LEU 60 HB2 LEU 60 12.203 29.487 7.019 469 HB3 LEU 60 HB3 LEU 60 13.330 28.672 8.111 470 HG LEU 60 HG LEU 60 11.464 27.351 6.090 471 HD11 LEU 60 HD11 LEU 60 14.498 27.533 6.300 472 HD12 LEU 60 HD12 LEU 60 13.584 26.659 5.052 473 HD13 LEU 60 HD13 LEU 60 13.486 28.425 5.152 474 HD21 LEU 60 HD21 LEU 60 12.592 25.234 6.718 475 HD22 LEU 60 HD22 LEU 60 13.400 26.071 8.060 476 HD23 LEU 60 HD23 LEU 60 11.629 25.877 8.046 477 H ILE 61 H ILE 61 12.745 29.148 10.703 478 HA ILE 61 HA ILE 61 11.792 31.950 11.090 479 HB ILE 61 HB ILE 61 11.665 31.642 13.492 480 HG12 ILE 61 HG12 ILE 61 11.350 28.983 14.103 481 HG13 ILE 61 HG13 ILE 61 12.655 28.890 12.913 482 HG21 ILE 61 HG21 ILE 61 9.854 29.682 12.030 483 HG22 ILE 61 HG22 ILE 61 9.536 30.467 13.597 484 HG23 ILE 61 HG23 ILE 61 9.641 31.445 12.131 485 HD11 ILE 61 HD11 ILE 61 13.453 29.016 15.247 486 HD12 ILE 61 HD12 ILE 61 14.049 30.350 14.266 487 HD13 ILE 61 HD13 ILE 61 12.703 30.623 15.404 488 H GLU 62 H GLU 62 13.223 33.199 12.530 489 HA GLU 62 HA GLU 62 16.012 32.888 11.691 490 HB2 GLU 62 HB2 GLU 62 14.667 34.896 13.539 491 HB3 GLU 62 HB3 GLU 62 16.376 34.941 13.062 492 HG2 GLU 62 HG2 GLU 62 15.736 35.184 10.693 493 HG3 GLU 62 HG3 GLU 62 14.029 35.071 11.116 494 H GLU 63 H GLU 63 17.464 31.670 12.645 495 HA GLU 63 HA GLU 63 16.917 30.105 14.930 496 HB2 GLU 63 HB2 GLU 63 18.405 29.478 13.088 497 HB3 GLU 63 HB3 GLU 63 19.572 30.702 13.583 498 HG2 GLU 63 HG2 GLU 63 19.921 29.520 15.718 499 HG3 GLU 63 HG3 GLU 63 18.689 28.337 15.298 500 H GLN 64 H GLN 64 17.131 30.403 17.079 501 HA GLN 64 HA GLN 64 18.304 32.896 18.090 502 HB2 GLN 64 HB2 GLN 64 16.815 30.647 19.514 503 HB3 GLN 64 HB3 GLN 64 17.239 32.209 20.219 504 HG2 GLN 64 HG2 GLN 64 15.323 31.756 17.887 505 HG3 GLN 64 HG3 GLN 64 14.888 32.152 19.538 506 HE21 GLN 64 HE21 GLN 64 15.423 33.514 16.473 507 HE22 GLN 64 HE22 GLN 64 15.668 35.175 17.023 508 H ASN 65 H ASN 65 19.786 30.149 17.325 509 HA ASN 65 HA ASN 65 21.329 29.511 19.696 510 HB2 ASN 65 HB2 ASN 65 20.604 27.973 17.750 511 HB3 ASN 65 HB3 ASN 65 21.900 28.732 16.817 512 HD21 ASN 65 HD21 ASN 65 21.205 26.811 19.749 513 HD22 ASN 65 HD22 ASN 65 22.768 26.002 19.740 514 H ARG 66 H ARG 66 21.658 31.977 17.381 515 HA ARG 66 HA ARG 66 24.469 32.188 17.021 516 HB2 ARG 66 HB2 ARG 66 24.031 34.307 16.019 517 HB3 ARG 66 HB3 ARG 66 22.712 33.217 15.589 518 HG2 ARG 66 HG2 ARG 66 21.373 34.315 17.518 519 HG3 ARG 66 HG3 ARG 66 22.692 35.490 17.628 520 HD2 ARG 66 HD2 ARG 66 21.019 36.487 16.268 521 HD3 ARG 66 HD3 ARG 66 22.336 35.992 15.177 522 HE ARG 66 HE ARG 66 20.087 34.097 15.561 523 HH11 ARG 66 HH11 ARG 66 21.380 36.502 13.344 524 HH12 ARG 66 HH12 ARG 66 20.403 35.886 12.031 525 HH21 ARG 66 HH21 ARG 66 19.016 33.380 13.961 526 HH22 ARG 66 HH22 ARG 66 19.138 34.038 12.346 527 H1 GLY -3 H1 GLY -3 -12.414 11.809 0.672 528 H2 GLY -3 H2 GLY -3 -11.004 12.138 -0.093 529 H3 GLY -3 H3 GLY -3 -11.175 12.491 1.498 530 HA2 GLY -3 HA2 GLY -3 -11.380 10.142 2.049 531 HA3 GLY -3 HA3 GLY -3 -11.128 9.785 0.331 532 HA PRO -2 HA PRO -2 -7.018 9.425 2.374 533 HB2 PRO -2 HB2 PRO -2 -6.679 7.591 0.013 534 HB3 PRO -2 HB3 PRO -2 -6.132 7.383 1.716 535 HG2 PRO -2 HG2 PRO -2 -8.336 6.074 0.840 536 HG3 PRO -2 HG3 PRO -2 -8.360 6.882 2.444 537 HD2 PRO -2 HD2 PRO -2 -9.456 7.923 -0.185 538 HD3 PRO -2 HD3 PRO -2 -10.228 7.887 1.425 539 H GLY -1 H GLY -1 -4.809 9.855 1.622 540 HA2 GLY -1 HA2 GLY -1 -3.180 10.880 0.338 541 HA3 GLY -1 HA3 GLY -1 -4.338 11.103 -0.982 542 H SER 0 H SER 0 -5.827 12.373 1.699 543 HA SER 0 HA SER 0 -5.315 15.158 1.022 544 HB2 SER 0 HB2 SER 0 -7.001 15.589 2.749 545 HB3 SER 0 HB3 SER 0 -7.539 14.302 1.655 546 HG SER 0 HG SER 0 -7.911 13.720 3.815 547 H MET 1 H MET 1 -3.466 13.075 2.798 548 HA MET 1 HA MET 1 -2.073 15.123 4.367 549 HB2 MET 1 HB2 MET 1 -2.408 13.943 6.510 550 HB3 MET 1 HB3 MET 1 -3.904 14.636 5.880 551 HG2 MET 1 HG2 MET 1 -4.611 12.427 5.034 552 HG3 MET 1 HG3 MET 1 -3.135 11.699 5.654 553 HE1 MET 1 HE1 MET 1 -2.683 12.915 8.495 554 HE2 MET 1 HE2 MET 1 -3.564 11.723 9.470 555 HE3 MET 1 HE3 MET 1 -2.613 11.195 8.066 556 H CYS 2 H CYS 2 -0.119 14.351 5.323 557 HA CYS 2 HA CYS 2 0.990 11.761 4.346 558 HB2 CYS 2 HB2 CYS 2 1.929 14.598 3.876 559 HB3 CYS 2 HB3 CYS 2 3.090 13.285 3.902 560 H MET 3 H MET 3 0.085 11.930 6.907 561 HA MET 3 HA MET 3 1.670 13.119 8.858 562 HB2 MET 3 HB2 MET 3 0.651 11.688 10.465 563 HB3 MET 3 HB3 MET 3 -0.536 12.203 9.271 564 HG2 MET 3 HG2 MET 3 -0.348 9.979 8.167 565 HG3 MET 3 HG3 MET 3 0.836 9.483 9.377 566 HE1 MET 3 HE1 MET 3 -1.676 7.748 8.747 567 HE2 MET 3 HE2 MET 3 -0.493 7.335 10.006 568 HE3 MET 3 HE3 MET 3 -2.236 7.316 10.370 569 H ALA 4 H ALA 4 3.311 12.588 10.199 570 HA ALA 4 HA ALA 4 5.277 10.669 9.034 571 HB1 ALA 4 HB1 ALA 4 5.815 13.050 8.774 572 HB2 ALA 4 HB2 ALA 4 5.652 13.293 10.534 573 HB3 ALA 4 HB3 ALA 4 6.961 12.297 9.889 574 H LYS 5 H LYS 5 7.111 10.252 10.651 575 HA LYS 5 HA LYS 5 6.164 9.912 13.453 576 HB2 LYS 5 HB2 LYS 5 7.728 8.080 13.795 577 HB3 LYS 5 HB3 LYS 5 6.492 7.680 12.601 578 HG2 LYS 5 HG2 LYS 5 8.094 8.093 10.772 579 HG3 LYS 5 HG3 LYS 5 9.357 8.526 11.923 580 HD2 LYS 5 HD2 LYS 5 7.985 5.802 11.852 581 HD3 LYS 5 HD3 LYS 5 9.495 6.182 11.008 582 HE2 LYS 5 HE2 LYS 5 10.577 6.783 13.147 583 HE3 LYS 5 HE3 LYS 5 9.085 6.406 14.016 584 HZ1 LYS 5 HZ1 LYS 5 9.286 4.100 13.239 585 HZ2 LYS 5 HZ2 LYS 5 10.658 4.451 12.425 586 HZ3 LYS 5 HZ3 LYS 5 10.641 4.536 14.046 587 H VAL 6 H VAL 6 7.446 10.616 15.041 588 HA VAL 6 HA VAL 6 9.828 12.296 14.345 589 HB VAL 6 HB VAL 6 7.908 12.442 16.685 590 HG11 VAL 6 HG11 VAL 6 9.293 14.404 17.457 591 HG12 VAL 6 HG12 VAL 6 10.110 12.861 17.660 592 HG13 VAL 6 HG13 VAL 6 10.549 13.927 16.295 593 HG21 VAL 6 HG21 VAL 6 7.275 13.595 14.513 594 HG22 VAL 6 HG22 VAL 6 7.496 14.702 15.870 595 HG23 VAL 6 HG23 VAL 6 8.779 14.532 14.653 596 H VAL 7 H VAL 7 11.786 11.890 15.318 597 HA VAL 7 HA VAL 7 11.921 9.903 17.508 598 HB VAL 7 HB VAL 7 12.468 8.671 15.501 599 HG11 VAL 7 HG11 VAL 7 14.497 9.081 14.204 600 HG12 VAL 7 HG12 VAL 7 13.404 10.454 14.066 601 HG13 VAL 7 HG13 VAL 7 14.829 10.567 15.119 602 HG21 VAL 7 HG21 VAL 7 14.528 7.661 16.219 603 HG22 VAL 7 HG22 VAL 7 14.993 9.101 17.149 604 HG23 VAL 7 HG23 VAL 7 13.599 8.119 17.659 605 H LEU 8 H LEU 8 13.415 10.252 19.062 606 HA LEU 8 HA LEU 8 15.391 12.408 18.857 607 HB2 LEU 8 HB2 LEU 8 14.540 13.698 20.730 608 HB3 LEU 8 HB3 LEU 8 13.321 13.554 19.478 609 HG LEU 8 HG LEU 8 12.533 11.467 21.012 610 HD11 LEU 8 HD11 LEU 8 13.707 13.471 22.992 611 HD12 LEU 8 HD12 LEU 8 12.645 12.115 23.401 612 HD13 LEU 8 HD13 LEU 8 14.272 11.804 22.774 613 HD21 LEU 8 HD21 LEU 8 10.862 12.952 21.986 614 HD22 LEU 8 HD22 LEU 8 11.838 14.378 21.579 615 HD23 LEU 8 HD23 LEU 8 11.137 13.371 20.292 616 H THR 9 H THR 9 16.918 12.437 20.587 617 HA THR 9 HA THR 9 17.178 9.830 22.046 618 HB THR 9 HB THR 9 19.394 11.582 20.940 619 HG1 THR 9 HG1 THR 9 18.319 10.461 19.328 620 HG21 THR 9 HG21 THR 9 20.861 9.665 21.465 621 HG22 THR 9 HG22 THR 9 20.166 10.348 22.931 622 HG23 THR 9 HG23 THR 9 19.509 8.831 22.261 623 H LYS 10 H LYS 10 17.569 9.863 24.176 624 HA LYS 10 HA LYS 10 17.283 12.362 25.708 625 HB2 LYS 10 HB2 LYS 10 17.762 9.507 26.695 626 HB3 LYS 10 HB3 LYS 10 17.270 10.904 27.661 627 HG2 LYS 10 HG2 LYS 10 15.142 11.023 26.343 628 HG3 LYS 10 HG3 LYS 10 15.622 9.546 25.497 629 HD2 LYS 10 HD2 LYS 10 15.792 8.375 27.734 630 HD3 LYS 10 HD3 LYS 10 15.175 9.850 28.507 631 HE2 LYS 10 HE2 LYS 10 13.125 9.695 27.070 632 HE3 LYS 10 HE3 LYS 10 13.754 8.182 26.392 633 HZ1 LYS 10 HZ1 LYS 10 13.677 7.232 28.637 634 HZ2 LYS 10 HZ2 LYS 10 13.092 8.622 29.265 635 HZ3 LYS 10 HZ3 LYS 10 12.193 7.765 28.222 636 H ALA 11 H ALA 11 18.721 13.035 27.362 637 HA ALA 11 HA ALA 11 21.566 12.950 26.822 638 HB1 ALA 11 HB1 ALA 11 20.424 14.855 27.932 639 HB2 ALA 11 HB2 ALA 11 20.021 13.811 29.311 640 HB3 ALA 11 HB3 ALA 11 21.717 14.193 28.955 641 H ASP 12 H ASP 12 19.419 10.922 28.731 642 HA ASP 12 HA ASP 12 21.470 9.498 30.192 643 HB2 ASP 12 HB2 ASP 12 19.013 9.815 30.802 644 HB3 ASP 12 HB3 ASP 12 18.620 8.627 29.556 645 H GLY 13 H GLY 13 20.841 9.464 26.904 646 HA2 GLY 13 HA2 GLY 13 21.753 8.121 25.242 647 HA3 GLY 13 HA3 GLY 13 22.208 6.906 26.431 648 H GLY 14 H GLY 14 18.937 7.787 26.772 649 HA2 GLY 14 HA2 GLY 14 17.882 5.310 25.526 650 HA3 GLY 14 HA3 GLY 14 16.992 6.510 26.467 651 H ARG 15 H ARG 15 15.804 5.612 24.207 652 HA ARG 15 HA ARG 15 15.810 8.001 22.447 653 HB2 ARG 15 HB2 ARG 15 17.266 6.019 21.546 654 HB3 ARG 15 HB3 ARG 15 15.713 5.238 21.216 655 HG2 ARG 15 HG2 ARG 15 15.096 7.307 19.834 656 HG3 ARG 15 HG3 ARG 15 16.728 7.927 20.143 657 HD2 ARG 15 HD2 ARG 15 16.791 6.916 18.005 658 HD3 ARG 15 HD3 ARG 15 17.650 5.821 19.104 659 HE ARG 15 HE ARG 15 14.749 5.324 18.618 660 HH11 ARG 15 HH11 ARG 15 17.984 4.229 17.736 661 HH12 ARG 15 HH12 ARG 15 17.352 2.725 17.121 662 HH21 ARG 15 HH21 ARG 15 14.080 3.541 17.923 663 HH22 ARG 15 HH22 ARG 15 15.148 2.301 17.243 664 H VAL 16 H VAL 16 13.880 8.475 21.463 665 HA VAL 16 HA VAL 16 11.444 6.921 22.257 666 HB VAL 16 HB VAL 16 11.815 9.925 22.525 667 HG11 VAL 16 HG11 VAL 16 9.499 9.449 21.897 668 HG12 VAL 16 HG12 VAL 16 9.397 8.184 23.150 669 HG13 VAL 16 HG13 VAL 16 9.574 9.894 23.600 670 HG21 VAL 16 HG21 VAL 16 12.928 8.792 24.365 671 HG22 VAL 16 HG22 VAL 16 11.442 9.538 24.952 672 HG23 VAL 16 HG23 VAL 16 11.493 7.786 24.669 673 H GLU 17 H GLU 17 9.873 6.797 20.771 674 HA GLU 17 HA GLU 17 10.030 8.461 18.318 675 HB2 GLU 17 HB2 GLU 17 9.037 5.595 18.368 676 HB3 GLU 17 HB3 GLU 17 9.119 6.675 16.996 677 HG2 GLU 17 HG2 GLU 17 10.940 5.319 16.639 678 HG3 GLU 17 HG3 GLU 17 11.655 6.762 17.341 679 H ILE 18 H ILE 18 8.071 9.139 17.425 680 HA ILE 18 HA ILE 18 5.517 8.510 18.842 681 HB ILE 18 HB ILE 18 6.369 11.255 17.879 682 HG12 ILE 18 HG12 ILE 18 5.694 10.516 20.755 683 HG13 ILE 18 HG13 ILE 18 7.350 10.478 20.153 684 HG21 ILE 18 HG21 ILE 18 3.766 10.355 19.208 685 HG22 ILE 18 HG22 ILE 18 4.170 12.024 18.766 686 HG23 ILE 18 HG23 ILE 18 3.950 10.819 17.511 687 HD11 ILE 18 HD11 ILE 18 6.918 12.572 21.266 688 HD12 ILE 18 HD12 ILE 18 7.282 12.836 19.547 689 HD13 ILE 18 HD13 ILE 18 5.607 12.961 20.138 690 H GLY 19 H GLY 19 4.080 7.701 17.402 691 HA2 GLY 19 HA2 GLY 19 4.558 7.968 14.472 692 HA3 GLY 19 HA3 GLY 19 3.536 6.788 15.264 693 H ASP 20 H ASP 20 2.597 8.009 13.105 694 HA ASP 20 HA ASP 20 0.891 9.146 12.182 695 HB2 ASP 20 HB2 ASP 20 -0.445 8.731 14.869 696 HB3 ASP 20 HB3 ASP 20 -1.249 8.964 13.321 697 H VAL 21 H VAL 21 2.781 10.945 12.972 698 HA VAL 21 HA VAL 21 1.683 13.145 14.527 699 HB VAL 21 HB VAL 21 4.250 12.895 12.930 700 HG11 VAL 21 HG11 VAL 21 3.347 15.047 14.882 701 HG12 VAL 21 HG12 VAL 21 5.008 14.846 14.271 702 HG13 VAL 21 HG13 VAL 21 3.722 15.258 13.150 703 HG21 VAL 21 HG21 VAL 21 3.637 12.690 15.910 704 HG22 VAL 21 HG22 VAL 21 4.156 11.360 14.853 705 HG23 VAL 21 HG23 VAL 21 5.274 12.681 15.208 706 H LEU 22 H LEU 22 0.400 14.691 13.845 707 HA LEU 22 HA LEU 22 -0.015 15.284 10.970 708 HB2 LEU 22 HB2 LEU 22 -1.291 16.441 13.487 709 HB3 LEU 22 HB3 LEU 22 -1.709 16.876 11.835 710 HG LEU 22 HG LEU 22 -2.126 14.168 13.143 711 HD11 LEU 22 HD11 LEU 22 -3.707 15.949 13.818 712 HD12 LEU 22 HD12 LEU 22 -4.047 16.306 12.102 713 HD13 LEU 22 HD13 LEU 22 -4.526 14.751 12.793 714 HD21 LEU 22 HD21 LEU 22 -3.365 13.558 11.083 715 HD22 LEU 22 HD22 LEU 22 -2.777 15.046 10.300 716 HD23 LEU 22 HD23 LEU 22 -1.642 13.766 10.784 717 H GLU 23 H GLU 23 1.508 16.795 13.829 718 HA GLU 23 HA GLU 23 3.019 18.514 12.051 719 HB2 GLU 23 HB2 GLU 23 2.403 20.663 13.007 720 HB3 GLU 23 HB3 GLU 23 1.022 19.916 12.208 721 HG2 GLU 23 HG2 GLU 23 0.123 19.193 14.380 722 HG3 GLU 23 HG3 GLU 23 1.510 19.918 15.222 723 H VAL 24 H VAL 24 4.710 19.646 12.956 724 HA VAL 24 HA VAL 24 5.508 19.043 15.767 725 HB VAL 24 HB VAL 24 7.414 19.006 13.394 726 HG11 VAL 24 HG11 VAL 24 7.815 18.339 16.340 727 HG12 VAL 24 HG12 VAL 24 9.016 18.107 15.050 728 HG13 VAL 24 HG13 VAL 24 8.486 19.734 15.489 729 HG21 VAL 24 HG21 VAL 24 6.287 16.704 15.035 730 HG22 VAL 24 HG22 VAL 24 6.060 16.985 13.288 731 HG23 VAL 24 HG23 VAL 24 7.655 16.577 13.901 732 H ARG 25 H ARG 25 6.259 20.775 16.841 733 HA ARG 25 HA ARG 25 6.467 23.437 15.438 734 HB2 ARG 25 HB2 ARG 25 4.848 22.606 17.885 735 HB3 ARG 25 HB3 ARG 25 5.087 24.284 17.382 736 HG2 ARG 25 HG2 ARG 25 3.843 24.026 15.394 737 HG3 ARG 25 HG3 ARG 25 3.804 22.260 15.508 738 HD2 ARG 25 HD2 ARG 25 2.521 24.081 17.573 739 HD3 ARG 25 HD3 ARG 25 1.670 23.434 16.169 740 HE ARG 25 HE ARG 25 2.035 21.155 16.992 741 HH11 ARG 25 HH11 ARG 25 2.466 23.603 19.512 742 HH12 ARG 25 HH12 ARG 25 2.101 22.385 20.735 743 HH21 ARG 25 HH21 ARG 25 1.479 19.836 18.700 744 HH22 ARG 25 HH22 ARG 25 1.739 20.468 20.326 745 H ALA 26 H ALA 26 8.284 24.492 15.956 746 HA ALA 26 HA ALA 26 9.745 23.807 18.453 747 HB1 ALA 26 HB1 ALA 26 11.637 24.917 17.438 748 HB2 ALA 26 HB2 ALA 26 10.989 23.712 16.308 749 HB3 ALA 26 HB3 ALA 26 10.650 25.428 16.049 750 H GLU 27 H GLU 27 10.008 25.225 20.073 751 HA GLU 27 HA GLU 27 8.765 27.943 19.932 752 HB2 GLU 27 HB2 GLU 27 9.465 26.300 22.393 753 HB3 GLU 27 HB3 GLU 27 8.651 27.868 22.351 754 HG2 GLU 27 HG2 GLU 27 6.819 26.761 20.958 755 HG3 GLU 27 HG3 GLU 27 7.568 25.210 21.360 756 H GLY 28 H GLY 28 11.578 26.944 19.109 757 HA2 GLY 28 HA2 GLY 28 13.625 28.012 18.881 758 HA3 GLY 28 HA3 GLY 28 13.108 29.266 20.003 759 H GLY 29 H GLY 29 12.495 27.494 22.200 760 HA2 GLY 29 HA2 GLY 29 15.154 26.330 22.982 761 HA3 GLY 29 HA3 GLY 29 14.067 27.144 24.101 762 H ALA 30 H ALA 30 12.264 25.215 21.933 763 HA ALA 30 HA ALA 30 12.440 22.661 23.287 764 HB1 ALA 30 HB1 ALA 30 10.149 22.735 24.232 765 HB2 ALA 30 HB2 ALA 30 11.134 24.016 24.962 766 HB3 ALA 30 HB3 ALA 30 9.957 24.408 23.686 767 H VAL 31 H VAL 31 10.836 21.116 22.424 768 HA VAL 31 HA VAL 31 9.498 21.943 19.872 769 HB VAL 31 HB VAL 31 11.081 19.394 20.267 770 HG11 VAL 31 HG11 VAL 31 9.077 18.742 19.039 771 HG12 VAL 31 HG12 VAL 31 9.214 20.180 17.996 772 HG13 VAL 31 HG13 VAL 31 10.401 18.869 17.898 773 HG21 VAL 31 HG21 VAL 31 12.321 20.176 18.303 774 HG22 VAL 31 HG22 VAL 31 11.294 21.623 18.196 775 HG23 VAL 31 HG23 VAL 31 12.379 21.403 19.576 776 H ARG 32 H ARG 32 7.532 21.123 19.469 777 HA ARG 32 HA ARG 32 6.224 19.274 21.414 778 HB2 ARG 32 HB2 ARG 32 5.123 21.881 20.277 779 HB3 ARG 32 HB3 ARG 32 4.160 20.701 21.177 780 HG2 ARG 32 HG2 ARG 32 5.450 21.047 23.199 781 HG3 ARG 32 HG3 ARG 32 6.646 22.027 22.350 782 HD2 ARG 32 HD2 ARG 32 5.311 23.521 23.566 783 HD3 ARG 32 HD3 ARG 32 4.929 23.738 21.851 784 HE ARG 32 HE ARG 32 2.994 21.953 22.805 785 HH11 ARG 32 HH11 ARG 32 3.892 25.280 23.545 786 HH12 ARG 32 HH12 ARG 32 2.300 25.625 24.199 787 HH21 ARG 32 HH21 ARG 32 1.047 22.445 23.639 788 HH22 ARG 32 HH22 ARG 32 0.726 24.063 24.222 789 H VAL 33 H VAL 33 4.579 17.977 20.571 790 HA VAL 33 HA VAL 33 4.533 17.628 17.585 791 HB VAL 33 HB VAL 33 5.070 15.467 19.659 792 HG11 VAL 33 HG11 VAL 33 5.506 14.016 17.686 793 HG12 VAL 33 HG12 VAL 33 3.836 14.562 17.745 794 HG13 VAL 33 HG13 VAL 33 4.983 15.330 16.620 795 HG21 VAL 33 HG21 VAL 33 6.945 16.646 17.579 796 HG22 VAL 33 HG22 VAL 33 7.090 16.844 19.342 797 HG23 VAL 33 HG23 VAL 33 7.290 15.255 18.625 798 H THR 34 H THR 34 2.530 17.165 16.777 799 HA THR 34 HA THR 34 0.329 16.413 18.690 800 HB THR 34 HB THR 34 -0.003 17.803 16.031 801 HG1 THR 34 HG1 THR 34 -0.438 19.647 17.325 802 HG21 THR 34 HG21 THR 34 -1.868 17.412 18.417 803 HG22 THR 34 HG22 THR 34 -2.220 18.427 16.997 804 HG23 THR 34 HG23 THR 34 -2.039 16.687 16.797 805 H THR 35 H THR 35 -0.617 14.497 18.404 806 HA THR 35 HA THR 35 -0.088 12.884 15.968 807 HB THR 35 HB THR 35 -1.051 11.033 17.152 808 HG1 THR 35 HG1 THR 35 -1.504 12.769 19.324 809 HG21 THR 35 HG21 THR 35 0.463 10.787 19.014 810 HG22 THR 35 HG22 THR 35 1.304 11.602 17.699 811 HG23 THR 35 HG23 THR 35 0.750 12.534 19.100 812 H LEU 36 H LEU 36 -1.765 11.627 14.965 813 HA LEU 36 HA LEU 36 -4.022 12.875 13.911 814 HB2 LEU 36 HB2 LEU 36 -2.952 10.901 12.998 815 HB3 LEU 36 HB3 LEU 36 -3.314 9.976 14.456 816 HG LEU 36 HG LEU 36 -5.720 10.001 13.915 817 HD11 LEU 36 HD11 LEU 36 -6.464 10.707 11.664 818 HD12 LEU 36 HD12 LEU 36 -5.895 12.102 12.596 819 HD13 LEU 36 HD13 LEU 36 -4.857 11.381 11.336 820 HD21 LEU 36 HD21 LEU 36 -4.236 8.181 13.092 821 HD22 LEU 36 HD22 LEU 36 -5.607 8.470 12.019 822 HD23 LEU 36 HD23 LEU 36 -4.000 9.075 11.579 823 H PHE 37 H PHE 37 -3.770 11.304 17.044 824 HA PHE 37 HA PHE 37 -6.707 11.391 17.455 825 HB2 PHE 37 HB2 PHE 37 -4.554 9.987 19.068 826 HB3 PHE 37 HB3 PHE 37 -6.300 9.839 19.285 827 HD1 PHE 37 HD1 PHE 37 -3.429 8.569 17.472 828 HD2 PHE 37 HD2 PHE 37 -7.721 9.026 17.289 829 HE1 PHE 37 HE1 PHE 37 -3.523 6.924 15.622 830 HE2 PHE 37 HE2 PHE 37 -7.814 7.372 15.434 831 HZ PHE 37 HZ PHE 37 -5.713 6.352 14.571 832 H ASP 38 H ASP 38 -4.759 13.742 17.602 833 HA ASP 38 HA ASP 38 -4.557 15.684 18.667 834 HB2 ASP 38 HB2 ASP 38 -7.091 15.005 20.161 835 HB3 ASP 38 HB3 ASP 38 -6.402 16.605 19.924 836 H GLU 39 H GLU 39 -3.497 13.141 20.104 837 HA GLU 39 HA GLU 39 -2.983 14.181 22.810 838 HB2 GLU 39 HB2 GLU 39 -1.495 12.001 21.295 839 HB3 GLU 39 HB3 GLU 39 -1.350 12.383 22.991 840 HG2 GLU 39 HG2 GLU 39 -3.808 11.253 21.588 841 HG3 GLU 39 HG3 GLU 39 -2.698 10.379 22.634 842 H GLU 40 H GLU 40 -1.392 15.543 23.403 843 HA GLU 40 HA GLU 40 0.630 16.377 21.383 844 HB2 GLU 40 HB2 GLU 40 -0.737 18.231 22.096 845 HB3 GLU 40 HB3 GLU 40 -0.408 17.889 23.802 846 HG2 GLU 40 HG2 GLU 40 1.951 18.410 23.530 847 HG3 GLU 40 HG3 GLU 40 1.777 18.504 21.775 848 H HIS 41 H HIS 41 2.732 16.209 21.765 849 HA HIS 41 HA HIS 41 3.761 15.316 24.439 850 HB2 HIS 41 HB2 HIS 41 5.005 14.683 21.749 851 HB3 HIS 41 HB3 HIS 41 5.544 14.131 23.327 852 HD2 HIS 41 HD2 HIS 41 2.935 13.419 20.616 853 HE1 HIS 41 HE1 HIS 41 2.442 10.370 23.543 854 HE2 HIS 41 HE2 HIS 41 1.742 11.154 21.232 855 H ALA 42 H ALA 42 5.765 16.306 25.097 856 HA ALA 42 HA ALA 42 6.687 18.673 23.568 857 HB1 ALA 42 HB1 ALA 42 4.791 19.465 24.948 858 HB2 ALA 42 HB2 ALA 42 5.591 18.844 26.409 859 HB3 ALA 42 HB3 ALA 42 6.326 20.168 25.482 860 H PHE 43 H PHE 43 8.756 19.217 23.879 861 HA PHE 43 HA PHE 43 10.420 17.764 25.894 862 HB2 PHE 43 HB2 PHE 43 10.926 17.898 22.917 863 HB3 PHE 43 HB3 PHE 43 11.943 17.109 24.126 864 HD1 PHE 43 HD1 PHE 43 11.023 15.065 25.365 865 HD2 PHE 43 HD2 PHE 43 9.034 16.810 21.953 866 HE1 PHE 43 HE1 PHE 43 9.659 13.014 25.112 867 HE2 PHE 43 HE2 PHE 43 7.647 14.772 21.734 868 HZ PHE 43 HZ PHE 43 7.959 12.863 23.313 869 HA PRO 44 HA PRO 44 11.989 22.084 25.807 870 HB2 PRO 44 HB2 PRO 44 13.116 22.119 28.301 871 HB3 PRO 44 HB3 PRO 44 11.364 22.366 28.016 872 HG2 PRO 44 HG2 PRO 44 12.766 19.797 28.824 873 HG3 PRO 44 HG3 PRO 44 11.284 20.525 29.522 874 HD2 PRO 44 HD2 PRO 44 11.182 18.542 27.665 875 HD3 PRO 44 HD3 PRO 44 9.962 19.852 27.694 876 H GLY 45 H GLY 45 14.034 22.822 25.328 877 HA2 GLY 45 HA2 GLY 45 16.316 22.867 25.063 878 HA3 GLY 45 HA3 GLY 45 16.464 21.347 25.933 879 H LEU 46 H LEU 46 14.270 21.132 23.288 880 HA LEU 46 HA LEU 46 16.371 20.006 21.483 881 HB2 LEU 46 HB2 LEU 46 13.403 19.367 21.568 882 HB3 LEU 46 HB3 LEU 46 14.571 18.710 20.428 883 HG LEU 46 HG LEU 46 14.388 18.127 23.400 884 HD11 LEU 46 HD11 LEU 46 14.273 16.322 20.948 885 HD12 LEU 46 HD12 LEU 46 13.985 15.861 22.643 886 HD13 LEU 46 HD13 LEU 46 12.857 16.935 21.809 887 HD21 LEU 46 HD21 LEU 46 16.797 18.224 22.863 888 HD22 LEU 46 HD22 LEU 46 16.298 16.545 23.034 889 HD23 LEU 46 HD23 LEU 46 16.530 17.223 21.410 890 H ALA 47 H ALA 47 15.997 20.204 19.214 891 HA ALA 47 HA ALA 47 14.147 22.268 18.201 892 HB1 ALA 47 HB1 ALA 47 15.930 23.249 16.780 893 HB2 ALA 47 HB2 ALA 47 16.213 23.513 18.508 894 HB3 ALA 47 HB3 ALA 47 17.140 22.267 17.638 895 H ILE 48 H ILE 48 13.808 22.041 15.852 896 HA ILE 48 HA ILE 48 13.754 19.237 14.992 897 HB ILE 48 HB ILE 48 12.888 21.753 13.535 898 HG12 ILE 48 HG12 ILE 48 11.103 19.780 15.008 899 HG13 ILE 48 HG13 ILE 48 11.642 21.307 15.706 900 HG21 ILE 48 HG21 ILE 48 13.317 19.856 11.994 901 HG22 ILE 48 HG22 ILE 48 12.286 18.802 12.993 902 HG23 ILE 48 HG23 ILE 48 11.585 20.164 12.094 903 HD11 ILE 48 HD11 ILE 48 9.836 20.980 13.276 904 HD12 ILE 48 HD12 ILE 48 9.459 21.704 14.851 905 HD13 ILE 48 HD13 ILE 48 10.579 22.527 13.773 906 H GLY 49 H GLY 49 15.420 18.259 13.956 907 HA2 GLY 49 HA2 GLY 49 17.662 19.901 12.879 908 HA3 GLY 49 HA3 GLY 49 17.700 18.218 13.382 909 H ARG 50 H ARG 50 15.603 17.122 11.897 910 HA ARG 50 HA ARG 50 16.150 17.702 9.029 911 HB2 ARG 50 HB2 ARG 50 16.667 15.002 10.368 912 HB3 ARG 50 HB3 ARG 50 16.348 15.183 8.655 913 HG2 ARG 50 HG2 ARG 50 18.579 15.182 8.531 914 HG3 ARG 50 HG3 ARG 50 18.305 16.914 8.671 915 HD2 ARG 50 HD2 ARG 50 18.844 16.739 11.148 916 HD3 ARG 50 HD3 ARG 50 19.085 15.008 10.927 917 HE ARG 50 HE ARG 50 21.137 15.388 9.929 918 HH11 ARG 50 HH11 ARG 50 19.510 18.558 10.029 919 HH12 ARG 50 HH12 ARG 50 20.934 19.304 9.299 920 HH21 ARG 50 HH21 ARG 50 22.856 16.598 9.060 921 HH22 ARG 50 HH22 ARG 50 22.572 18.318 8.748 922 H VAL 51 H VAL 51 14.590 17.196 7.660 923 HA VAL 51 HA VAL 51 12.083 15.848 8.564 924 HB VAL 51 HB VAL 51 12.283 18.502 7.094 925 HG11 VAL 51 HG11 VAL 51 9.817 16.900 7.894 926 HG12 VAL 51 HG12 VAL 51 9.813 18.540 7.231 927 HG13 VAL 51 HG13 VAL 51 10.384 17.207 6.233 928 HG21 VAL 51 HG21 VAL 51 12.650 18.748 9.541 929 HG22 VAL 51 HG22 VAL 51 11.155 19.494 8.992 930 HG23 VAL 51 HG23 VAL 51 11.104 17.925 9.838 931 H ASP 52 H ASP 52 12.116 14.082 7.350 932 HA ASP 52 HA ASP 52 12.728 14.219 4.423 933 HB2 ASP 52 HB2 ASP 52 12.563 11.824 6.277 934 HB3 ASP 52 HB3 ASP 52 12.864 11.769 4.539 935 H LEU 53 H LEU 53 10.683 15.350 4.113 936 HA LEU 53 HA LEU 53 8.113 14.305 4.735 937 HB2 LEU 53 HB2 LEU 53 9.180 16.565 3.421 938 HB3 LEU 53 HB3 LEU 53 8.322 15.744 2.146 939 HG LEU 53 HG LEU 53 6.923 17.392 3.133 940 HD11 LEU 53 HD11 LEU 53 4.947 16.175 3.787 941 HD12 LEU 53 HD12 LEU 53 5.797 15.258 2.532 942 HD13 LEU 53 HD13 LEU 53 5.900 14.743 4.229 943 HD21 LEU 53 HD21 LEU 53 6.255 17.462 5.479 944 HD22 LEU 53 HD22 LEU 53 7.274 16.057 5.851 945 HD23 LEU 53 HD23 LEU 53 8.016 17.592 5.341 946 H ARG 54 H ARG 54 10.302 13.619 2.061 947 HA ARG 54 HA ARG 54 8.791 12.024 0.334 948 HB2 ARG 54 HB2 ARG 54 11.278 12.756 0.251 949 HB3 ARG 54 HB3 ARG 54 11.617 11.355 1.267 950 HG2 ARG 54 HG2 ARG 54 10.433 9.961 -0.587 951 HG3 ARG 54 HG3 ARG 54 10.551 11.416 -1.583 952 HD2 ARG 54 HD2 ARG 54 12.847 9.885 -0.292 953 HD3 ARG 54 HD3 ARG 54 12.379 9.806 -1.978 954 HE ARG 54 HE ARG 54 13.519 12.242 -0.602 955 HH11 ARG 54 HH11 ARG 54 13.226 10.442 -3.633 956 HH12 ARG 54 HH12 ARG 54 14.369 11.497 -4.422 957 HH21 ARG 54 HH21 ARG 54 14.955 13.431 -1.656 958 HH22 ARG 54 HH22 ARG 54 15.311 13.134 -3.349 959 H SER 55 H SER 55 10.313 11.054 3.374 960 HA SER 55 HA SER 55 9.313 8.262 3.147 961 HB2 SER 55 HB2 SER 55 11.729 8.755 3.594 962 HB3 SER 55 HB3 SER 55 11.254 9.548 5.108 963 HG SER 55 HG SER 55 11.020 6.800 4.385 964 H GLY 56 H GLY 56 8.709 11.197 4.953 965 HA2 GLY 56 HA2 GLY 56 7.051 11.703 6.507 966 HA3 GLY 56 HA3 GLY 56 6.538 10.013 6.562 967 H VAL 57 H VAL 57 9.791 11.486 7.140 968 HA VAL 57 HA VAL 57 9.704 10.548 9.982 969 HB VAL 57 HB VAL 57 12.055 10.135 8.103 970 HG11 VAL 57 HG11 VAL 57 13.015 8.841 10.003 971 HG12 VAL 57 HG12 VAL 57 12.810 10.544 10.400 972 HG13 VAL 57 HG13 VAL 57 11.655 9.337 11.029 973 HG21 VAL 57 HG21 VAL 57 10.284 8.490 7.622 974 HG22 VAL 57 HG22 VAL 57 11.619 7.708 8.463 975 HG23 VAL 57 HG23 VAL 57 10.138 8.104 9.352 976 H ILE 58 H ILE 58 10.478 11.887 11.457 977 HA ILE 58 HA ILE 58 11.998 14.332 10.641 978 HB ILE 58 HB ILE 58 9.627 14.129 12.516 979 HG12 ILE 58 HG12 ILE 58 10.002 15.774 9.965 980 HG13 ILE 58 HG13 ILE 58 9.113 14.260 10.059 981 HG21 ILE 58 HG21 ILE 58 9.940 16.570 12.922 982 HG22 ILE 58 HG22 ILE 58 11.294 15.645 13.517 983 HG23 ILE 58 HG23 ILE 58 11.438 16.537 11.982 984 HD11 ILE 58 HD11 ILE 58 8.307 16.843 11.419 985 HD12 ILE 58 HD12 ILE 58 7.530 15.998 10.083 986 HD13 ILE 58 HD13 ILE 58 7.529 15.252 11.690 987 H SER 59 H SER 59 13.748 14.803 11.872 988 HA SER 59 HA SER 59 14.238 13.167 14.335 989 HB2 SER 59 HB2 SER 59 16.321 14.097 12.356 990 HB3 SER 59 HB3 SER 59 16.591 13.144 13.822 991 HG SER 59 HG SER 59 16.498 11.810 11.958 992 H LEU 60 H LEU 60 14.565 14.219 16.131 993 HA LEU 60 HA LEU 60 15.029 17.150 16.093 994 HB2 LEU 60 HB2 LEU 60 14.407 15.384 18.461 995 HB3 LEU 60 HB3 LEU 60 14.369 17.146 18.397 996 HG LEU 60 HG LEU 60 12.441 15.202 17.048 997 HD11 LEU 60 HD11 LEU 60 12.095 15.615 19.448 998 HD12 LEU 60 HD12 LEU 60 12.049 17.363 19.159 999 HD13 LEU 60 HD13 LEU 60 10.787 16.310 18.487 1000 HD21 LEU 60 HD21 LEU 60 12.542 18.237 16.814 1001 HD22 LEU 60 HD22 LEU 60 12.763 17.076 15.490 1002 HD23 LEU 60 HD23 LEU 60 11.188 17.206 16.280 1003 H ILE 61 H ILE 61 16.569 18.156 17.391 1004 HA ILE 61 HA ILE 61 18.960 16.571 18.228 1005 HB ILE 61 HB ILE 61 20.454 18.207 17.260 1006 HG12 ILE 61 HG12 ILE 61 19.167 19.695 15.350 1007 HG13 ILE 61 HG13 ILE 61 17.968 19.732 16.644 1008 HG21 ILE 61 HG21 ILE 61 19.857 16.229 15.955 1009 HG22 ILE 61 HG22 ILE 61 18.557 17.135 15.158 1010 HG23 ILE 61 HG23 ILE 61 20.248 17.615 14.921 1011 HD11 ILE 61 HD11 ILE 61 20.887 20.552 16.949 1012 HD12 ILE 61 HD12 ILE 61 19.527 21.658 16.692 1013 HD13 ILE 61 HD13 ILE 61 19.603 20.710 18.177 1014 H GLU 62 H GLU 62 20.402 17.744 19.654 1015 HA GLU 62 HA GLU 62 18.892 19.051 21.795 1016 HB2 GLU 62 HB2 GLU 62 21.836 18.296 21.567 1017 HB3 GLU 62 HB3 GLU 62 21.072 19.013 22.985 1018 HG2 GLU 62 HG2 GLU 62 19.381 17.008 22.817 1019 HG3 GLU 62 HG3 GLU 62 20.600 16.257 21.797 1020 H GLU 63 H GLU 63 18.559 21.124 21.991 1021 HA GLU 63 HA GLU 63 20.094 23.131 20.456 1022 HB2 GLU 63 HB2 GLU 63 17.696 23.046 20.186 1023 HB3 GLU 63 HB3 GLU 63 17.432 23.104 21.921 1024 HG2 GLU 63 HG2 GLU 63 16.911 25.235 20.786 1025 HG3 GLU 63 HG3 GLU 63 18.103 25.368 22.073 1026 H GLN 64 H GLN 64 21.156 24.902 21.401 1027 HA GLN 64 HA GLN 64 22.020 24.478 24.184 1028 HB2 GLN 64 HB2 GLN 64 23.229 26.188 21.966 1029 HB3 GLN 64 HB3 GLN 64 23.872 26.025 23.594 1030 HG2 GLN 64 HG2 GLN 64 25.151 24.575 22.209 1031 HG3 GLN 64 HG3 GLN 64 24.151 23.584 23.263 1032 HE21 GLN 64 HE21 GLN 64 24.045 21.722 21.953 1033 HE22 GLN 64 HE22 GLN 64 23.149 21.730 20.443 1034 H ASN 65 H ASN 65 19.575 26.248 23.023 1035 HA ASN 65 HA ASN 65 19.939 28.725 24.452 1036 HB2 ASN 65 HB2 ASN 65 17.823 27.452 22.769 1037 HB3 ASN 65 HB3 ASN 65 17.237 28.565 23.971 1038 HD21 ASN 65 HD21 ASN 65 19.261 28.284 21.068 1039 HD22 ASN 65 HD22 ASN 65 19.405 30.041 20.844 1040 H ARG 66 H ARG 66 19.769 25.848 25.835 1041 HA ARG 66 HA ARG 66 17.734 25.849 27.816 1042 HB2 ARG 66 HB2 ARG 66 20.543 24.661 27.833 1043 HB3 ARG 66 HB3 ARG 66 19.275 24.252 28.998 1044 HG2 ARG 66 HG2 ARG 66 17.879 23.276 27.267 1045 HG3 ARG 66 HG3 ARG 66 18.976 23.845 25.997 1046 HD2 ARG 66 HD2 ARG 66 20.793 22.420 27.005 1047 HD3 ARG 66 HD3 ARG 66 19.575 21.739 28.100 1048 HE ARG 66 HE ARG 66 18.791 21.609 25.294 1049 HH11 ARG 66 HH11 ARG 66 20.947 19.889 27.496 1050 HH12 ARG 66 HH12 ARG 66 20.810 18.435 26.499 1051 HH21 ARG 66 HH21 ARG 66 18.527 19.645 24.356 1052 HH22 ARG 66 HH22 ARG 66 19.548 18.297 24.909 Start of MODEL 5 1 H1 GLY -3 H1 GLY -3 -4.267 10.162 -6.434 2 H2 GLY -3 H2 GLY -3 -5.627 10.276 -5.527 3 H3 GLY -3 H3 GLY -3 -4.484 9.168 -5.147 4 HA2 GLY -3 HA2 GLY -3 -4.127 12.092 -5.006 5 HA3 GLY -3 HA3 GLY -3 -4.385 11.018 -3.617 6 HA PRO -2 HA PRO -2 0.155 11.715 -4.310 7 HB2 PRO -2 HB2 PRO -2 0.068 11.724 -1.293 8 HB3 PRO -2 HB3 PRO -2 1.016 12.761 -2.399 9 HG2 PRO -2 HG2 PRO -2 -1.216 13.736 -1.226 10 HG3 PRO -2 HG3 PRO -2 -0.917 14.048 -2.966 11 HD2 PRO -2 HD2 PRO -2 -2.679 11.916 -1.712 12 HD3 PRO -2 HD3 PRO -2 -3.059 13.048 -3.033 13 H GLY -1 H GLY -1 -1.448 9.381 -2.167 14 HA2 GLY -1 HA2 GLY -1 -1.021 7.139 -1.762 15 HA3 GLY -1 HA3 GLY -1 0.169 7.169 -3.066 16 H SER 0 H SER 0 1.855 6.093 -2.132 17 HA SER 0 HA SER 0 2.752 6.352 0.574 18 HB2 SER 0 HB2 SER 0 4.285 5.395 -1.863 19 HB3 SER 0 HB3 SER 0 4.691 5.057 -0.169 20 HG SER 0 HG SER 0 3.519 3.339 -1.196 21 H MET 1 H MET 1 3.389 8.382 -2.192 22 HA MET 1 HA MET 1 5.808 9.616 -1.013 23 HB2 MET 1 HB2 MET 1 4.331 9.962 -3.647 24 HB3 MET 1 HB3 MET 1 5.584 11.072 -3.123 25 HG2 MET 1 HG2 MET 1 5.954 8.073 -3.458 26 HG3 MET 1 HG3 MET 1 6.403 9.289 -4.653 27 HE1 MET 1 HE1 MET 1 9.465 11.099 -3.067 28 HE2 MET 1 HE2 MET 1 8.354 10.982 -4.443 29 HE3 MET 1 HE3 MET 1 7.784 11.648 -2.900 30 H CYS 2 H CYS 2 5.916 11.678 -0.310 31 HA CYS 2 HA CYS 2 3.552 13.447 -0.342 32 HB2 CYS 2 HB2 CYS 2 5.090 12.696 2.170 33 HB3 CYS 2 HB3 CYS 2 3.948 14.032 2.061 34 H MET 3 H MET 3 4.122 15.682 -0.104 35 HA MET 3 HA MET 3 6.905 16.482 0.214 36 HB2 MET 3 HB2 MET 3 7.147 17.638 -1.906 37 HB3 MET 3 HB3 MET 3 6.890 15.924 -2.191 38 HG2 MET 3 HG2 MET 3 4.480 16.402 -2.650 39 HG3 MET 3 HG3 MET 3 4.851 18.137 -2.554 40 HE1 MET 3 HE1 MET 3 3.427 16.767 -5.052 41 HE2 MET 3 HE2 MET 3 3.821 18.503 -4.977 42 HE3 MET 3 HE3 MET 3 4.293 17.550 -6.390 43 H ALA 4 H ALA 4 7.127 18.499 0.978 44 HA ALA 4 HA ALA 4 4.651 19.978 1.693 45 HB1 ALA 4 HB1 ALA 4 7.503 20.182 2.742 46 HB2 ALA 4 HB2 ALA 4 6.080 21.042 3.386 47 HB3 ALA 4 HB3 ALA 4 6.166 19.290 3.509 48 H LYS 5 H LYS 5 4.939 22.389 1.869 49 HA LYS 5 HA LYS 5 6.946 23.534 -0.019 50 HB2 LYS 5 HB2 LYS 5 5.669 25.536 -0.288 51 HB3 LYS 5 HB3 LYS 5 4.694 24.154 -0.786 52 HG2 LYS 5 HG2 LYS 5 3.417 24.270 1.326 53 HG3 LYS 5 HG3 LYS 5 4.458 25.590 1.906 54 HD2 LYS 5 HD2 LYS 5 3.784 26.962 -0.061 55 HD3 LYS 5 HD3 LYS 5 2.619 25.696 -0.511 56 HE2 LYS 5 HE2 LYS 5 1.403 26.003 1.579 57 HE3 LYS 5 HE3 LYS 5 2.655 27.084 2.202 58 HZ1 LYS 5 HZ1 LYS 5 0.782 28.348 1.333 59 HZ2 LYS 5 HZ2 LYS 5 2.115 28.648 0.427 60 HZ3 LYS 5 HZ3 LYS 5 0.940 27.670 -0.148 61 H VAL 6 H VAL 6 8.241 25.134 0.715 62 HA VAL 6 HA VAL 6 8.421 25.511 3.693 63 HB VAL 6 HB VAL 6 10.533 25.753 1.514 64 HG11 VAL 6 HG11 VAL 6 12.132 26.190 3.367 65 HG12 VAL 6 HG12 VAL 6 10.988 27.516 3.143 66 HG13 VAL 6 HG13 VAL 6 10.772 26.367 4.490 67 HG21 VAL 6 HG21 VAL 6 11.628 23.933 2.666 68 HG22 VAL 6 HG22 VAL 6 10.416 23.965 3.963 69 HG23 VAL 6 HG23 VAL 6 9.973 23.432 2.329 70 H VAL 7 H VAL 7 8.323 27.547 4.566 71 HA VAL 7 HA VAL 7 8.449 29.880 2.735 72 HB VAL 7 HB VAL 7 6.085 29.423 3.155 73 HG11 VAL 7 HG11 VAL 7 5.047 29.805 5.325 74 HG12 VAL 7 HG12 VAL 7 6.190 28.467 5.438 75 HG13 VAL 7 HG13 VAL 7 6.632 30.069 6.080 76 HG21 VAL 7 HG21 VAL 7 5.421 31.670 3.762 77 HG22 VAL 7 HG22 VAL 7 7.002 32.001 4.499 78 HG23 VAL 7 HG23 VAL 7 6.860 31.741 2.738 79 H LEU 8 H LEU 8 9.522 31.607 3.391 80 HA LEU 8 HA LEU 8 10.543 31.949 6.121 81 HB2 LEU 8 HB2 LEU 8 12.876 31.693 5.538 82 HB3 LEU 8 HB3 LEU 8 12.003 30.224 5.160 83 HG LEU 8 HG LEU 8 11.904 31.403 2.702 84 HD11 LEU 8 HD11 LEU 8 14.571 32.292 3.929 85 HD12 LEU 8 HD12 LEU 8 14.147 32.375 2.211 86 HD13 LEU 8 HD13 LEU 8 13.284 33.381 3.375 87 HD21 LEU 8 HD21 LEU 8 13.768 30.002 2.051 88 HD22 LEU 8 HD22 LEU 8 14.302 29.832 3.735 89 HD23 LEU 8 HD23 LEU 8 12.753 29.136 3.206 90 H THR 9 H THR 9 12.038 33.907 6.226 91 HA THR 9 HA THR 9 11.579 35.861 4.013 92 HB THR 9 HB THR 9 11.454 36.682 6.935 93 HG1 THR 9 HG1 THR 9 9.698 35.426 6.461 94 HG21 THR 9 HG21 THR 9 10.662 38.107 4.341 95 HG22 THR 9 HG22 THR 9 10.460 38.743 5.991 96 HG23 THR 9 HG23 THR 9 12.086 38.479 5.339 97 H LYS 10 H LYS 10 13.389 36.771 3.310 98 HA LYS 10 HA LYS 10 15.984 36.044 4.397 99 HB2 LYS 10 HB2 LYS 10 15.133 37.976 2.187 100 HB3 LYS 10 HB3 LYS 10 16.801 37.548 2.550 101 HG2 LYS 10 HG2 LYS 10 16.310 35.158 2.053 102 HG3 LYS 10 HG3 LYS 10 14.640 35.589 1.665 103 HD2 LYS 10 HD2 LYS 10 15.835 35.394 -0.405 104 HD3 LYS 10 HD3 LYS 10 15.471 37.111 -0.141 105 HE2 LYS 10 HE2 LYS 10 17.809 37.405 0.758 106 HE3 LYS 10 HE3 LYS 10 18.139 35.709 0.372 107 HZ1 LYS 10 HZ1 LYS 10 18.891 37.216 -1.376 108 HZ2 LYS 10 HZ2 LYS 10 17.706 36.256 -1.971 109 HZ3 LYS 10 HZ3 LYS 10 17.400 37.823 -1.581 110 H ALA 11 H ALA 11 17.675 37.528 4.898 111 HA ALA 11 HA ALA 11 17.128 39.530 6.872 112 HB1 ALA 11 HB1 ALA 11 19.606 39.016 5.155 113 HB2 ALA 11 HB2 ALA 11 19.563 39.974 6.639 114 HB3 ALA 11 HB3 ALA 11 19.229 38.233 6.714 115 H ASP 12 H ASP 12 17.395 39.712 3.377 116 HA ASP 12 HA ASP 12 17.568 42.556 3.041 117 HB2 ASP 12 HB2 ASP 12 16.429 40.372 1.247 118 HB3 ASP 12 HB3 ASP 12 16.882 41.991 0.743 119 H GLY 13 H GLY 13 15.030 40.766 4.373 120 HA2 GLY 13 HA2 GLY 13 12.884 41.394 4.986 121 HA3 GLY 13 HA3 GLY 13 12.990 42.832 3.973 122 H GLY 14 H GLY 14 13.925 40.097 2.203 123 HA2 GLY 14 HA2 GLY 14 11.509 40.197 0.532 124 HA3 GLY 14 HA3 GLY 14 12.975 39.285 0.225 125 H ARG 15 H ARG 15 9.765 38.924 0.835 126 HA ARG 15 HA ARG 15 9.795 36.488 2.464 127 HB2 ARG 15 HB2 ARG 15 7.839 38.129 2.165 128 HB3 ARG 15 HB3 ARG 15 7.633 37.474 0.547 129 HG2 ARG 15 HG2 ARG 15 6.053 36.405 1.999 130 HG3 ARG 15 HG3 ARG 15 7.261 35.184 1.589 131 HD2 ARG 15 HD2 ARG 15 8.325 35.419 3.760 132 HD3 ARG 15 HD3 ARG 15 7.360 36.862 4.125 133 HE ARG 15 HE ARG 15 5.680 34.565 3.616 134 HH11 ARG 15 HH11 ARG 15 7.691 35.956 6.121 135 HH12 ARG 15 HH12 ARG 15 6.715 35.279 7.408 136 HH21 ARG 15 HH21 ARG 15 4.506 33.691 5.304 137 HH22 ARG 15 HH22 ARG 15 5.001 33.983 6.943 138 H VAL 16 H VAL 16 9.898 34.391 1.815 139 HA VAL 16 HA VAL 16 10.183 33.746 -1.092 140 HB VAL 16 HB VAL 16 12.105 33.107 1.160 141 HG11 VAL 16 HG11 VAL 16 13.394 31.740 -0.476 142 HG12 VAL 16 HG12 VAL 16 11.836 31.015 -0.092 143 HG13 VAL 16 HG13 VAL 16 12.058 31.882 -1.630 144 HG21 VAL 16 HG21 VAL 16 12.513 34.439 -1.546 145 HG22 VAL 16 HG22 VAL 16 12.559 35.231 0.042 146 HG23 VAL 16 HG23 VAL 16 13.795 34.049 -0.368 147 H GLU 17 H GLU 17 9.298 31.895 -1.726 148 HA GLU 17 HA GLU 17 8.334 29.905 0.234 149 HB2 GLU 17 HB2 GLU 17 6.486 31.482 -0.091 150 HB3 GLU 17 HB3 GLU 17 6.625 31.316 -1.851 151 HG2 GLU 17 HG2 GLU 17 5.991 28.951 -1.700 152 HG3 GLU 17 HG3 GLU 17 5.940 29.055 0.066 153 H ILE 18 H ILE 18 8.641 27.865 -0.440 154 HA ILE 18 HA ILE 18 9.538 27.363 -3.266 155 HB ILE 18 HB ILE 18 10.760 26.301 -0.695 156 HG12 ILE 18 HG12 ILE 18 12.122 28.078 -2.766 157 HG13 ILE 18 HG13 ILE 18 11.331 28.737 -1.341 158 HG21 ILE 18 HG21 ILE 18 11.617 25.811 -3.585 159 HG22 ILE 18 HG22 ILE 18 12.410 25.174 -2.135 160 HG23 ILE 18 HG23 ILE 18 10.796 24.626 -2.541 161 HD11 ILE 18 HD11 ILE 18 12.792 27.425 0.148 162 HD12 ILE 18 HD12 ILE 18 13.679 26.819 -1.278 163 HD13 ILE 18 HD13 ILE 18 13.684 28.548 -0.900 164 H GLY 19 H GLY 19 8.319 25.875 -4.218 165 HA2 GLY 19 HA2 GLY 19 6.519 24.117 -2.649 166 HA3 GLY 19 HA3 GLY 19 6.454 24.422 -4.379 167 H ASP 20 H ASP 20 6.115 21.939 -3.547 168 HA ASP 20 HA ASP 20 6.696 19.771 -3.808 169 HB2 ASP 20 HB2 ASP 20 8.497 20.809 -6.006 170 HB3 ASP 20 HB3 ASP 20 7.793 19.201 -5.869 171 H VAL 21 H VAL 21 8.117 20.833 -1.673 172 HA VAL 21 HA VAL 21 10.932 20.023 -1.804 173 HB VAL 21 HB VAL 21 9.228 21.085 0.459 174 HG11 VAL 21 HG11 VAL 21 11.368 21.459 1.629 175 HG12 VAL 21 HG12 VAL 21 11.023 19.749 1.440 176 HG13 VAL 21 HG13 VAL 21 12.213 20.536 0.374 177 HG21 VAL 21 HG21 VAL 21 10.612 23.115 0.108 178 HG22 VAL 21 HG22 VAL 21 11.394 22.339 -1.284 179 HG23 VAL 21 HG23 VAL 21 9.656 22.722 -1.319 180 H LEU 22 H LEU 22 11.704 18.050 -1.446 181 HA LEU 22 HA LEU 22 10.019 15.949 -0.156 182 HB2 LEU 22 HB2 LEU 22 12.775 15.849 -1.457 183 HB3 LEU 22 HB3 LEU 22 11.961 14.474 -0.714 184 HG LEU 22 HG LEU 22 10.982 15.990 -3.167 185 HD11 LEU 22 HD11 LEU 22 12.194 13.219 -2.764 186 HD12 LEU 22 HD12 LEU 22 11.529 13.825 -4.298 187 HD13 LEU 22 HD13 LEU 22 12.957 14.594 -3.589 188 HD21 LEU 22 HD21 LEU 22 9.327 14.162 -3.395 189 HD22 LEU 22 HD22 LEU 22 9.824 13.511 -1.809 190 HD23 LEU 22 HD23 LEU 22 9.049 15.097 -1.925 191 H GLU 23 H GLU 23 13.001 17.843 0.518 192 HA GLU 23 HA GLU 23 12.715 17.091 3.333 193 HB2 GLU 23 HB2 GLU 23 14.969 16.305 3.648 194 HB3 GLU 23 HB3 GLU 23 14.128 15.278 2.491 195 HG2 GLU 23 HG2 GLU 23 15.366 16.200 0.639 196 HG3 GLU 23 HG3 GLU 23 15.999 17.526 1.624 197 H VAL 24 H VAL 24 13.853 18.232 4.828 198 HA VAL 24 HA VAL 24 15.275 20.709 4.032 199 HB VAL 24 HB VAL 24 13.033 20.670 6.089 200 HG11 VAL 24 HG11 VAL 24 13.342 23.153 6.079 201 HG12 VAL 24 HG12 VAL 24 14.746 22.295 6.700 202 HG13 VAL 24 HG13 VAL 24 14.779 22.949 5.053 203 HG21 VAL 24 HG21 VAL 24 13.083 21.888 3.310 204 HG22 VAL 24 HG22 VAL 24 12.004 20.602 3.895 205 HG23 VAL 24 HG23 VAL 24 11.859 22.232 4.553 206 H ARG 25 H ARG 25 16.972 21.151 5.391 207 HA ARG 25 HA ARG 25 17.174 19.756 8.035 208 HB2 ARG 25 HB2 ARG 25 19.475 19.966 6.074 209 HB3 ARG 25 HB3 ARG 25 19.452 19.118 7.620 210 HG2 ARG 25 HG2 ARG 25 17.759 17.499 6.650 211 HG3 ARG 25 HG3 ARG 25 17.952 18.308 5.086 212 HD2 ARG 25 HD2 ARG 25 20.073 16.811 6.661 213 HD3 ARG 25 HD3 ARG 25 19.344 16.326 5.128 214 HE ARG 25 HE ARG 25 21.396 18.433 5.565 215 HH11 ARG 25 HH11 ARG 25 19.268 17.055 3.069 216 HH12 ARG 25 HH12 ARG 25 20.213 17.836 1.829 217 HH21 ARG 25 HH21 ARG 25 22.360 19.354 4.065 218 HH22 ARG 25 HH22 ARG 25 21.966 19.129 2.348 219 H ALA 26 H ALA 26 18.054 20.962 9.632 220 HA ALA 26 HA ALA 26 19.301 23.598 8.961 221 HB1 ALA 26 HB1 ALA 26 18.956 24.163 11.306 222 HB2 ALA 26 HB2 ALA 26 17.424 23.750 10.516 223 HB3 ALA 26 HB3 ALA 26 18.218 22.571 11.601 224 H GLU 27 H GLU 27 21.419 23.686 8.929 225 HA GLU 27 HA GLU 27 23.003 21.350 9.788 226 HB2 GLU 27 HB2 GLU 27 23.736 23.696 8.012 227 HB3 GLU 27 HB3 GLU 27 24.684 22.222 8.215 228 HG2 GLU 27 HG2 GLU 27 21.865 22.280 7.026 229 HG3 GLU 27 HG3 GLU 27 23.338 22.414 6.085 230 H GLY 28 H GLY 28 22.129 23.739 11.544 231 HA2 GLY 28 HA2 GLY 28 22.953 24.612 13.532 232 HA3 GLY 28 HA3 GLY 28 24.477 23.755 13.262 233 H GLY 29 H GLY 29 22.874 26.221 11.264 234 HA2 GLY 29 HA2 GLY 29 24.142 28.565 11.830 235 HA3 GLY 29 HA3 GLY 29 25.338 27.732 10.827 236 H ALA 30 H ALA 30 23.004 26.422 9.336 237 HA ALA 30 HA ALA 30 21.591 28.541 7.915 238 HB1 ALA 30 HB1 ALA 30 22.561 27.931 5.719 239 HB2 ALA 30 HB2 ALA 30 23.854 28.506 6.798 240 HB3 ALA 30 HB3 ALA 30 23.643 26.763 6.504 241 H VAL 31 H VAL 31 19.961 27.608 6.499 242 HA VAL 31 HA VAL 31 19.419 24.698 6.956 243 HB VAL 31 HB VAL 31 17.185 25.031 6.060 244 HG11 VAL 31 HG11 VAL 31 16.222 26.247 7.949 245 HG12 VAL 31 HG12 VAL 31 17.537 25.183 8.477 246 HG13 VAL 31 HG13 VAL 31 17.822 26.922 8.337 247 HG21 VAL 31 HG21 VAL 31 16.272 27.206 5.610 248 HG22 VAL 31 HG22 VAL 31 17.793 27.994 6.067 249 HG23 VAL 31 HG23 VAL 31 17.688 27.003 4.595 250 H ARG 32 H ARG 32 18.861 23.346 5.257 251 HA ARG 32 HA ARG 32 19.418 24.216 2.459 252 HB2 ARG 32 HB2 ARG 32 20.457 21.676 3.777 253 HB3 ARG 32 HB3 ARG 32 20.484 21.994 2.040 254 HG2 ARG 32 HG2 ARG 32 21.916 23.990 2.397 255 HG3 ARG 32 HG3 ARG 32 21.885 23.711 4.142 256 HD2 ARG 32 HD2 ARG 32 23.957 22.946 3.358 257 HD3 ARG 32 HD3 ARG 32 23.010 21.524 3.807 258 HE ARG 32 HE ARG 32 22.580 21.906 1.039 259 HH11 ARG 32 HH11 ARG 32 25.401 21.174 3.020 260 HH12 ARG 32 HH12 ARG 32 26.191 20.365 1.693 261 HH21 ARG 32 HH21 ARG 32 23.599 20.949 -0.508 262 HH22 ARG 32 HH22 ARG 32 25.211 20.254 -0.316 263 H VAL 33 H VAL 33 17.966 23.580 1.045 264 HA VAL 33 HA VAL 33 15.655 21.822 1.835 265 HB VAL 33 HB VAL 33 15.664 24.479 0.320 266 HG11 VAL 33 HG11 VAL 33 13.193 24.306 0.384 267 HG12 VAL 33 HG12 VAL 33 13.920 23.047 -0.610 268 HG13 VAL 33 HG13 VAL 33 13.347 22.659 1.031 269 HG21 VAL 33 HG21 VAL 33 14.451 23.814 3.024 270 HG22 VAL 33 HG22 VAL 33 15.904 24.798 2.775 271 HG23 VAL 33 HG23 VAL 33 14.354 25.367 2.173 272 H THR 34 H THR 34 15.094 20.291 0.360 273 HA THR 34 HA THR 34 16.260 20.464 -2.410 274 HB THR 34 HB THR 34 16.111 17.964 -0.704 275 HG1 THR 34 HG1 THR 34 17.762 19.374 -0.092 276 HG21 THR 34 HG21 THR 34 17.505 16.981 -2.535 277 HG22 THR 34 HG22 THR 34 15.873 17.374 -3.065 278 HG23 THR 34 HG23 THR 34 17.231 18.441 -3.506 279 H THR 35 H THR 35 14.947 20.156 -4.050 280 HA THR 35 HA THR 35 12.083 19.646 -3.572 281 HB THR 35 HB THR 35 11.734 20.397 -5.829 282 HG1 THR 35 HG1 THR 35 14.523 20.714 -6.037 283 HG21 THR 35 HG21 THR 35 12.532 22.661 -5.728 284 HG22 THR 35 HG22 THR 35 12.039 22.150 -4.105 285 HG23 THR 35 HG23 THR 35 13.769 22.249 -4.516 286 H LEU 36 H LEU 36 10.826 18.418 -5.130 287 HA LEU 36 HA LEU 36 11.334 15.709 -5.501 288 HB2 LEU 36 HB2 LEU 36 9.148 16.809 -5.598 289 HB3 LEU 36 HB3 LEU 36 9.633 17.715 -7.033 290 HG LEU 36 HG LEU 36 9.684 15.636 -8.363 291 HD11 LEU 36 HD11 LEU 36 10.157 13.962 -6.610 292 HD12 LEU 36 HD12 LEU 36 8.597 14.304 -5.842 293 HD13 LEU 36 HD13 LEU 36 8.665 13.573 -7.463 294 HD21 LEU 36 HD21 LEU 36 7.086 16.026 -6.860 295 HD22 LEU 36 HD22 LEU 36 7.644 17.028 -8.208 296 HD23 LEU 36 HD23 LEU 36 7.276 15.313 -8.479 297 H PHE 37 H PHE 37 12.475 18.337 -7.537 298 HA PHE 37 HA PHE 37 13.410 16.434 -9.629 299 HB2 PHE 37 HB2 PHE 37 13.060 19.442 -9.784 300 HB3 PHE 37 HB3 PHE 37 13.496 18.367 -11.107 301 HD1 PHE 37 HD1 PHE 37 11.856 16.434 -11.695 302 HD2 PHE 37 HD2 PHE 37 10.740 19.841 -9.298 303 HE1 PHE 37 HE1 PHE 37 9.460 15.911 -12.058 304 HE2 PHE 37 HE2 PHE 37 8.341 19.314 -9.661 305 HZ PHE 37 HZ PHE 37 7.693 17.334 -11.032 306 H ASP 38 H ASP 38 14.708 17.119 -6.937 307 HA ASP 38 HA ASP 38 16.728 17.295 -6.031 308 HB2 ASP 38 HB2 ASP 38 17.902 16.584 -8.731 309 HB3 ASP 38 HB3 ASP 38 18.677 16.444 -7.164 310 H GLU 39 H GLU 39 15.651 19.755 -7.634 311 HA GLU 39 HA GLU 39 18.055 21.450 -7.732 312 HB2 GLU 39 HB2 GLU 39 15.112 22.239 -7.596 313 HB3 GLU 39 HB3 GLU 39 16.456 23.332 -7.874 314 HG2 GLU 39 HG2 GLU 39 15.543 21.083 -9.711 315 HG3 GLU 39 HG3 GLU 39 15.318 22.805 -9.977 316 H GLU 40 H GLU 40 18.674 22.951 -6.187 317 HA GLU 40 HA GLU 40 17.755 22.397 -3.396 318 HB2 GLU 40 HB2 GLU 40 19.785 21.165 -3.893 319 HB3 GLU 40 HB3 GLU 40 20.582 22.636 -4.471 320 HG2 GLU 40 HG2 GLU 40 20.534 23.622 -2.240 321 HG3 GLU 40 HG3 GLU 40 19.580 22.268 -1.615 322 H HIS 41 H HIS 41 17.741 23.984 -1.935 323 HA HIS 41 HA HIS 41 18.670 26.730 -2.641 324 HB2 HIS 41 HB2 HIS 41 16.052 26.140 -1.207 325 HB3 HIS 41 HB3 HIS 41 16.674 27.711 -1.682 326 HD2 HIS 41 HD2 HIS 41 14.785 24.683 -3.030 327 HE1 HIS 41 HE1 HIS 41 14.931 27.509 -6.229 328 HE2 HIS 41 HE2 HIS 41 13.908 25.313 -5.443 329 H ALA 42 H ALA 42 19.406 27.944 -0.824 330 HA ALA 42 HA ALA 42 19.482 26.664 1.832 331 HB1 ALA 42 HB1 ALA 42 21.388 25.646 0.639 332 HB2 ALA 42 HB2 ALA 42 22.019 27.250 0.255 333 HB3 ALA 42 HB3 ALA 42 21.944 26.708 1.945 334 H PHE 43 H PHE 43 19.898 28.015 3.530 335 HA PHE 43 HA PHE 43 20.089 30.948 2.998 336 HB2 PHE 43 HB2 PHE 43 17.795 29.655 4.487 337 HB3 PHE 43 HB3 PHE 43 18.045 31.376 4.245 338 HD1 PHE 43 HD1 PHE 43 17.711 32.383 1.978 339 HD2 PHE 43 HD2 PHE 43 16.891 28.225 2.757 340 HE1 PHE 43 HE1 PHE 43 16.474 32.225 -0.168 341 HE2 PHE 43 HE2 PHE 43 15.692 28.046 0.602 342 HZ PHE 43 HZ PHE 43 15.492 30.052 -0.881 343 HA PRO 44 HA PRO 44 22.525 30.325 6.810 344 HB2 PRO 44 HB2 PRO 44 22.999 33.260 6.335 345 HB3 PRO 44 HB3 PRO 44 24.167 31.987 6.798 346 HG2 PRO 44 HG2 PRO 44 24.063 32.865 4.236 347 HG3 PRO 44 HG3 PRO 44 24.195 31.102 4.568 348 HD2 PRO 44 HD2 PRO 44 21.701 32.715 3.914 349 HD3 PRO 44 HD3 PRO 44 22.261 31.162 3.218 350 H GLY 45 H GLY 45 22.225 30.845 8.970 351 HA2 GLY 45 HA2 GLY 45 21.415 31.852 10.867 352 HA3 GLY 45 HA3 GLY 45 20.901 33.225 9.876 353 H LEU 46 H LEU 46 19.554 30.095 9.107 354 HA LEU 46 HA LEU 46 17.030 30.730 10.568 355 HB2 LEU 46 HB2 LEU 46 17.339 29.345 7.886 356 HB3 LEU 46 HB3 LEU 46 15.837 29.500 8.775 357 HG LEU 46 HG LEU 46 17.444 31.787 7.559 358 HD11 LEU 46 HD11 LEU 46 16.169 30.318 5.987 359 HD12 LEU 46 HD12 LEU 46 14.685 30.634 6.905 360 HD13 LEU 46 HD13 LEU 46 15.521 31.963 6.065 361 HD21 LEU 46 HD21 LEU 46 15.442 33.182 8.137 362 HD22 LEU 46 HD22 LEU 46 14.810 31.831 9.104 363 HD23 LEU 46 HD23 LEU 46 16.332 32.631 9.561 364 H ALA 47 H ALA 47 15.749 29.011 11.244 365 HA ALA 47 HA ALA 47 16.867 26.273 11.344 366 HB1 ALA 47 HB1 ALA 47 15.865 27.863 13.744 367 HB2 ALA 47 HB2 ALA 47 16.222 26.122 13.757 368 HB3 ALA 47 HB3 ALA 47 17.524 27.304 13.478 369 H ILE 48 H ILE 48 15.163 24.654 11.845 370 HA ILE 48 HA ILE 48 12.670 25.306 10.442 371 HB ILE 48 HB ILE 48 13.490 22.718 11.785 372 HG12 ILE 48 HG12 ILE 48 13.615 23.340 8.797 373 HG13 ILE 48 HG13 ILE 48 15.011 23.493 9.853 374 HG21 ILE 48 HG21 ILE 48 11.056 22.902 11.464 375 HG22 ILE 48 HG22 ILE 48 11.291 23.379 9.766 376 HG23 ILE 48 HG23 ILE 48 11.703 21.745 10.317 377 HD11 ILE 48 HD11 ILE 48 14.744 21.093 10.522 378 HD12 ILE 48 HD12 ILE 48 13.529 20.937 9.221 379 HD13 ILE 48 HD13 ILE 48 15.201 21.384 8.833 380 H GLY 49 H GLY 49 10.968 26.210 11.381 381 HA2 GLY 49 HA2 GLY 49 10.728 26.308 14.339 382 HA3 GLY 49 HA3 GLY 49 9.881 27.294 13.149 383 H ARG 50 H ARG 50 8.785 25.312 11.486 384 HA ARG 50 HA ARG 50 7.134 23.530 13.192 385 HB2 ARG 50 HB2 ARG 50 5.845 25.548 11.316 386 HB3 ARG 50 HB3 ARG 50 5.018 24.356 12.313 387 HG2 ARG 50 HG2 ARG 50 5.822 25.546 14.362 388 HG3 ARG 50 HG3 ARG 50 6.545 26.793 13.331 389 HD2 ARG 50 HD2 ARG 50 3.590 26.070 13.398 390 HD3 ARG 50 HD3 ARG 50 4.339 27.440 14.226 391 HE ARG 50 HE ARG 50 4.724 27.279 11.280 392 HH11 ARG 50 HH11 ARG 50 2.880 28.839 13.840 393 HH12 ARG 50 HH12 ARG 50 2.387 30.138 12.785 394 HH21 ARG 50 HH21 ARG 50 4.120 28.910 10.063 395 HH22 ARG 50 HH22 ARG 50 3.061 30.175 10.673 396 H VAL 51 H VAL 51 6.083 21.901 12.110 397 HA VAL 51 HA VAL 51 6.086 21.807 9.167 398 HB VAL 51 HB VAL 51 8.099 20.627 9.524 399 HG11 VAL 51 HG11 VAL 51 6.654 18.816 11.497 400 HG12 VAL 51 HG12 VAL 51 8.328 18.630 10.912 401 HG13 VAL 51 HG13 VAL 51 7.898 20.017 11.912 402 HG21 VAL 51 HG21 VAL 51 5.893 18.551 9.123 403 HG22 VAL 51 HG22 VAL 51 6.546 19.612 7.867 404 HG23 VAL 51 HG23 VAL 51 7.572 18.393 8.637 405 H ASP 52 H ASP 52 4.270 21.051 8.390 406 HA ASP 52 HA ASP 52 2.324 19.562 10.097 407 HB2 ASP 52 HB2 ASP 52 1.817 21.943 10.217 408 HB3 ASP 52 HB3 ASP 52 1.890 22.087 8.462 409 H LEU 53 H LEU 53 2.105 17.670 9.123 410 HA LEU 53 HA LEU 53 2.656 17.222 6.277 411 HB2 LEU 53 HB2 LEU 53 1.638 15.308 8.405 412 HB3 LEU 53 HB3 LEU 53 2.298 14.893 6.833 413 HG LEU 53 HG LEU 53 3.919 14.294 8.307 414 HD11 LEU 53 HD11 LEU 53 5.871 15.659 7.830 415 HD12 LEU 53 HD12 LEU 53 4.842 15.522 6.400 416 HD13 LEU 53 HD13 LEU 53 4.834 17.022 7.354 417 HD21 LEU 53 HD21 LEU 53 3.089 15.541 10.308 418 HD22 LEU 53 HD22 LEU 53 4.833 15.461 10.134 419 HD23 LEU 53 HD23 LEU 53 3.993 16.968 9.733 420 H ARG 54 H ARG 54 -0.122 17.709 8.301 421 HA ARG 54 HA ARG 54 -2.191 16.537 6.631 422 HB2 ARG 54 HB2 ARG 54 -2.750 16.716 8.851 423 HB3 ARG 54 HB3 ARG 54 -1.961 18.244 9.069 424 HG2 ARG 54 HG2 ARG 54 -3.941 19.256 7.646 425 HG3 ARG 54 HG3 ARG 54 -4.727 17.703 7.966 426 HD2 ARG 54 HD2 ARG 54 -5.398 19.325 9.650 427 HD3 ARG 54 HD3 ARG 54 -4.367 18.112 10.427 428 HE ARG 54 HE ARG 54 -2.979 20.519 9.421 429 HH11 ARG 54 HH11 ARG 54 -4.210 18.997 12.380 430 HH12 ARG 54 HH12 ARG 54 -3.092 19.987 13.331 431 HH21 ARG 54 HH21 ARG 54 -1.740 21.687 10.779 432 HH22 ARG 54 HH22 ARG 54 -1.897 21.407 12.522 433 H SER 55 H SER 55 -0.998 19.912 7.054 434 HA SER 55 HA SER 55 -2.489 20.732 4.610 435 HB2 SER 55 HB2 SER 55 -1.846 22.978 5.119 436 HB3 SER 55 HB3 SER 55 -2.476 22.212 6.587 437 HG SER 55 HG SER 55 -0.650 22.598 7.511 438 H GLY 56 H GLY 56 0.750 19.734 5.415 439 HA2 GLY 56 HA2 GLY 56 2.507 19.213 3.998 440 HA3 GLY 56 HA3 GLY 56 1.613 19.845 2.608 441 H VAL 57 H VAL 57 2.686 21.388 5.690 442 HA VAL 57 HA VAL 57 4.194 23.453 4.111 443 HB VAL 57 HB VAL 57 2.221 24.043 6.344 444 HG11 VAL 57 HG11 VAL 57 3.983 25.885 4.670 445 HG12 VAL 57 HG12 VAL 57 2.661 26.430 5.722 446 HG13 VAL 57 HG13 VAL 57 4.061 25.651 6.436 447 HG21 VAL 57 HG21 VAL 57 1.016 23.550 4.278 448 HG22 VAL 57 HG22 VAL 57 0.995 25.296 4.549 449 HG23 VAL 57 HG23 VAL 57 2.106 24.606 3.353 450 H ILE 58 H ILE 58 6.030 24.197 4.926 451 HA ILE 58 HA ILE 58 6.879 23.488 7.710 452 HB ILE 58 HB ILE 58 8.520 23.558 5.161 453 HG12 ILE 58 HG12 ILE 58 8.113 21.259 7.122 454 HG13 ILE 58 HG13 ILE 58 7.192 21.459 5.637 455 HG21 ILE 58 HG21 ILE 58 10.495 23.017 6.574 456 HG22 ILE 58 HG22 ILE 58 9.834 24.584 6.981 457 HG23 ILE 58 HG23 ILE 58 9.498 23.191 8.028 458 HD11 ILE 58 HD11 ILE 58 10.152 20.898 5.842 459 HD12 ILE 58 HD12 ILE 58 8.886 19.894 5.136 460 HD13 ILE 58 HD13 ILE 58 9.348 21.401 4.325 461 H SER 59 H SER 59 7.341 25.206 8.947 462 HA SER 59 HA SER 59 7.732 27.897 7.669 463 HB2 SER 59 HB2 SER 59 7.003 27.369 10.566 464 HB3 SER 59 HB3 SER 59 7.016 28.910 9.695 465 HG SER 59 HG SER 59 5.343 27.968 8.323 466 H LEU 60 H LEU 60 9.681 28.846 7.859 467 HA LEU 60 HA LEU 60 11.658 27.749 9.818 468 HB2 LEU 60 HB2 LEU 60 12.120 29.589 7.462 469 HB3 LEU 60 HB3 LEU 60 13.348 28.866 8.507 470 HG LEU 60 HG LEU 60 11.536 27.428 6.499 471 HD11 LEU 60 HD11 LEU 60 14.550 27.786 6.776 472 HD12 LEU 60 HD12 LEU 60 13.737 26.862 5.483 473 HD13 LEU 60 HD13 LEU 60 13.513 28.616 5.614 474 HD21 LEU 60 HD21 LEU 60 12.819 25.367 7.081 475 HD22 LEU 60 HD22 LEU 60 13.537 26.220 8.466 476 HD23 LEU 60 HD23 LEU 60 11.775 25.902 8.393 477 H ILE 61 H ILE 61 12.939 29.115 11.044 478 HA ILE 61 HA ILE 61 11.902 31.839 11.677 479 HB ILE 61 HB ILE 61 11.996 31.420 14.049 480 HG12 ILE 61 HG12 ILE 61 11.880 28.609 14.373 481 HG13 ILE 61 HG13 ILE 61 13.259 28.868 13.306 482 HG21 ILE 61 HG21 ILE 61 10.146 29.447 12.664 483 HG22 ILE 61 HG22 ILE 61 9.962 30.109 14.307 484 HG23 ILE 61 HG23 ILE 61 9.853 31.182 12.906 485 HD11 ILE 61 HD11 ILE 61 14.207 30.483 14.924 486 HD12 ILE 61 HD12 ILE 61 12.824 30.187 16.012 487 HD13 ILE 61 HD13 ILE 61 13.968 28.883 15.644 488 H GLU 62 H GLU 62 13.399 33.127 12.989 489 HA GLU 62 HA GLU 62 16.054 32.987 11.838 490 HB2 GLU 62 HB2 GLU 62 14.845 34.845 13.919 491 HB3 GLU 62 HB3 GLU 62 16.465 35.018 13.226 492 HG2 GLU 62 HG2 GLU 62 15.525 35.294 10.976 493 HG3 GLU 62 HG3 GLU 62 13.890 35.016 11.582 494 H GLU 63 H GLU 63 17.784 32.020 12.568 495 HA GLU 63 HA GLU 63 17.915 30.789 15.246 496 HB2 GLU 63 HB2 GLU 63 18.422 29.519 13.190 497 HB3 GLU 63 HB3 GLU 63 19.732 30.640 12.823 498 HG2 GLU 63 HG2 GLU 63 20.843 29.988 14.970 499 HG3 GLU 63 HG3 GLU 63 19.558 28.796 15.230 500 H GLN 64 H GLN 64 18.489 32.226 16.850 501 HA GLN 64 HA GLN 64 20.734 34.102 16.430 502 HB2 GLN 64 HB2 GLN 64 19.125 33.668 18.978 503 HB3 GLN 64 HB3 GLN 64 20.251 34.961 18.618 504 HG2 GLN 64 HG2 GLN 64 18.259 36.035 18.247 505 HG3 GLN 64 HG3 GLN 64 18.699 35.554 16.618 506 HE21 GLN 64 HE21 GLN 64 16.266 36.002 16.357 507 HE22 GLN 64 HE22 GLN 64 15.211 34.614 16.659 508 H ASN 65 H ASN 65 20.845 30.931 16.815 509 HA ASN 65 HA ASN 65 22.340 30.415 19.135 510 HB2 ASN 65 HB2 ASN 65 22.082 28.823 16.525 511 HB3 ASN 65 HB3 ASN 65 22.619 28.221 18.067 512 HD21 ASN 65 HD21 ASN 65 20.981 26.584 17.885 513 HD22 ASN 65 HD22 ASN 65 19.350 26.965 18.432 514 H ARG 66 H ARG 66 23.510 32.116 16.521 515 HA ARG 66 HA ARG 66 26.351 31.302 16.907 516 HB2 ARG 66 HB2 ARG 66 24.973 31.717 14.214 517 HB3 ARG 66 HB3 ARG 66 26.683 31.423 14.457 518 HG2 ARG 66 HG2 ARG 66 24.458 29.446 15.117 519 HG3 ARG 66 HG3 ARG 66 25.463 29.419 13.675 520 HD2 ARG 66 HD2 ARG 66 27.475 29.026 14.984 521 HD3 ARG 66 HD3 ARG 66 26.597 29.180 16.497 522 HE ARG 66 HE ARG 66 26.290 26.981 14.490 523 HH11 ARG 66 HH11 ARG 66 25.868 24.969 15.259 524 HH12 ARG 66 HH12 ARG 66 25.317 24.778 16.922 525 HH21 ARG 66 HH21 ARG 66 25.519 28.042 17.782 526 HH22 ARG 66 HH22 ARG 66 25.232 26.378 18.272 527 H1 GLY -3 H1 GLY -3 -13.009 8.674 -3.700 528 H2 GLY -3 H2 GLY -3 -14.487 8.905 -3.030 529 H3 GLY -3 H3 GLY -3 -13.185 8.617 -2.072 530 HA2 GLY -3 HA2 GLY -3 -13.590 10.998 -3.759 531 HA3 GLY -3 HA3 GLY -3 -13.776 10.954 -1.988 532 HA PRO -2 HA PRO -2 -9.245 11.728 -3.370 533 HB2 PRO -2 HB2 PRO -2 -9.051 14.444 -3.423 534 HB3 PRO -2 HB3 PRO -2 -9.635 13.491 -4.822 535 HG2 PRO -2 HG2 PRO -2 -11.312 14.887 -2.707 536 HG3 PRO -2 HG3 PRO -2 -11.463 15.012 -4.491 537 HD2 PRO -2 HD2 PRO -2 -13.016 13.306 -3.057 538 HD3 PRO -2 HD3 PRO -2 -12.387 12.849 -4.667 539 H GLY -1 H GLY -1 -7.545 12.609 -2.047 540 HA2 GLY -1 HA2 GLY -1 -8.122 13.905 0.513 541 HA3 GLY -1 HA3 GLY -1 -7.547 12.247 0.682 542 H SER 0 H SER 0 -6.535 15.313 0.797 543 HA SER 0 HA SER 0 -3.966 15.040 -0.672 544 HB2 SER 0 HB2 SER 0 -5.201 17.461 0.669 545 HB3 SER 0 HB3 SER 0 -3.800 17.447 -0.418 546 HG SER 0 HG SER 0 -5.154 16.807 -2.102 547 H MET 1 H MET 1 -4.973 14.657 2.567 548 HA MET 1 HA MET 1 -2.747 15.899 3.903 549 HB2 MET 1 HB2 MET 1 -3.559 14.874 5.909 550 HB3 MET 1 HB3 MET 1 -4.918 15.518 5.003 551 HG2 MET 1 HG2 MET 1 -5.559 13.298 4.242 552 HG3 MET 1 HG3 MET 1 -4.105 12.578 4.936 553 HE1 MET 1 HE1 MET 1 -4.751 12.484 8.740 554 HE2 MET 1 HE2 MET 1 -3.757 11.905 7.396 555 HE3 MET 1 HE3 MET 1 -3.729 13.629 7.827 556 H CYS 2 H CYS 2 -1.121 14.914 5.171 557 HA CYS 2 HA CYS 2 -0.350 12.110 4.604 558 HB2 CYS 2 HB2 CYS 2 0.914 13.700 3.121 559 HB3 CYS 2 HB3 CYS 2 1.584 14.458 4.561 560 H MET 3 H MET 3 1.392 11.419 6.258 561 HA MET 3 HA MET 3 1.514 12.940 8.740 562 HB2 MET 3 HB2 MET 3 0.716 11.209 10.213 563 HB3 MET 3 HB3 MET 3 -0.554 11.642 9.073 564 HG2 MET 3 HG2 MET 3 -0.008 9.603 7.731 565 HG3 MET 3 HG3 MET 3 1.206 9.166 8.949 566 HE1 MET 3 HE1 MET 3 0.193 6.802 9.318 567 HE2 MET 3 HE2 MET 3 -1.537 6.490 9.589 568 HE3 MET 3 HE3 MET 3 -0.990 7.153 8.037 569 H ALA 4 H ALA 4 3.126 12.065 10.216 570 HA ALA 4 HA ALA 4 5.257 10.416 8.914 571 HB1 ALA 4 HB1 ALA 4 5.695 12.795 8.435 572 HB2 ALA 4 HB2 ALA 4 5.556 13.189 10.168 573 HB3 ALA 4 HB3 ALA 4 6.888 12.184 9.584 574 H LYS 5 H LYS 5 7.144 10.207 10.589 575 HA LYS 5 HA LYS 5 6.100 10.037 13.368 576 HB2 LYS 5 HB2 LYS 5 7.451 8.170 13.921 577 HB3 LYS 5 HB3 LYS 5 6.460 7.750 12.526 578 HG2 LYS 5 HG2 LYS 5 8.387 7.973 11.026 579 HG3 LYS 5 HG3 LYS 5 9.396 8.590 12.351 580 HD2 LYS 5 HD2 LYS 5 9.072 6.455 13.583 581 HD3 LYS 5 HD3 LYS 5 8.155 5.811 12.205 582 HE2 LYS 5 HE2 LYS 5 10.114 6.008 10.755 583 HE3 LYS 5 HE3 LYS 5 11.012 6.851 12.028 584 HZ1 LYS 5 HZ1 LYS 5 10.065 4.045 12.211 585 HZ2 LYS 5 HZ2 LYS 5 11.607 4.506 11.949 586 HZ3 LYS 5 HZ3 LYS 5 10.886 4.848 13.386 587 H VAL 6 H VAL 6 7.365 10.668 15.023 588 HA VAL 6 HA VAL 6 9.680 12.462 14.382 589 HB VAL 6 HB VAL 6 7.890 12.205 16.815 590 HG11 VAL 6 HG11 VAL 6 10.402 13.904 16.508 591 HG12 VAL 6 HG12 VAL 6 9.180 14.109 17.789 592 HG13 VAL 6 HG13 VAL 6 10.122 12.628 17.718 593 HG21 VAL 6 HG21 VAL 6 8.533 14.517 14.940 594 HG22 VAL 6 HG22 VAL 6 7.049 13.534 14.876 595 HG23 VAL 6 HG23 VAL 6 7.376 14.551 16.284 596 H VAL 7 H VAL 7 11.707 12.099 15.213 597 HA VAL 7 HA VAL 7 12.121 9.823 17.073 598 HB VAL 7 HB VAL 7 12.640 8.899 14.923 599 HG11 VAL 7 HG11 VAL 7 14.478 9.685 13.511 600 HG12 VAL 7 HG12 VAL 7 13.234 10.930 13.638 601 HG13 VAL 7 HG13 VAL 7 14.731 11.090 14.567 602 HG21 VAL 7 HG21 VAL 7 14.838 8.049 15.351 603 HG22 VAL 7 HG22 VAL 7 15.266 9.437 16.370 604 HG23 VAL 7 HG23 VAL 7 14.042 8.277 16.921 605 H LEU 8 H LEU 8 13.461 10.125 18.686 606 HA LEU 8 HA LEU 8 15.518 12.212 18.743 607 HB2 LEU 8 HB2 LEU 8 14.659 13.393 20.648 608 HB3 LEU 8 HB3 LEU 8 13.452 13.387 19.374 609 HG LEU 8 HG LEU 8 12.574 11.221 20.778 610 HD11 LEU 8 HD11 LEU 8 12.674 11.779 23.214 611 HD12 LEU 8 HD12 LEU 8 14.267 11.392 22.574 612 HD13 LEU 8 HD13 LEU 8 13.820 13.084 22.860 613 HD21 LEU 8 HD21 LEU 8 11.229 13.191 20.168 614 HD22 LEU 8 HD22 LEU 8 10.937 12.675 21.830 615 HD23 LEU 8 HD23 LEU 8 11.941 14.099 21.529 616 H THR 9 H THR 9 16.880 12.024 20.728 617 HA THR 9 HA THR 9 16.603 9.491 22.253 618 HB THR 9 HB THR 9 19.177 10.305 20.858 619 HG1 THR 9 HG1 THR 9 17.717 9.266 19.495 620 HG21 THR 9 HG21 THR 9 20.040 8.134 21.702 621 HG22 THR 9 HG22 THR 9 19.701 9.258 23.027 622 HG23 THR 9 HG23 THR 9 18.569 7.926 22.674 623 H LYS 10 H LYS 10 16.922 9.742 24.337 624 HA LYS 10 HA LYS 10 17.397 12.324 25.554 625 HB2 LYS 10 HB2 LYS 10 17.315 9.547 26.790 626 HB3 LYS 10 HB3 LYS 10 17.219 11.069 27.673 627 HG2 LYS 10 HG2 LYS 10 15.083 11.617 26.585 628 HG3 LYS 10 HG3 LYS 10 15.154 10.114 25.648 629 HD2 LYS 10 HD2 LYS 10 15.289 8.847 27.868 630 HD3 LYS 10 HD3 LYS 10 14.936 10.395 28.670 631 HE2 LYS 10 HE2 LYS 10 12.864 10.578 27.243 632 HE3 LYS 10 HE3 LYS 10 13.232 8.973 26.577 633 HZ1 LYS 10 HZ1 LYS 10 11.659 8.822 28.427 634 HZ2 LYS 10 HZ2 LYS 10 13.042 8.068 28.845 635 HZ3 LYS 10 HZ3 LYS 10 12.699 9.552 29.446 636 H ALA 11 H ALA 11 19.000 12.814 27.172 637 HA ALA 11 HA ALA 11 21.743 12.202 26.525 638 HB1 ALA 11 HB1 ALA 11 20.997 14.301 27.609 639 HB2 ALA 11 HB2 ALA 11 20.510 13.388 29.064 640 HB3 ALA 11 HB3 ALA 11 22.216 13.468 28.587 641 H ASP 12 H ASP 12 19.398 10.637 28.645 642 HA ASP 12 HA ASP 12 21.262 8.893 30.005 643 HB2 ASP 12 HB2 ASP 12 18.935 9.632 30.753 644 HB3 ASP 12 HB3 ASP 12 18.280 8.527 29.550 645 H GLY 13 H GLY 13 20.448 8.960 26.767 646 HA2 GLY 13 HA2 GLY 13 21.099 7.510 25.085 647 HA3 GLY 13 HA3 GLY 13 21.343 6.202 26.246 648 H GLY 14 H GLY 14 18.260 7.614 26.709 649 HA2 GLY 14 HA2 GLY 14 16.874 5.265 25.648 650 HA3 GLY 14 HA3 GLY 14 16.161 6.660 26.468 651 H ARG 15 H ARG 15 16.673 5.139 23.448 652 HA ARG 15 HA ARG 15 15.969 7.415 21.738 653 HB2 ARG 15 HB2 ARG 15 17.309 5.555 20.903 654 HB3 ARG 15 HB3 ARG 15 15.974 4.422 21.195 655 HG2 ARG 15 HG2 ARG 15 14.612 5.501 19.480 656 HG3 ARG 15 HG3 ARG 15 15.785 6.822 19.302 657 HD2 ARG 15 HD2 ARG 15 17.480 5.297 18.474 658 HD3 ARG 15 HD3 ARG 15 16.438 3.894 18.787 659 HE ARG 15 HE ARG 15 14.842 5.125 17.063 660 HH11 ARG 15 HH11 ARG 15 18.322 4.749 16.702 661 HH12 ARG 15 HH12 ARG 15 18.193 4.724 14.958 662 HH21 ARG 15 HH21 ARG 15 14.753 5.070 14.986 663 HH22 ARG 15 HH22 ARG 15 16.198 4.904 13.979 664 H VAL 16 H VAL 16 14.037 8.069 21.074 665 HA VAL 16 HA VAL 16 11.550 6.633 21.890 666 HB VAL 16 HB VAL 16 12.153 9.567 22.324 667 HG11 VAL 16 HG11 VAL 16 9.563 8.045 22.812 668 HG12 VAL 16 HG12 VAL 16 9.892 9.707 23.347 669 HG13 VAL 16 HG13 VAL 16 9.822 9.353 21.622 670 HG21 VAL 16 HG21 VAL 16 13.115 8.188 24.114 671 HG22 VAL 16 HG22 VAL 16 11.720 9.092 24.703 672 HG23 VAL 16 HG23 VAL 16 11.558 7.356 24.336 673 H GLU 17 H GLU 17 9.985 6.601 20.394 674 HA GLU 17 HA GLU 17 10.082 8.466 18.105 675 HB2 GLU 17 HB2 GLU 17 9.860 5.446 17.832 676 HB3 GLU 17 HB3 GLU 17 9.520 6.624 16.545 677 HG2 GLU 17 HG2 GLU 17 11.844 7.484 16.750 678 HG3 GLU 17 HG3 GLU 17 12.191 6.244 17.957 679 H ILE 18 H ILE 18 8.135 9.017 17.230 680 HA ILE 18 HA ILE 18 5.643 8.000 18.553 681 HB ILE 18 HB ILE 18 6.339 10.908 18.047 682 HG12 ILE 18 HG12 ILE 18 5.830 9.520 20.722 683 HG13 ILE 18 HG13 ILE 18 7.443 9.869 20.085 684 HG21 ILE 18 HG21 ILE 18 3.814 9.714 19.277 685 HG22 ILE 18 HG22 ILE 18 4.144 11.436 19.016 686 HG23 ILE 18 HG23 ILE 18 3.910 10.389 17.643 687 HD11 ILE 18 HD11 ILE 18 5.373 11.967 20.749 688 HD12 ILE 18 HD12 ILE 18 6.823 11.560 21.659 689 HD13 ILE 18 HD13 ILE 18 6.969 12.275 20.043 690 H GLY 19 H GLY 19 4.419 7.155 17.013 691 HA2 GLY 19 HA2 GLY 19 4.740 7.865 14.156 692 HA3 GLY 19 HA3 GLY 19 3.825 6.527 14.817 693 H ASP 20 H ASP 20 2.759 7.896 12.811 694 HA ASP 20 HA ASP 20 0.930 8.921 12.028 695 HB2 ASP 20 HB2 ASP 20 -0.357 8.285 14.686 696 HB3 ASP 20 HB3 ASP 20 -1.122 8.444 13.102 697 H VAL 21 H VAL 21 2.764 10.732 13.066 698 HA VAL 21 HA VAL 21 1.446 12.887 14.531 699 HB VAL 21 HB VAL 21 4.144 12.680 13.155 700 HG11 VAL 21 HG11 VAL 21 4.770 14.674 14.459 701 HG12 VAL 21 HG12 VAL 21 3.527 15.042 13.279 702 HG13 VAL 21 HG13 VAL 21 3.089 14.862 14.997 703 HG21 VAL 21 HG21 VAL 21 3.916 11.187 15.111 704 HG22 VAL 21 HG22 VAL 21 4.995 12.522 15.487 705 HG23 VAL 21 HG23 VAL 21 3.324 12.538 16.102 706 H LEU 22 H LEU 22 0.342 14.550 13.725 707 HA LEU 22 HA LEU 22 0.240 15.002 10.773 708 HB2 LEU 22 HB2 LEU 22 -1.411 16.186 13.047 709 HB3 LEU 22 HB3 LEU 22 -1.592 16.561 11.341 710 HG LEU 22 HG LEU 22 -2.173 13.903 12.689 711 HD11 LEU 22 HD11 LEU 22 -3.880 15.680 12.943 712 HD12 LEU 22 HD12 LEU 22 -3.904 15.919 11.182 713 HD13 LEU 22 HD13 LEU 22 -4.482 14.399 11.881 714 HD21 LEU 22 HD21 LEU 22 -3.017 13.182 10.437 715 HD22 LEU 22 HD22 LEU 22 -2.254 14.621 9.730 716 HD23 LEU 22 HD23 LEU 22 -1.269 13.363 10.501 717 H GLU 23 H GLU 23 1.394 16.548 13.756 718 HA GLU 23 HA GLU 23 2.938 18.413 12.142 719 HB2 GLU 23 HB2 GLU 23 2.061 20.467 13.092 720 HB3 GLU 23 HB3 GLU 23 0.815 19.616 12.211 721 HG2 GLU 23 HG2 GLU 23 -0.140 18.779 14.360 722 HG3 GLU 23 HG3 GLU 23 1.110 19.672 15.243 723 H VAL 24 H VAL 24 4.482 19.592 13.185 724 HA VAL 24 HA VAL 24 5.110 19.041 16.027 725 HB VAL 24 HB VAL 24 7.173 18.790 13.812 726 HG11 VAL 24 HG11 VAL 24 8.176 19.611 15.895 727 HG12 VAL 24 HG12 VAL 24 7.399 18.315 16.801 728 HG13 VAL 24 HG13 VAL 24 8.657 17.943 15.601 729 HG21 VAL 24 HG21 VAL 24 5.729 16.827 13.764 730 HG22 VAL 24 HG22 VAL 24 7.307 16.415 14.405 731 HG23 VAL 24 HG23 VAL 24 5.924 16.610 15.520 732 H ARG 25 H ARG 25 5.993 20.776 17.064 733 HA ARG 25 HA ARG 25 6.770 23.212 15.498 734 HB2 ARG 25 HB2 ARG 25 4.893 23.239 17.898 735 HB3 ARG 25 HB3 ARG 25 5.450 24.635 16.971 736 HG2 ARG 25 HG2 ARG 25 4.253 23.677 14.946 737 HG3 ARG 25 HG3 ARG 25 3.588 22.422 16.005 738 HD2 ARG 25 HD2 ARG 25 2.623 24.227 17.464 739 HD3 ARG 25 HD3 ARG 25 3.205 25.424 16.288 740 HE ARG 25 HE ARG 25 1.477 23.312 15.147 741 HH11 ARG 25 HH11 ARG 25 1.327 26.488 16.669 742 HH12 ARG 25 HH12 ARG 25 -0.250 26.782 15.993 743 HH21 ARG 25 HH21 ARG 25 -0.429 23.699 14.449 744 HH22 ARG 25 HH22 ARG 25 -1.271 25.221 14.755 745 H ALA 26 H ALA 26 8.472 24.248 16.247 746 HA ALA 26 HA ALA 26 9.730 23.456 18.824 747 HB1 ALA 26 HB1 ALA 26 11.740 24.530 17.912 748 HB2 ALA 26 HB2 ALA 26 11.134 23.272 16.811 749 HB3 ALA 26 HB3 ALA 26 10.845 24.980 16.446 750 H GLU 27 H GLU 27 9.214 24.638 20.485 751 HA GLU 27 HA GLU 27 8.477 27.510 20.401 752 HB2 GLU 27 HB2 GLU 27 9.029 25.677 22.763 753 HB3 GLU 27 HB3 GLU 27 8.298 27.259 22.842 754 HG2 GLU 27 HG2 GLU 27 7.031 24.817 21.515 755 HG3 GLU 27 HG3 GLU 27 6.727 25.355 23.153 756 H GLY 28 H GLY 28 9.820 28.792 22.232 757 HA2 GLY 28 HA2 GLY 28 12.448 29.205 21.231 758 HA3 GLY 28 HA3 GLY 28 11.794 29.862 22.729 759 H GLY 29 H GLY 29 11.485 26.781 23.485 760 HA2 GLY 29 HA2 GLY 29 14.239 25.882 23.836 761 HA3 GLY 29 HA3 GLY 29 13.457 26.426 25.331 762 H ALA 30 H ALA 30 11.563 24.790 22.818 763 HA ALA 30 HA ALA 30 11.801 22.127 23.928 764 HB1 ALA 30 HB1 ALA 30 10.371 23.197 25.687 765 HB2 ALA 30 HB2 ALA 30 9.221 23.693 24.428 766 HB3 ALA 30 HB3 ALA 30 9.479 21.968 24.777 767 H VAL 31 H VAL 31 10.553 20.559 22.754 768 HA VAL 31 HA VAL 31 9.230 21.541 20.236 769 HB VAL 31 HB VAL 31 10.644 18.914 20.762 770 HG11 VAL 31 HG11 VAL 31 9.973 18.317 18.402 771 HG12 VAL 31 HG12 VAL 31 8.638 18.279 19.541 772 HG13 VAL 31 HG13 VAL 31 8.825 19.656 18.428 773 HG21 VAL 31 HG21 VAL 31 10.935 20.973 18.523 774 HG22 VAL 31 HG22 VAL 31 11.921 20.949 19.990 775 HG23 VAL 31 HG23 VAL 31 12.003 19.585 18.868 776 H ARG 32 H ARG 32 7.232 20.935 19.749 777 HA ARG 32 HA ARG 32 5.679 19.169 21.609 778 HB2 ARG 32 HB2 ARG 32 4.793 21.724 20.221 779 HB3 ARG 32 HB3 ARG 32 3.709 20.619 21.084 780 HG2 ARG 32 HG2 ARG 32 4.794 21.076 23.214 781 HG3 ARG 32 HG3 ARG 32 6.098 21.962 22.415 782 HD2 ARG 32 HD2 ARG 32 4.607 23.571 23.390 783 HD3 ARG 32 HD3 ARG 32 4.531 23.657 21.618 784 HE ARG 32 HE ARG 32 2.488 21.954 22.947 785 HH11 ARG 32 HH11 ARG 32 3.097 25.238 21.773 786 HH12 ARG 32 HH12 ARG 32 1.392 25.519 21.518 787 HH21 ARG 32 HH21 ARG 32 0.398 22.355 22.494 788 HH22 ARG 32 HH22 ARG 32 -0.106 23.952 21.980 789 H VAL 33 H VAL 33 4.366 17.709 20.678 790 HA VAL 33 HA VAL 33 4.413 17.305 17.703 791 HB VAL 33 HB VAL 33 4.886 15.252 19.908 792 HG11 VAL 33 HG11 VAL 33 3.721 14.221 18.001 793 HG12 VAL 33 HG12 VAL 33 4.913 14.917 16.886 794 HG13 VAL 33 HG13 VAL 33 5.400 13.676 18.059 795 HG21 VAL 33 HG21 VAL 33 6.904 16.610 19.611 796 HG22 VAL 33 HG22 VAL 33 7.149 14.990 18.966 797 HG23 VAL 33 HG23 VAL 33 6.841 16.342 17.859 798 H THR 34 H THR 34 2.424 16.805 16.843 799 HA THR 34 HA THR 34 0.247 15.916 18.714 800 HB THR 34 HB THR 34 0.026 17.956 16.496 801 HG1 THR 34 HG1 THR 34 0.975 18.792 18.351 802 HG21 THR 34 HG21 THR 34 -2.069 16.904 18.449 803 HG22 THR 34 HG22 THR 34 -2.260 18.341 17.416 804 HG23 THR 34 HG23 THR 34 -2.080 16.757 16.673 805 H THR 35 H THR 35 -0.887 14.207 18.145 806 HA THR 35 HA THR 35 -0.558 12.993 15.443 807 HB THR 35 HB THR 35 -1.391 10.958 16.410 808 HG1 THR 35 HG1 THR 35 -1.832 10.969 18.713 809 HG21 THR 35 HG21 THR 35 0.570 12.140 18.427 810 HG22 THR 35 HG22 THR 35 0.311 10.426 18.037 811 HG23 THR 35 HG23 THR 35 1.020 11.502 16.824 812 H LEU 36 H LEU 36 -2.496 11.867 14.517 813 HA LEU 36 HA LEU 36 -4.703 13.681 14.221 814 HB2 LEU 36 HB2 LEU 36 -5.528 12.255 12.631 815 HB3 LEU 36 HB3 LEU 36 -3.798 12.043 12.496 816 HG LEU 36 HG LEU 36 -5.744 10.102 13.856 817 HD11 LEU 36 HD11 LEU 36 -5.254 8.681 11.890 818 HD12 LEU 36 HD12 LEU 36 -5.951 10.221 11.384 819 HD13 LEU 36 HD13 LEU 36 -4.202 9.954 11.220 820 HD21 LEU 36 HD21 LEU 36 -3.543 9.885 14.899 821 HD22 LEU 36 HD22 LEU 36 -3.783 8.529 13.788 822 HD23 LEU 36 HD23 LEU 36 -2.764 9.892 13.298 823 H PHE 37 H PHE 37 -4.146 11.491 16.740 824 HA PHE 37 HA PHE 37 -6.969 11.083 17.470 825 HB2 PHE 37 HB2 PHE 37 -4.434 10.524 19.049 826 HB3 PHE 37 HB3 PHE 37 -6.054 9.920 19.383 827 HD1 PHE 37 HD1 PHE 37 -2.946 9.032 18.002 828 HD2 PHE 37 HD2 PHE 37 -7.188 8.597 17.278 829 HE1 PHE 37 HE1 PHE 37 -2.503 7.070 16.568 830 HE2 PHE 37 HE2 PHE 37 -6.728 6.618 15.851 831 HZ PHE 37 HZ PHE 37 -4.388 5.848 15.491 832 H ASP 38 H ASP 38 -5.084 13.769 17.484 833 HA ASP 38 HA ASP 38 -4.965 15.708 18.502 834 HB2 ASP 38 HB2 ASP 38 -7.477 15.543 18.253 835 HB3 ASP 38 HB3 ASP 38 -7.553 15.116 19.970 836 H GLU 39 H GLU 39 -3.798 13.304 19.779 837 HA GLU 39 HA GLU 39 -3.432 14.138 22.606 838 HB2 GLU 39 HB2 GLU 39 -2.086 11.968 20.941 839 HB3 GLU 39 HB3 GLU 39 -1.777 12.263 22.636 840 HG2 GLU 39 HG2 GLU 39 -4.435 11.356 21.427 841 HG3 GLU 39 HG3 GLU 39 -3.303 10.353 22.322 842 H GLU 40 H GLU 40 -1.701 15.267 23.339 843 HA GLU 40 HA GLU 40 0.371 16.154 21.388 844 HB2 GLU 40 HB2 GLU 40 -0.978 18.020 22.152 845 HB3 GLU 40 HB3 GLU 40 -0.633 17.615 23.842 846 HG2 GLU 40 HG2 GLU 40 1.766 18.028 23.481 847 HG3 GLU 40 HG3 GLU 40 1.486 18.358 21.765 848 H HIS 41 H HIS 41 2.444 15.811 21.793 849 HA HIS 41 HA HIS 41 3.363 14.846 24.474 850 HB2 HIS 41 HB2 HIS 41 4.628 14.123 21.816 851 HB3 HIS 41 HB3 HIS 41 5.053 13.509 23.411 852 HD2 HIS 41 HD2 HIS 41 2.554 13.044 20.548 853 HE1 HIS 41 HE1 HIS 41 1.700 9.967 23.365 854 HE2 HIS 41 HE2 HIS 41 1.186 10.848 21.035 855 H ALA 42 H ALA 42 5.367 15.793 25.197 856 HA ALA 42 HA ALA 42 6.510 17.964 23.539 857 HB1 ALA 42 HB1 ALA 42 4.634 18.992 24.789 858 HB2 ALA 42 HB2 ALA 42 5.346 18.432 26.320 859 HB3 ALA 42 HB3 ALA 42 6.204 19.621 25.317 860 H PHE 43 H PHE 43 8.547 18.560 23.957 861 HA PHE 43 HA PHE 43 10.109 16.996 25.963 862 HB2 PHE 43 HB2 PHE 43 10.665 17.216 22.992 863 HB3 PHE 43 HB3 PHE 43 11.728 16.479 24.180 864 HD1 PHE 43 HD1 PHE 43 8.608 16.077 22.247 865 HD2 PHE 43 HD2 PHE 43 11.132 14.335 25.285 866 HE1 PHE 43 HE1 PHE 43 7.309 13.966 22.115 867 HE2 PHE 43 HE2 PHE 43 9.857 12.216 25.118 868 HZ PHE 43 HZ PHE 43 7.941 12.028 23.557 869 HA PRO 44 HA PRO 44 11.726 21.268 26.208 870 HB2 PRO 44 HB2 PRO 44 13.019 21.104 28.605 871 HB3 PRO 44 HB3 PRO 44 11.239 21.246 28.469 872 HG2 PRO 44 HG2 PRO 44 12.882 18.714 28.841 873 HG3 PRO 44 HG3 PRO 44 11.428 19.237 29.748 874 HD2 PRO 44 HD2 PRO 44 11.302 17.482 27.656 875 HD3 PRO 44 HD3 PRO 44 10.002 18.671 27.965 876 H GLY 45 H GLY 45 13.692 22.203 25.779 877 HA2 GLY 45 HA2 GLY 45 15.960 22.446 25.442 878 HA3 GLY 45 HA3 GLY 45 16.236 20.808 26.032 879 H LEU 46 H LEU 46 13.923 20.713 23.551 880 HA LEU 46 HA LEU 46 15.980 20.026 21.507 881 HB2 LEU 46 HB2 LEU 46 13.103 19.087 21.731 882 HB3 LEU 46 HB3 LEU 46 14.247 18.625 20.476 883 HG LEU 46 HG LEU 46 14.389 17.898 23.426 884 HD11 LEU 46 HD11 LEU 46 14.065 15.627 22.601 885 HD12 LEU 46 HD12 LEU 46 12.771 16.650 21.950 886 HD13 LEU 46 HD13 LEU 46 14.130 16.183 20.913 887 HD21 LEU 46 HD21 LEU 46 16.702 18.192 22.617 888 HD22 LEU 46 HD22 LEU 46 16.341 16.483 22.805 889 HD23 LEU 46 HD23 LEU 46 16.351 17.217 21.181 890 H ALA 47 H ALA 47 15.473 20.366 19.311 891 HA ALA 47 HA ALA 47 13.285 22.175 18.518 892 HB1 ALA 47 HB1 ALA 47 14.798 23.527 17.089 893 HB2 ALA 47 HB2 ALA 47 15.136 23.739 18.803 894 HB3 ALA 47 HB3 ALA 47 16.195 22.699 17.810 895 H ILE 48 H ILE 48 13.063 22.110 16.046 896 HA ILE 48 HA ILE 48 13.313 19.340 15.091 897 HB ILE 48 HB ILE 48 12.348 21.823 13.631 898 HG12 ILE 48 HG12 ILE 48 10.516 19.657 14.723 899 HG13 ILE 48 HG13 ILE 48 10.984 21.009 15.739 900 HG21 ILE 48 HG21 ILE 48 13.028 20.065 12.064 901 HG22 ILE 48 HG22 ILE 48 12.113 18.847 12.978 902 HG23 ILE 48 HG23 ILE 48 11.268 20.134 12.101 903 HD11 ILE 48 HD11 ILE 48 9.568 21.292 13.059 904 HD12 ILE 48 HD12 ILE 48 8.869 21.508 14.677 905 HD13 ILE 48 HD13 ILE 48 10.119 22.619 14.100 906 H GLY 49 H GLY 49 15.034 18.544 14.037 907 HA2 GLY 49 HA2 GLY 49 17.189 20.377 13.066 908 HA3 GLY 49 HA3 GLY 49 17.341 18.669 13.460 909 H ARG 50 H ARG 50 15.119 17.654 11.976 910 HA ARG 50 HA ARG 50 15.605 18.410 9.154 911 HB2 ARG 50 HB2 ARG 50 15.830 15.512 10.019 912 HB3 ARG 50 HB3 ARG 50 16.073 16.162 8.409 913 HG2 ARG 50 HG2 ARG 50 18.102 17.385 9.241 914 HG3 ARG 50 HG3 ARG 50 17.915 16.585 10.806 915 HD2 ARG 50 HD2 ARG 50 18.356 15.211 8.125 916 HD3 ARG 50 HD3 ARG 50 19.560 15.430 9.403 917 HE ARG 50 HE ARG 50 17.258 14.036 10.447 918 HH11 ARG 50 HH11 ARG 50 20.054 13.389 8.412 919 HH12 ARG 50 HH12 ARG 50 19.982 11.678 8.753 920 HH21 ARG 50 HH21 ARG 50 17.217 11.944 10.806 921 HH22 ARG 50 HH22 ARG 50 18.410 10.862 10.105 922 H VAL 51 H VAL 51 14.081 17.765 7.709 923 HA VAL 51 HA VAL 51 11.714 16.179 8.588 924 HB VAL 51 HB VAL 51 11.593 18.740 6.934 925 HG11 VAL 51 HG11 VAL 51 9.140 18.394 6.969 926 HG12 VAL 51 HG12 VAL 51 9.946 17.080 6.126 927 HG13 VAL 51 HG13 VAL 51 9.364 16.831 7.790 928 HG21 VAL 51 HG21 VAL 51 11.800 19.302 9.305 929 HG22 VAL 51 HG22 VAL 51 10.164 19.633 8.745 930 HG23 VAL 51 HG23 VAL 51 10.489 18.175 9.718 931 H ASP 52 H ASP 52 11.306 14.550 7.149 932 HA ASP 52 HA ASP 52 12.108 14.857 4.298 933 HB2 ASP 52 HB2 ASP 52 13.973 13.731 5.448 934 HB3 ASP 52 HB3 ASP 52 12.869 12.513 6.072 935 H LEU 53 H LEU 53 10.216 14.783 3.299 936 HA LEU 53 HA LEU 53 7.943 13.239 4.375 937 HB2 LEU 53 HB2 LEU 53 8.187 15.081 1.957 938 HB3 LEU 53 HB3 LEU 53 6.715 14.318 2.519 939 HG LEU 53 HG LEU 53 7.562 15.553 4.851 940 HD11 LEU 53 HD11 LEU 53 9.363 16.770 3.666 941 HD12 LEU 53 HD12 LEU 53 8.161 17.445 2.540 942 HD13 LEU 53 HD13 LEU 53 8.104 17.864 4.268 943 HD21 LEU 53 HD21 LEU 53 5.762 17.132 4.456 944 HD22 LEU 53 HD22 LEU 53 5.736 16.705 2.718 945 HD23 LEU 53 HD23 LEU 53 5.279 15.513 3.946 946 H ARG 54 H ARG 54 10.446 12.593 2.122 947 HA ARG 54 HA ARG 54 8.939 10.580 0.553 948 HB2 ARG 54 HB2 ARG 54 10.769 11.813 -0.489 949 HB3 ARG 54 HB3 ARG 54 11.908 11.250 0.734 950 HG2 ARG 54 HG2 ARG 54 11.757 8.962 -0.057 951 HG3 ARG 54 HG3 ARG 54 10.388 9.362 -1.110 952 HD2 ARG 54 HD2 ARG 54 12.425 9.145 -2.429 953 HD3 ARG 54 HD3 ARG 54 11.828 10.817 -2.470 954 HE ARG 54 HE ARG 54 13.758 10.515 -0.363 955 HH11 ARG 54 HH11 ARG 54 13.680 10.754 -3.854 956 HH12 ARG 54 HH12 ARG 54 15.286 11.412 -3.945 957 HH21 ARG 54 HH21 ARG 54 15.803 11.347 -0.538 958 HH22 ARG 54 HH22 ARG 54 16.460 11.729 -2.111 959 H SER 55 H SER 55 11.255 10.669 3.235 960 HA SER 55 HA SER 55 11.056 7.804 3.827 961 HB2 SER 55 HB2 SER 55 13.065 9.165 4.318 962 HB3 SER 55 HB3 SER 55 12.129 10.112 5.494 963 HG SER 55 HG SER 55 12.822 7.335 5.593 964 H GLY 56 H GLY 56 9.463 10.765 5.001 965 HA2 GLY 56 HA2 GLY 56 7.444 11.020 6.113 966 HA3 GLY 56 HA3 GLY 56 7.327 9.271 6.382 967 H VAL 57 H VAL 57 10.030 11.475 7.188 968 HA VAL 57 HA VAL 57 9.756 10.766 10.083 969 HB VAL 57 HB VAL 57 12.237 10.435 8.379 970 HG11 VAL 57 HG11 VAL 57 12.957 11.301 10.566 971 HG12 VAL 57 HG12 VAL 57 11.905 10.134 11.405 972 HG13 VAL 57 HG13 VAL 57 13.315 9.583 10.471 973 HG21 VAL 57 HG21 VAL 57 10.677 8.541 8.222 974 HG22 VAL 57 HG22 VAL 57 12.099 8.075 9.154 975 HG23 VAL 57 HG23 VAL 57 10.573 8.454 9.990 976 H ILE 58 H ILE 58 10.354 12.225 11.550 977 HA ILE 58 HA ILE 58 11.635 14.799 10.685 978 HB ILE 58 HB ILE 58 9.362 14.340 12.655 979 HG12 ILE 58 HG12 ILE 58 9.426 16.197 10.242 980 HG13 ILE 58 HG13 ILE 58 8.888 14.531 10.105 981 HG21 ILE 58 HG21 ILE 58 10.939 16.892 12.099 982 HG22 ILE 58 HG22 ILE 58 9.462 16.815 13.078 983 HG23 ILE 58 HG23 ILE 58 10.902 15.993 13.631 984 HD11 ILE 58 HD11 ILE 58 7.075 14.889 11.697 985 HD12 ILE 58 HD12 ILE 58 7.579 16.578 11.929 986 HD13 ILE 58 HD13 ILE 58 7.002 16.056 10.346 987 H SER 59 H SER 59 13.576 15.015 11.592 988 HA SER 59 HA SER 59 14.309 13.440 14.020 989 HB2 SER 59 HB2 SER 59 16.172 14.981 12.198 990 HB3 SER 59 HB3 SER 59 16.602 13.808 13.454 991 HG SER 59 HG SER 59 15.424 12.227 12.176 992 H LEU 60 H LEU 60 14.598 14.398 15.942 993 HA LEU 60 HA LEU 60 14.681 17.373 16.099 994 HB2 LEU 60 HB2 LEU 60 14.357 15.389 18.350 995 HB3 LEU 60 HB3 LEU 60 14.177 17.137 18.429 996 HG LEU 60 HG LEU 60 12.347 15.155 17.011 997 HD11 LEU 60 HD11 LEU 60 11.881 17.097 19.297 998 HD12 LEU 60 HD12 LEU 60 10.692 15.957 18.611 999 HD13 LEU 60 HD13 LEU 60 12.120 15.356 19.454 1000 HD21 LEU 60 HD21 LEU 60 10.891 17.095 16.471 1001 HD22 LEU 60 HD22 LEU 60 12.188 18.198 16.998 1002 HD23 LEU 60 HD23 LEU 60 12.414 17.140 15.588 1003 H ILE 61 H ILE 61 16.166 18.440 17.429 1004 HA ILE 61 HA ILE 61 18.751 17.106 18.054 1005 HB ILE 61 HB ILE 61 20.023 18.960 17.120 1006 HG12 ILE 61 HG12 ILE 61 18.643 20.343 15.285 1007 HG13 ILE 61 HG13 ILE 61 17.332 20.093 16.431 1008 HG21 ILE 61 HG21 ILE 61 19.726 16.940 15.824 1009 HG22 ILE 61 HG22 ILE 61 18.257 17.593 15.066 1010 HG23 ILE 61 HG23 ILE 61 19.830 18.355 14.765 1011 HD11 ILE 61 HD11 ILE 61 19.995 21.356 17.168 1012 HD12 ILE 61 HD12 ILE 61 18.565 22.274 16.668 1013 HD13 ILE 61 HD13 ILE 61 18.504 21.333 18.151 1014 H GLU 62 H GLU 62 20.163 18.510 19.369 1015 HA GLU 62 HA GLU 62 18.710 19.495 21.704 1016 HB2 GLU 62 HB2 GLU 62 21.672 19.298 21.055 1017 HB3 GLU 62 HB3 GLU 62 21.021 19.908 22.582 1018 HG2 GLU 62 HG2 GLU 62 19.912 17.731 22.996 1019 HG3 GLU 62 HG3 GLU 62 20.487 17.124 21.445 1020 H GLU 63 H GLU 63 17.886 21.453 21.803 1021 HA GLU 63 HA GLU 63 18.694 23.615 20.047 1022 HB2 GLU 63 HB2 GLU 63 16.382 23.265 20.720 1023 HB3 GLU 63 HB3 GLU 63 16.792 23.518 22.405 1024 HG2 GLU 63 HG2 GLU 63 15.646 25.432 21.481 1025 HG3 GLU 63 HG3 GLU 63 17.275 25.867 21.986 1026 H GLN 64 H GLN 64 19.613 25.536 20.544 1027 HA GLN 64 HA GLN 64 21.237 25.852 22.995 1028 HB2 GLN 64 HB2 GLN 64 23.343 25.878 21.693 1029 HB3 GLN 64 HB3 GLN 64 22.518 24.327 21.699 1030 HG2 GLN 64 HG2 GLN 64 21.522 25.089 19.383 1031 HG3 GLN 64 HG3 GLN 64 22.814 26.296 19.406 1032 HE21 GLN 64 HE21 GLN 64 22.217 22.709 19.705 1033 HE22 GLN 64 HE22 GLN 64 23.757 22.282 18.969 1034 H ASN 65 H ASN 65 19.043 27.287 21.731 1035 HA ASN 65 HA ASN 65 19.988 29.826 20.682 1036 HB2 ASN 65 HB2 ASN 65 17.779 28.671 20.212 1037 HB3 ASN 65 HB3 ASN 65 17.287 28.996 21.879 1038 HD21 ASN 65 HD21 ASN 65 18.332 30.506 18.834 1039 HD22 ASN 65 HD22 ASN 65 17.364 31.981 19.046 1040 H ARG 66 H ARG 66 19.364 28.567 23.886 1041 HA ARG 66 HA ARG 66 19.019 31.081 25.304 1042 HB2 ARG 66 HB2 ARG 66 19.549 28.232 26.255 1043 HB3 ARG 66 HB3 ARG 66 19.249 29.610 27.321 1044 HG2 ARG 66 HG2 ARG 66 17.014 29.943 26.325 1045 HG3 ARG 66 HG3 ARG 66 17.294 28.619 25.198 1046 HD2 ARG 66 HD2 ARG 66 15.932 27.780 26.971 1047 HD3 ARG 66 HD3 ARG 66 17.537 27.040 27.096 1048 HE ARG 66 HE ARG 66 17.337 29.422 28.727 1049 HH11 ARG 66 HH11 ARG 66 16.416 26.039 28.755 1050 HH12 ARG 66 HH12 ARG 66 16.343 25.980 30.495 1051 HH21 ARG 66 HH21 ARG 66 17.251 29.268 30.950 1052 HH22 ARG 66 HH22 ARG 66 16.799 27.765 31.698 Start of MODEL 6 1 H1 GLY -3 H1 GLY -3 12.605 1.450 1.784 2 H2 GLY -3 H2 GLY -3 11.545 1.356 0.537 3 H3 GLY -3 H3 GLY -3 12.476 0.063 0.916 4 HA2 GLY -3 HA2 GLY -3 10.251 -0.307 1.699 5 HA3 GLY -3 HA3 GLY -3 11.394 -0.167 3.055 6 HA PRO -2 HA PRO -2 7.762 2.595 3.885 7 HB2 PRO -2 HB2 PRO -2 8.463 1.665 6.663 8 HB3 PRO -2 HB3 PRO -2 6.844 1.902 5.951 9 HG2 PRO -2 HG2 PRO -2 7.842 -0.596 6.174 10 HG3 PRO -2 HG3 PRO -2 7.045 -0.099 4.642 11 HD2 PRO -2 HD2 PRO -2 10.011 -0.183 5.264 12 HD3 PRO -2 HD3 PRO -2 9.144 -0.821 3.839 13 H GLY -1 H GLY -1 9.172 5.478 5.620 14 HA2 GLY -1 HA2 GLY -1 6.595 4.099 5.229 15 HA3 GLY -1 HA3 GLY -1 6.888 5.773 5.644 16 H SER 0 H SER 0 4.961 5.362 3.904 17 HA SER 0 HA SER 0 5.619 5.432 1.117 18 HB2 SER 0 HB2 SER 0 3.206 6.565 2.583 19 HB3 SER 0 HB3 SER 0 3.328 6.255 0.837 20 HG SER 0 HG SER 0 2.268 4.555 1.961 21 H MET 1 H MET 1 5.655 7.200 -0.340 22 HA MET 1 HA MET 1 7.007 9.547 0.627 23 HB2 MET 1 HB2 MET 1 5.815 8.871 -2.101 24 HB3 MET 1 HB3 MET 1 6.699 10.353 -1.745 25 HG2 MET 1 HG2 MET 1 8.663 8.999 -0.992 26 HG3 MET 1 HG3 MET 1 7.796 7.543 -1.458 27 HE1 MET 1 HE1 MET 1 8.025 11.094 -3.436 28 HE2 MET 1 HE2 MET 1 9.581 10.823 -2.619 29 HE3 MET 1 HE3 MET 1 9.477 10.750 -4.396 30 H CYS 2 H CYS 2 6.476 11.598 0.747 31 HA CYS 2 HA CYS 2 3.814 12.696 0.153 32 HB2 CYS 2 HB2 CYS 2 3.582 12.023 2.442 33 HB3 CYS 2 HB3 CYS 2 5.166 12.648 2.872 34 H MET 3 H MET 3 4.020 15.198 0.319 35 HA MET 3 HA MET 3 6.725 16.278 0.007 36 HB2 MET 3 HB2 MET 3 6.402 17.165 -2.224 37 HB3 MET 3 HB3 MET 3 6.259 15.417 -2.247 38 HG2 MET 3 HG2 MET 3 3.705 15.789 -2.108 39 HG3 MET 3 HG3 MET 3 4.036 17.478 -2.493 40 HE1 MET 3 HE1 MET 3 5.492 17.259 -6.136 41 HE2 MET 3 HE2 MET 3 5.022 18.319 -4.785 42 HE3 MET 3 HE3 MET 3 6.456 17.270 -4.654 43 H ALA 4 H ALA 4 6.801 18.581 -0.056 44 HA ALA 4 HA ALA 4 4.392 19.980 1.013 45 HB1 ALA 4 HB1 ALA 4 5.741 20.702 2.982 46 HB2 ALA 4 HB2 ALA 4 5.577 18.944 2.918 47 HB3 ALA 4 HB3 ALA 4 7.104 19.713 2.410 48 H LYS 5 H LYS 5 5.098 22.324 1.592 49 HA LYS 5 HA LYS 5 7.153 23.396 -0.284 50 HB2 LYS 5 HB2 LYS 5 5.898 25.457 -0.550 51 HB3 LYS 5 HB3 LYS 5 5.030 24.072 -1.198 52 HG2 LYS 5 HG2 LYS 5 3.558 24.003 0.764 53 HG3 LYS 5 HG3 LYS 5 4.443 25.334 1.532 54 HD2 LYS 5 HD2 LYS 5 2.982 25.575 -1.131 55 HD3 LYS 5 HD3 LYS 5 2.268 25.980 0.440 56 HE2 LYS 5 HE2 LYS 5 4.045 27.646 0.857 57 HE3 LYS 5 HE3 LYS 5 4.810 27.243 -0.676 58 HZ1 LYS 5 HZ1 LYS 5 3.452 29.200 -0.903 59 HZ2 LYS 5 HZ2 LYS 5 2.771 28.008 -1.797 60 HZ3 LYS 5 HZ3 LYS 5 2.110 28.438 -0.355 61 H VAL 6 H VAL 6 8.496 24.962 0.444 62 HA VAL 6 HA VAL 6 8.591 25.374 3.405 63 HB VAL 6 HB VAL 6 10.738 25.482 1.287 64 HG11 VAL 6 HG11 VAL 6 10.915 26.484 4.160 65 HG12 VAL 6 HG12 VAL 6 12.316 26.125 3.136 66 HG13 VAL 6 HG13 VAL 6 11.226 27.424 2.678 67 HG21 VAL 6 HG21 VAL 6 11.778 23.800 2.685 68 HG22 VAL 6 HG22 VAL 6 10.575 24.041 3.968 69 HG23 VAL 6 HG23 VAL 6 10.103 23.297 2.434 70 H VAL 7 H VAL 7 8.659 27.340 4.306 71 HA VAL 7 HA VAL 7 8.168 29.800 2.663 72 HB VAL 7 HB VAL 7 6.804 28.975 5.260 73 HG11 VAL 7 HG11 VAL 7 7.056 31.403 5.160 74 HG12 VAL 7 HG12 VAL 7 6.364 31.423 3.522 75 HG13 VAL 7 HG13 VAL 7 5.374 30.933 4.921 76 HG21 VAL 7 HG21 VAL 7 5.679 29.104 2.442 77 HG22 VAL 7 HG22 VAL 7 5.887 27.656 3.447 78 HG23 VAL 7 HG23 VAL 7 4.724 28.878 3.936 79 H LEU 8 H LEU 8 9.530 31.456 3.177 80 HA LEU 8 HA LEU 8 10.458 31.875 5.917 81 HB2 LEU 8 HB2 LEU 8 12.810 31.781 5.476 82 HB3 LEU 8 HB3 LEU 8 12.098 30.267 4.989 83 HG LEU 8 HG LEU 8 12.029 31.633 2.584 84 HD11 LEU 8 HD11 LEU 8 14.271 32.650 2.281 85 HD12 LEU 8 HD12 LEU 8 13.348 33.548 3.491 86 HD13 LEU 8 HD13 LEU 8 14.626 32.414 4.001 87 HD21 LEU 8 HD21 LEU 8 12.827 29.340 2.942 88 HD22 LEU 8 HD22 LEU 8 13.916 30.287 1.921 89 HD23 LEU 8 HD23 LEU 8 14.345 29.972 3.617 90 H THR 9 H THR 9 11.696 33.964 6.133 91 HA THR 9 HA THR 9 11.201 35.894 3.923 92 HB THR 9 HB THR 9 10.349 36.430 6.796 93 HG1 THR 9 HG1 THR 9 8.885 35.129 5.738 94 HG21 THR 9 HG21 THR 9 9.356 38.496 5.862 95 HG22 THR 9 HG22 THR 9 11.111 38.501 5.633 96 HG23 THR 9 HG23 THR 9 10.036 38.118 4.266 97 H LYS 10 H LYS 10 12.800 37.239 3.572 98 HA LYS 10 HA LYS 10 15.362 36.973 4.896 99 HB2 LYS 10 HB2 LYS 10 14.208 38.821 2.791 100 HB3 LYS 10 HB3 LYS 10 15.900 38.910 3.302 101 HG2 LYS 10 HG2 LYS 10 16.250 36.566 2.580 102 HG3 LYS 10 HG3 LYS 10 14.590 36.511 1.954 103 HD2 LYS 10 HD2 LYS 10 16.671 38.578 1.127 104 HD3 LYS 10 HD3 LYS 10 16.399 37.059 0.245 105 HE2 LYS 10 HE2 LYS 10 14.266 37.705 -0.493 106 HE3 LYS 10 HE3 LYS 10 14.098 38.941 0.765 107 HZ1 LYS 10 HZ1 LYS 10 16.038 39.165 -1.472 108 HZ2 LYS 10 HZ2 LYS 10 14.594 39.919 -1.423 109 HZ3 LYS 10 HZ3 LYS 10 15.733 40.289 -0.311 110 H ALA 11 H ALA 11 16.661 38.764 5.610 111 HA ALA 11 HA ALA 11 15.517 40.337 7.734 112 HB1 ALA 11 HB1 ALA 11 17.810 41.237 7.916 113 HB2 ALA 11 HB2 ALA 11 17.841 39.480 7.724 114 HB3 ALA 11 HB3 ALA 11 18.232 40.520 6.341 115 H ASP 12 H ASP 12 16.102 41.075 4.299 116 HA ASP 12 HA ASP 12 15.557 43.916 4.563 117 HB2 ASP 12 HB2 ASP 12 15.753 43.954 2.200 118 HB3 ASP 12 HB3 ASP 12 17.073 42.999 2.862 119 H GLY 13 H GLY 13 13.534 41.314 4.924 120 HA2 GLY 13 HA2 GLY 13 11.254 41.422 5.364 121 HA3 GLY 13 HA3 GLY 13 11.103 42.906 4.425 122 H GLY 14 H GLY 14 12.862 40.720 2.492 123 HA2 GLY 14 HA2 GLY 14 10.578 40.325 0.716 124 HA3 GLY 14 HA3 GLY 14 12.242 39.804 0.478 125 H ARG 15 H ARG 15 9.121 38.726 0.983 126 HA ARG 15 HA ARG 15 9.672 36.216 2.392 127 HB2 ARG 15 HB2 ARG 15 7.502 37.338 2.481 128 HB3 ARG 15 HB3 ARG 15 7.263 37.086 0.749 129 HG2 ARG 15 HG2 ARG 15 7.145 34.667 1.060 130 HG3 ARG 15 HG3 ARG 15 7.642 34.822 2.760 131 HD2 ARG 15 HD2 ARG 15 5.631 36.011 3.327 132 HD3 ARG 15 HD3 ARG 15 5.121 36.083 1.631 133 HE ARG 15 HE ARG 15 5.047 33.508 1.750 134 HH11 ARG 15 HH11 ARG 15 4.173 35.460 4.560 135 HH12 ARG 15 HH12 ARG 15 3.091 34.217 5.135 136 HH21 ARG 15 HH21 ARG 15 3.740 32.108 2.466 137 HH22 ARG 15 HH22 ARG 15 2.829 32.324 3.971 138 H VAL 16 H VAL 16 9.984 34.241 1.622 139 HA VAL 16 HA VAL 16 10.354 33.754 -1.290 140 HB VAL 16 HB VAL 16 12.388 33.219 0.906 141 HG11 VAL 16 HG11 VAL 16 12.383 31.266 -0.559 142 HG12 VAL 16 HG12 VAL 16 12.448 32.309 -1.997 143 HG13 VAL 16 HG13 VAL 16 13.818 32.230 -0.864 144 HG21 VAL 16 HG21 VAL 16 12.579 34.896 -1.623 145 HG22 VAL 16 HG22 VAL 16 12.532 35.496 0.052 146 HG23 VAL 16 HG23 VAL 16 13.913 34.556 -0.497 147 H GLU 17 H GLU 17 9.753 31.738 -1.962 148 HA GLU 17 HA GLU 17 9.104 29.657 0.041 149 HB2 GLU 17 HB2 GLU 17 7.126 30.618 -2.061 150 HB3 GLU 17 HB3 GLU 17 6.916 29.238 -0.976 151 HG2 GLU 17 HG2 GLU 17 7.063 30.808 0.974 152 HG3 GLU 17 HG3 GLU 17 7.095 32.174 -0.152 153 H ILE 18 H ILE 18 9.125 27.567 -0.697 154 HA ILE 18 HA ILE 18 10.137 27.051 -3.478 155 HB ILE 18 HB ILE 18 11.143 25.782 -0.927 156 HG12 ILE 18 HG12 ILE 18 12.825 27.382 -2.897 157 HG13 ILE 18 HG13 ILE 18 12.014 28.170 -1.539 158 HG21 ILE 18 HG21 ILE 18 11.069 24.147 -2.777 159 HG22 ILE 18 HG22 ILE 18 11.958 25.275 -3.826 160 HG23 ILE 18 HG23 ILE 18 12.731 24.556 -2.400 161 HD11 ILE 18 HD11 ILE 18 13.170 26.793 0.084 162 HD12 ILE 18 HD12 ILE 18 14.008 25.906 -1.203 163 HD13 ILE 18 HD13 ILE 18 14.317 27.633 -0.985 164 H GLY 19 H GLY 19 8.830 25.685 -4.524 165 HA2 GLY 19 HA2 GLY 19 6.793 24.082 -3.089 166 HA3 GLY 19 HA3 GLY 19 6.877 24.380 -4.818 167 H ASP 20 H ASP 20 6.325 21.902 -3.901 168 HA ASP 20 HA ASP 20 6.826 19.721 -4.081 169 HB2 ASP 20 HB2 ASP 20 8.739 20.615 -6.254 170 HB3 ASP 20 HB3 ASP 20 7.950 19.041 -6.110 171 H VAL 21 H VAL 21 8.192 20.749 -1.946 172 HA VAL 21 HA VAL 21 10.966 19.851 -1.859 173 HB VAL 21 HB VAL 21 9.076 20.785 0.319 174 HG11 VAL 21 HG11 VAL 21 12.078 20.276 0.443 175 HG12 VAL 21 HG12 VAL 21 11.107 21.114 1.667 176 HG13 VAL 21 HG13 VAL 21 10.820 19.402 1.349 177 HG21 VAL 21 HG21 VAL 21 11.353 22.160 -1.187 178 HG22 VAL 21 HG22 VAL 21 9.621 22.541 -1.321 179 HG23 VAL 21 HG23 VAL 21 10.480 22.853 0.183 180 H LEU 22 H LEU 22 11.742 17.938 -1.300 181 HA LEU 22 HA LEU 22 9.909 15.814 -0.250 182 HB2 LEU 22 HB2 LEU 22 12.499 15.708 -1.838 183 HB3 LEU 22 HB3 LEU 22 11.831 14.312 -1.015 184 HG LEU 22 HG LEU 22 10.603 15.819 -3.340 185 HD11 LEU 22 HD11 LEU 22 12.400 14.156 -3.797 186 HD12 LEU 22 HD12 LEU 22 11.467 12.920 -2.918 187 HD13 LEU 22 HD13 LEU 22 10.838 13.598 -4.422 188 HD21 LEU 22 HD21 LEU 22 8.799 14.105 -3.323 189 HD22 LEU 22 HD22 LEU 22 9.347 13.561 -1.717 190 HD23 LEU 22 HD23 LEU 22 8.707 15.205 -1.940 191 H GLU 23 H GLU 23 12.812 17.660 0.581 192 HA GLU 23 HA GLU 23 12.500 16.699 3.300 193 HB2 GLU 23 HB2 GLU 23 14.766 15.878 3.635 194 HB3 GLU 23 HB3 GLU 23 13.869 14.873 2.509 195 HG2 GLU 23 HG2 GLU 23 15.062 16.075 0.603 196 HG3 GLU 23 HG3 GLU 23 16.025 16.925 1.817 197 H VAL 24 H VAL 24 13.454 17.887 4.865 198 HA VAL 24 HA VAL 24 14.953 20.354 4.151 199 HB VAL 24 HB VAL 24 12.638 20.257 6.127 200 HG11 VAL 24 HG11 VAL 24 14.339 22.595 5.174 201 HG12 VAL 24 HG12 VAL 24 12.910 22.719 6.217 202 HG13 VAL 24 HG13 VAL 24 14.349 21.900 6.803 203 HG21 VAL 24 HG21 VAL 24 12.825 21.532 3.367 204 HG22 VAL 24 HG22 VAL 24 11.733 20.215 3.872 205 HG23 VAL 24 HG23 VAL 24 11.520 21.834 4.548 206 H ARG 25 H ARG 25 16.497 20.949 5.672 207 HA ARG 25 HA ARG 25 16.986 19.149 8.022 208 HB2 ARG 25 HB2 ARG 25 19.214 19.899 6.137 209 HB3 ARG 25 HB3 ARG 25 19.177 18.628 7.346 210 HG2 ARG 25 HG2 ARG 25 17.537 17.365 5.856 211 HG3 ARG 25 HG3 ARG 25 17.709 18.670 4.670 212 HD2 ARG 25 HD2 ARG 25 20.286 18.169 4.892 213 HD3 ARG 25 HD3 ARG 25 19.739 16.621 5.519 214 HE ARG 25 HE ARG 25 18.685 16.138 3.381 215 HH11 ARG 25 HH11 ARG 25 20.378 19.196 3.244 216 HH12 ARG 25 HH12 ARG 25 20.400 19.218 1.495 217 HH21 ARG 25 HH21 ARG 25 18.633 16.230 1.295 218 HH22 ARG 25 HH22 ARG 25 19.195 17.646 0.402 219 H ALA 26 H ALA 26 18.219 20.061 9.692 220 HA ALA 26 HA ALA 26 18.950 22.959 9.414 221 HB1 ALA 26 HB1 ALA 26 18.282 23.268 11.724 222 HB2 ALA 26 HB2 ALA 26 16.915 22.696 10.754 223 HB3 ALA 26 HB3 ALA 26 17.777 21.574 11.839 224 H GLU 27 H GLU 27 21.014 23.268 9.493 225 HA GLU 27 HA GLU 27 22.901 21.532 11.007 226 HB2 GLU 27 HB2 GLU 27 23.413 23.945 9.216 227 HB3 GLU 27 HB3 GLU 27 24.616 22.872 9.951 228 HG2 GLU 27 HG2 GLU 27 23.609 20.951 8.668 229 HG3 GLU 27 HG3 GLU 27 22.559 22.101 7.827 230 H GLY 28 H GLY 28 24.597 22.836 12.286 231 HA2 GLY 28 HA2 GLY 28 23.373 24.497 14.313 232 HA3 GLY 28 HA3 GLY 28 25.079 24.075 14.177 233 H GLY 29 H GLY 29 22.927 25.897 11.962 234 HA2 GLY 29 HA2 GLY 29 23.713 28.510 12.337 235 HA3 GLY 29 HA3 GLY 29 25.010 27.854 11.341 236 H ALA 30 H ALA 30 22.445 26.132 10.153 237 HA ALA 30 HA ALA 30 21.195 28.165 8.491 238 HB1 ALA 30 HB1 ALA 30 22.174 27.343 6.369 239 HB2 ALA 30 HB2 ALA 30 23.456 27.951 7.432 240 HB3 ALA 30 HB3 ALA 30 23.191 26.200 7.260 241 H VAL 31 H VAL 31 19.489 27.404 7.238 242 HA VAL 31 HA VAL 31 18.666 24.541 7.620 243 HB VAL 31 HB VAL 31 17.034 26.954 6.789 244 HG11 VAL 31 HG11 VAL 31 16.159 25.078 5.505 245 HG12 VAL 31 HG12 VAL 31 16.206 24.014 6.935 246 HG13 VAL 31 HG13 VAL 31 15.085 25.363 6.868 247 HG21 VAL 31 HG21 VAL 31 15.803 26.488 8.868 248 HG22 VAL 31 HG22 VAL 31 16.806 25.044 9.169 249 HG23 VAL 31 HG23 VAL 31 17.525 26.661 9.236 250 H ARG 32 H ARG 32 18.262 23.226 5.897 251 HA ARG 32 HA ARG 32 18.964 24.159 3.143 252 HB2 ARG 32 HB2 ARG 32 19.875 21.620 4.547 253 HB3 ARG 32 HB3 ARG 32 19.951 21.840 2.799 254 HG2 ARG 32 HG2 ARG 32 21.497 23.688 2.993 255 HG3 ARG 32 HG3 ARG 32 21.286 23.757 4.744 256 HD2 ARG 32 HD2 ARG 32 23.387 22.706 4.261 257 HD3 ARG 32 HD3 ARG 32 22.303 21.536 5.014 258 HE ARG 32 HE ARG 32 22.086 21.251 2.176 259 HH11 ARG 32 HH11 ARG 32 24.545 20.682 4.659 260 HH12 ARG 32 HH12 ARG 32 25.270 19.406 3.705 261 HH21 ARG 32 HH21 ARG 32 23.021 19.682 1.090 262 HH22 ARG 32 HH22 ARG 32 24.462 18.867 1.703 263 H VAL 33 H VAL 33 17.858 23.219 1.479 264 HA VAL 33 HA VAL 33 15.399 21.618 2.087 265 HB VAL 33 HB VAL 33 15.553 24.212 0.487 266 HG11 VAL 33 HG11 VAL 33 13.850 22.744 -0.479 267 HG12 VAL 33 HG12 VAL 33 13.171 22.421 1.139 268 HG13 VAL 33 HG13 VAL 33 13.059 24.036 0.416 269 HG21 VAL 33 HG21 VAL 33 14.121 25.204 2.177 270 HG22 VAL 33 HG22 VAL 33 14.206 23.727 3.164 271 HG23 VAL 33 HG23 VAL 33 15.648 24.723 2.885 272 H THR 34 H THR 34 14.993 20.054 0.543 273 HA THR 34 HA THR 34 16.281 20.329 -2.139 274 HB THR 34 HB THR 34 16.284 17.822 -0.439 275 HG1 THR 34 HG1 THR 34 17.806 19.544 0.002 276 HG21 THR 34 HG21 THR 34 17.724 16.888 -2.239 277 HG22 THR 34 HG22 THR 34 16.066 17.158 -2.773 278 HG23 THR 34 HG23 THR 34 17.337 18.307 -3.254 279 H THR 35 H THR 35 15.090 19.927 -3.854 280 HA THR 35 HA THR 35 12.229 19.362 -3.468 281 HB THR 35 HB THR 35 11.874 20.225 -5.629 282 HG1 THR 35 HG1 THR 35 13.617 20.810 -6.960 283 HG21 THR 35 HG21 THR 35 12.377 21.928 -3.877 284 HG22 THR 35 HG22 THR 35 14.072 21.959 -4.425 285 HG23 THR 35 HG23 THR 35 12.769 22.459 -5.519 286 H LEU 36 H LEU 36 11.036 18.181 -5.092 287 HA LEU 36 HA LEU 36 11.634 15.479 -5.563 288 HB2 LEU 36 HB2 LEU 36 9.410 16.464 -5.560 289 HB3 LEU 36 HB3 LEU 36 9.836 17.533 -6.896 290 HG LEU 36 HG LEU 36 9.916 15.614 -8.446 291 HD11 LEU 36 HD11 LEU 36 10.508 13.783 -6.879 292 HD12 LEU 36 HD12 LEU 36 8.944 13.980 -6.045 293 HD13 LEU 36 HD13 LEU 36 9.000 13.426 -7.732 294 HD21 LEU 36 HD21 LEU 36 7.377 15.751 -6.787 295 HD22 LEU 36 HD22 LEU 36 7.828 16.875 -8.093 296 HD23 LEU 36 HD23 LEU 36 7.506 15.173 -8.465 297 H PHE 37 H PHE 37 12.798 18.250 -7.308 298 HA PHE 37 HA PHE 37 13.761 16.562 -9.567 299 HB2 PHE 37 HB2 PHE 37 13.401 19.566 -9.467 300 HB3 PHE 37 HB3 PHE 37 13.835 18.593 -10.872 301 HD1 PHE 37 HD1 PHE 37 12.168 16.808 -11.686 302 HD2 PHE 37 HD2 PHE 37 11.090 19.870 -8.843 303 HE1 PHE 37 HE1 PHE 37 9.761 16.329 -12.086 304 HE2 PHE 37 HE2 PHE 37 8.692 19.373 -9.231 305 HZ PHE 37 HZ PHE 37 8.020 17.588 -10.832 306 H ASP 38 H ASP 38 14.958 16.997 -6.805 307 HA ASP 38 HA ASP 38 16.954 17.046 -5.828 308 HB2 ASP 38 HB2 ASP 38 18.170 16.517 -8.550 309 HB3 ASP 38 HB3 ASP 38 18.885 16.182 -6.975 310 H GLU 39 H GLU 39 15.955 19.663 -6.983 311 HA GLU 39 HA GLU 39 18.440 21.273 -7.132 312 HB2 GLU 39 HB2 GLU 39 15.550 22.158 -6.778 313 HB3 GLU 39 HB3 GLU 39 16.929 23.210 -7.017 314 HG2 GLU 39 HG2 GLU 39 15.828 21.196 -9.027 315 HG3 GLU 39 HG3 GLU 39 15.652 22.951 -9.076 316 H GLU 40 H GLU 40 19.450 22.167 -5.416 317 HA GLU 40 HA GLU 40 18.201 21.846 -2.729 318 HB2 GLU 40 HB2 GLU 40 20.141 20.391 -3.034 319 HB3 GLU 40 HB3 GLU 40 21.158 21.799 -3.379 320 HG2 GLU 40 HG2 GLU 40 20.871 22.641 -1.122 321 HG3 GLU 40 HG3 GLU 40 19.581 21.480 -0.806 322 H HIS 41 H HIS 41 18.189 23.487 -1.326 323 HA HIS 41 HA HIS 41 19.347 26.140 -2.078 324 HB2 HIS 41 HB2 HIS 41 16.615 25.746 -0.825 325 HB3 HIS 41 HB3 HIS 41 17.327 27.235 -1.431 326 HD2 HIS 41 HD2 HIS 41 15.482 24.074 -2.525 327 HE1 HIS 41 HE1 HIS 41 15.836 26.465 -6.033 328 HE2 HIS 41 HE2 HIS 41 14.758 24.387 -5.032 329 H ALA 42 H ALA 42 19.975 27.437 -0.297 330 HA ALA 42 HA ALA 42 19.843 26.233 2.412 331 HB1 ALA 42 HB1 ALA 42 21.929 25.446 1.344 332 HB2 ALA 42 HB2 ALA 42 22.427 27.131 1.089 333 HB3 ALA 42 HB3 ALA 42 22.237 26.492 2.743 334 H PHE 43 H PHE 43 19.823 27.605 4.095 335 HA PHE 43 HA PHE 43 19.806 30.553 3.619 336 HB2 PHE 43 HB2 PHE 43 17.603 28.940 4.917 337 HB3 PHE 43 HB3 PHE 43 17.674 30.696 4.759 338 HD1 PHE 43 HD1 PHE 43 17.600 31.742 2.443 339 HD2 PHE 43 HD2 PHE 43 16.829 27.549 3.117 340 HE1 PHE 43 HE1 PHE 43 16.586 31.561 0.186 341 HE2 PHE 43 HE2 PHE 43 15.833 27.366 0.857 342 HZ PHE 43 HZ PHE 43 15.720 29.381 -0.627 343 HA PRO 44 HA PRO 44 22.187 29.915 7.474 344 HB2 PRO 44 HB2 PRO 44 22.903 32.758 6.817 345 HB3 PRO 44 HB3 PRO 44 23.942 31.435 7.439 346 HG2 PRO 44 HG2 PRO 44 24.016 32.094 4.805 347 HG3 PRO 44 HG3 PRO 44 23.982 30.359 5.282 348 HD2 PRO 44 HD2 PRO 44 21.664 32.121 4.389 349 HD3 PRO 44 HD3 PRO 44 22.099 30.470 3.852 350 H GLY 45 H GLY 45 21.928 30.599 9.577 351 HA2 GLY 45 HA2 GLY 45 21.212 31.796 11.407 352 HA3 GLY 45 HA3 GLY 45 20.631 33.069 10.333 353 H LEU 46 H LEU 46 19.210 30.093 9.517 354 HA LEU 46 HA LEU 46 16.683 30.802 10.935 355 HB2 LEU 46 HB2 LEU 46 17.091 29.083 8.465 356 HB3 LEU 46 HB3 LEU 46 15.547 29.515 9.188 357 HG LEU 46 HG LEU 46 17.470 31.347 7.714 358 HD11 LEU 46 HD11 LEU 46 14.552 30.625 7.216 359 HD12 LEU 46 HD12 LEU 46 15.620 31.566 6.154 360 HD13 LEU 46 HD13 LEU 46 15.917 29.839 6.420 361 HD21 LEU 46 HD21 LEU 46 16.559 32.691 9.529 362 HD22 LEU 46 HD22 LEU 46 15.720 33.130 8.036 363 HD23 LEU 46 HD23 LEU 46 14.910 32.074 9.218 364 H ALA 47 H ALA 47 15.286 29.046 11.515 365 HA ALA 47 HA ALA 47 16.368 26.321 11.607 366 HB1 ALA 47 HB1 ALA 47 16.834 27.118 13.857 367 HB2 ALA 47 HB2 ALA 47 15.146 27.669 14.051 368 HB3 ALA 47 HB3 ALA 47 15.521 25.930 13.904 369 H ILE 48 H ILE 48 14.607 24.733 11.869 370 HA ILE 48 HA ILE 48 12.240 25.413 10.279 371 HB ILE 48 HB ILE 48 12.916 22.894 11.835 372 HG12 ILE 48 HG12 ILE 48 13.220 23.382 8.835 373 HG13 ILE 48 HG13 ILE 48 14.558 23.476 9.980 374 HG21 ILE 48 HG21 ILE 48 10.823 23.388 9.671 375 HG22 ILE 48 HG22 ILE 48 11.182 21.814 10.414 376 HG23 ILE 48 HG23 ILE 48 10.480 23.096 11.389 377 HD11 ILE 48 HD11 ILE 48 14.705 21.325 9.034 378 HD12 ILE 48 HD12 ILE 48 14.088 21.096 10.675 379 HD13 ILE 48 HD13 ILE 48 12.978 20.996 9.280 380 H GLY 49 H GLY 49 10.614 26.574 11.115 381 HA2 GLY 49 HA2 GLY 49 10.311 26.931 14.012 382 HA3 GLY 49 HA3 GLY 49 9.465 27.784 12.722 383 H ARG 50 H ARG 50 8.178 25.933 11.298 384 HA ARG 50 HA ARG 50 6.799 23.994 13.043 385 HB2 ARG 50 HB2 ARG 50 5.512 26.079 13.363 386 HB3 ARG 50 HB3 ARG 50 5.274 26.220 11.618 387 HG2 ARG 50 HG2 ARG 50 3.919 24.197 11.557 388 HG3 ARG 50 HG3 ARG 50 4.289 23.840 13.252 389 HD2 ARG 50 HD2 ARG 50 3.071 25.821 13.986 390 HD3 ARG 50 HD3 ARG 50 2.834 26.361 12.333 391 HE ARG 50 HE ARG 50 1.460 24.081 13.701 392 HH11 ARG 50 HH11 ARG 50 1.688 25.951 10.709 393 HH12 ARG 50 HH12 ARG 50 0.239 25.191 10.084 394 HH21 ARG 50 HH21 ARG 50 -0.253 23.217 12.819 395 HH22 ARG 50 HH22 ARG 50 -0.728 23.576 11.150 396 H VAL 51 H VAL 51 6.162 22.237 12.023 397 HA VAL 51 HA VAL 51 5.843 22.238 9.064 398 HB VAL 51 HB VAL 51 7.727 20.878 9.362 399 HG11 VAL 51 HG11 VAL 51 7.647 20.415 11.755 400 HG12 VAL 51 HG12 VAL 51 6.272 19.302 11.505 401 HG13 VAL 51 HG13 VAL 51 7.869 18.929 10.824 402 HG21 VAL 51 HG21 VAL 51 6.976 18.695 8.563 403 HG22 VAL 51 HG22 VAL 51 5.363 18.962 9.195 404 HG23 VAL 51 HG23 VAL 51 5.953 19.950 7.846 405 H ASP 52 H ASP 52 3.956 21.610 8.316 406 HA ASP 52 HA ASP 52 1.947 20.253 10.070 407 HB2 ASP 52 HB2 ASP 52 1.557 22.647 10.143 408 HB3 ASP 52 HB3 ASP 52 1.596 22.764 8.395 409 H LEU 53 H LEU 53 1.618 18.367 9.140 410 HA LEU 53 HA LEU 53 2.062 17.962 6.266 411 HB2 LEU 53 HB2 LEU 53 1.390 16.019 8.504 412 HB3 LEU 53 HB3 LEU 53 1.936 15.592 6.878 413 HG LEU 53 HG LEU 53 3.582 17.087 8.959 414 HD11 LEU 53 HD11 LEU 53 3.324 14.737 9.475 415 HD12 LEU 53 HD12 LEU 53 3.842 14.289 7.824 416 HD13 LEU 53 HD13 LEU 53 4.975 15.087 8.946 417 HD21 LEU 53 HD21 LEU 53 4.251 17.863 6.725 418 HD22 LEU 53 HD22 LEU 53 5.472 16.742 7.335 419 HD23 LEU 53 HD23 LEU 53 4.296 16.181 6.135 420 H ARG 54 H ARG 54 -0.685 18.734 8.117 421 HA ARG 54 HA ARG 54 -2.629 17.461 6.280 422 HB2 ARG 54 HB2 ARG 54 -2.803 18.436 8.863 423 HB3 ARG 54 HB3 ARG 54 -3.533 19.748 7.980 424 HG2 ARG 54 HG2 ARG 54 -4.396 16.822 7.742 425 HG3 ARG 54 HG3 ARG 54 -5.070 17.959 8.897 426 HD2 ARG 54 HD2 ARG 54 -6.626 17.870 7.151 427 HD3 ARG 54 HD3 ARG 54 -5.807 19.422 7.000 428 HE ARG 54 HE ARG 54 -4.488 18.512 5.139 429 HH11 ARG 54 HH11 ARG 54 -7.367 16.597 5.846 430 HH12 ARG 54 HH12 ARG 54 -7.352 15.937 4.216 431 HH21 ARG 54 HH21 ARG 54 -4.595 17.574 3.159 432 HH22 ARG 54 HH22 ARG 54 -5.920 16.467 2.813 433 H SER 55 H SER 55 -1.285 20.705 6.948 434 HA SER 55 HA SER 55 -2.413 21.932 4.547 435 HB2 SER 55 HB2 SER 55 -0.152 22.840 6.377 436 HB3 SER 55 HB3 SER 55 -0.930 23.815 5.105 437 HG SER 55 HG SER 55 -1.888 23.084 7.620 438 H GLY 56 H GLY 56 0.606 20.254 5.256 439 HA2 GLY 56 HA2 GLY 56 2.274 19.474 3.834 440 HA3 GLY 56 HA3 GLY 56 1.437 20.149 2.430 441 H VAL 57 H VAL 57 2.523 21.799 5.440 442 HA VAL 57 HA VAL 57 4.236 23.637 3.799 443 HB VAL 57 HB VAL 57 2.196 24.437 5.894 444 HG11 VAL 57 HG11 VAL 57 4.131 25.944 6.090 445 HG12 VAL 57 HG12 VAL 57 4.183 26.141 4.313 446 HG13 VAL 57 HG13 VAL 57 2.827 26.777 5.253 447 HG21 VAL 57 HG21 VAL 57 1.181 23.956 3.688 448 HG22 VAL 57 HG22 VAL 57 1.147 25.679 4.031 449 HG23 VAL 57 HG23 VAL 57 2.363 25.034 2.908 450 H ILE 58 H ILE 58 6.108 24.292 4.616 451 HA ILE 58 HA ILE 58 6.804 23.713 7.467 452 HB ILE 58 HB ILE 58 8.571 23.400 5.019 453 HG12 ILE 58 HG12 ILE 58 7.632 21.315 7.032 454 HG13 ILE 58 HG13 ILE 58 6.942 21.526 5.432 455 HG21 ILE 58 HG21 ILE 58 9.217 23.032 7.979 456 HG22 ILE 58 HG22 ILE 58 10.329 22.700 6.636 457 HG23 ILE 58 HG23 ILE 58 9.846 24.345 6.956 458 HD11 ILE 58 HD11 ILE 58 8.452 19.684 5.368 459 HD12 ILE 58 HD12 ILE 58 9.147 21.001 4.400 460 HD13 ILE 58 HD13 ILE 58 9.780 20.635 6.031 461 H SER 59 H SER 59 6.747 25.635 8.425 462 HA SER 59 HA SER 59 7.703 28.100 7.083 463 HB2 SER 59 HB2 SER 59 5.543 28.127 8.304 464 HB3 SER 59 HB3 SER 59 6.400 27.686 9.785 465 HG SER 59 HG SER 59 6.570 30.100 8.281 466 H LEU 60 H LEU 60 9.701 28.825 7.351 467 HA LEU 60 HA LEU 60 11.410 27.858 9.592 468 HB2 LEU 60 HB2 LEU 60 12.215 29.576 7.237 469 HB3 LEU 60 HB3 LEU 60 13.267 28.737 8.378 470 HG LEU 60 HG LEU 60 11.517 27.474 6.219 471 HD11 LEU 60 HD11 LEU 60 13.584 28.547 5.433 472 HD12 LEU 60 HD12 LEU 60 14.530 27.619 6.610 473 HD13 LEU 60 HD13 LEU 60 13.682 26.794 5.277 474 HD21 LEU 60 HD21 LEU 60 13.295 26.123 8.292 475 HD22 LEU 60 HD22 LEU 60 11.534 25.959 8.140 476 HD23 LEU 60 HD23 LEU 60 12.574 25.316 6.877 477 H ILE 61 H ILE 61 12.489 29.263 10.939 478 HA ILE 61 HA ILE 61 11.639 32.118 11.040 479 HB ILE 61 HB ILE 61 11.279 32.054 13.416 480 HG12 ILE 61 HG12 ILE 61 10.882 29.461 14.268 481 HG13 ILE 61 HG13 ILE 61 12.288 29.267 13.221 482 HG21 ILE 61 HG21 ILE 61 9.533 29.961 12.060 483 HG22 ILE 61 HG22 ILE 61 9.137 30.928 13.497 484 HG23 ILE 61 HG23 ILE 61 9.357 31.722 11.932 485 HD11 ILE 61 HD11 ILE 61 13.501 30.972 14.533 486 HD12 ILE 61 HD12 ILE 61 12.058 31.218 15.546 487 HD13 ILE 61 HD13 ILE 61 12.912 29.665 15.576 488 H GLU 62 H GLU 62 13.021 33.473 12.270 489 HA GLU 62 HA GLU 62 15.833 32.920 11.755 490 HB2 GLU 62 HB2 GLU 62 14.626 35.271 13.259 491 HB3 GLU 62 HB3 GLU 62 16.235 35.139 12.565 492 HG2 GLU 62 HG2 GLU 62 15.323 36.305 10.878 493 HG3 GLU 62 HG3 GLU 62 14.832 34.725 10.293 494 H GLU 63 H GLU 63 17.134 31.768 13.072 495 HA GLU 63 HA GLU 63 16.338 31.349 15.891 496 HB2 GLU 63 HB2 GLU 63 16.800 29.414 14.454 497 HB3 GLU 63 HB3 GLU 63 18.472 29.950 14.256 498 HG2 GLU 63 HG2 GLU 63 18.238 28.144 15.923 499 HG3 GLU 63 HG3 GLU 63 18.906 29.607 16.626 500 H GLN 64 H GLN 64 17.523 31.978 17.626 501 HA GLN 64 HA GLN 64 19.526 34.136 17.070 502 HB2 GLN 64 HB2 GLN 64 16.919 34.248 18.606 503 HB3 GLN 64 HB3 GLN 64 18.140 35.525 18.680 504 HG2 GLN 64 HG2 GLN 64 17.887 36.092 16.379 505 HG3 GLN 64 HG3 GLN 64 17.004 34.624 16.011 506 HE21 GLN 64 HE21 GLN 64 14.771 34.700 16.010 507 HE22 GLN 64 HE22 GLN 64 13.857 36.039 16.711 508 H ASN 65 H ASN 65 19.520 31.344 18.602 509 HA ASN 65 HA ASN 65 20.694 31.978 21.150 510 HB2 ASN 65 HB2 ASN 65 19.751 29.762 20.364 511 HB3 ASN 65 HB3 ASN 65 21.195 29.579 19.357 512 HD21 ASN 65 HD21 ASN 65 21.326 27.557 20.642 513 HD22 ASN 65 HD22 ASN 65 22.193 27.641 22.177 514 H ARG 66 H ARG 66 21.909 32.220 17.922 515 HA ARG 66 HA ARG 66 24.755 32.279 18.361 516 HB2 ARG 66 HB2 ARG 66 24.823 33.382 16.137 517 HB3 ARG 66 HB3 ARG 66 23.934 31.863 16.167 518 HG2 ARG 66 HG2 ARG 66 21.779 33.122 16.213 519 HG3 ARG 66 HG3 ARG 66 22.682 34.640 16.109 520 HD2 ARG 66 HD2 ARG 66 23.517 34.089 13.916 521 HD3 ARG 66 HD3 ARG 66 22.944 32.420 14.057 522 HE ARG 66 HE ARG 66 20.613 33.261 14.060 523 HH11 ARG 66 HH11 ARG 66 22.916 35.617 12.857 524 HH12 ARG 66 HH12 ARG 66 21.697 36.415 11.902 525 HH21 ARG 66 HH21 ARG 66 19.220 34.151 12.705 526 HH22 ARG 66 HH22 ARG 66 19.612 35.641 11.871 527 H1 GLY -3 H1 GLY -3 -16.119 14.491 1.635 528 H2 GLY -3 H2 GLY -3 -17.136 13.433 2.358 529 H3 GLY -3 H3 GLY -3 -15.750 12.892 1.658 530 HA2 GLY -3 HA2 GLY -3 -15.926 14.614 4.035 531 HA3 GLY -3 HA3 GLY -3 -15.505 12.890 4.032 532 HA PRO -2 HA PRO -2 -11.575 15.386 4.022 533 HB2 PRO -2 HB2 PRO -2 -10.845 13.073 5.795 534 HB3 PRO -2 HB3 PRO -2 -10.397 14.795 5.949 535 HG2 PRO -2 HG2 PRO -2 -12.355 13.772 7.509 536 HG3 PRO -2 HG3 PRO -2 -12.606 15.360 6.715 537 HD2 PRO -2 HD2 PRO -2 -13.593 12.640 5.805 538 HD3 PRO -2 HD3 PRO -2 -14.494 14.183 5.941 539 H GLY -1 H GLY -1 -9.503 14.930 3.147 540 HA2 GLY -1 HA2 GLY -1 -8.702 12.318 2.168 541 HA3 GLY -1 HA3 GLY -1 -9.326 13.349 0.875 542 H SER 0 H SER 0 -6.961 12.712 0.330 543 HA SER 0 HA SER 0 -4.799 13.238 -0.052 544 HB2 SER 0 HB2 SER 0 -5.767 16.085 0.339 545 HB3 SER 0 HB3 SER 0 -4.313 15.590 -0.545 546 HG SER 0 HG SER 0 -5.615 14.543 -2.061 547 H MET 1 H MET 1 -5.265 12.572 2.676 548 HA MET 1 HA MET 1 -3.860 14.280 4.511 549 HB2 MET 1 HB2 MET 1 -4.697 11.367 4.537 550 HB3 MET 1 HB3 MET 1 -3.765 12.055 5.857 551 HG2 MET 1 HG2 MET 1 -6.420 13.195 4.905 552 HG3 MET 1 HG3 MET 1 -6.255 12.033 6.215 553 HE1 MET 1 HE1 MET 1 -5.186 12.481 8.535 554 HE2 MET 1 HE2 MET 1 -3.627 13.075 7.893 555 HE3 MET 1 HE3 MET 1 -4.519 14.041 9.077 556 H CYS 2 H CYS 2 -1.894 14.123 5.482 557 HA CYS 2 HA CYS 2 0.023 12.013 4.826 558 HB2 CYS 2 HB2 CYS 2 0.698 13.549 3.159 559 HB3 CYS 2 HB3 CYS 2 0.534 14.936 4.216 560 H MET 3 H MET 3 1.389 11.590 6.515 561 HA MET 3 HA MET 3 1.651 13.295 8.853 562 HB2 MET 3 HB2 MET 3 0.747 11.745 10.472 563 HB3 MET 3 HB3 MET 3 -0.505 12.242 9.356 564 HG2 MET 3 HG2 MET 3 -0.251 10.074 8.143 565 HG3 MET 3 HG3 MET 3 1.001 9.593 9.307 566 HE1 MET 3 HE1 MET 3 -1.388 7.679 8.769 567 HE2 MET 3 HE2 MET 3 -0.161 7.381 10.019 568 HE3 MET 3 HE3 MET 3 -1.889 7.248 10.420 569 H ALA 4 H ALA 4 3.238 12.439 10.359 570 HA ALA 4 HA ALA 4 5.161 10.503 9.123 571 HB1 ALA 4 HB1 ALA 4 5.840 12.810 8.656 572 HB2 ALA 4 HB2 ALA 4 5.736 13.204 10.397 573 HB3 ALA 4 HB3 ALA 4 6.959 12.069 9.796 574 H LYS 5 H LYS 5 7.023 10.105 10.785 575 HA LYS 5 HA LYS 5 5.982 9.967 13.582 576 HB2 LYS 5 HB2 LYS 5 7.174 7.919 14.011 577 HB3 LYS 5 HB3 LYS 5 6.050 7.719 12.667 578 HG2 LYS 5 HG2 LYS 5 8.006 7.971 11.076 579 HG3 LYS 5 HG3 LYS 5 9.082 8.018 12.493 580 HD2 LYS 5 HD2 LYS 5 8.144 5.777 13.179 581 HD3 LYS 5 HD3 LYS 5 7.196 5.759 11.691 582 HE2 LYS 5 HE2 LYS 5 9.141 4.408 11.335 583 HE3 LYS 5 HE3 LYS 5 9.327 5.877 10.364 584 HZ1 LYS 5 HZ1 LYS 5 11.366 5.213 11.651 585 HZ2 LYS 5 HZ2 LYS 5 10.871 6.722 12.042 586 HZ3 LYS 5 HZ3 LYS 5 10.545 5.474 13.052 587 H VAL 6 H VAL 6 7.194 10.751 15.149 588 HA VAL 6 HA VAL 6 9.668 12.259 14.425 589 HB VAL 6 HB VAL 6 7.798 12.472 16.780 590 HG11 VAL 6 HG11 VAL 6 10.480 13.865 16.339 591 HG12 VAL 6 HG12 VAL 6 9.254 14.419 17.490 592 HG13 VAL 6 HG13 VAL 6 10.007 12.855 17.732 593 HG21 VAL 6 HG21 VAL 6 8.680 14.578 14.768 594 HG22 VAL 6 HG22 VAL 6 7.213 13.611 14.560 595 HG23 VAL 6 HG23 VAL 6 7.381 14.692 15.953 596 H VAL 7 H VAL 7 11.656 11.713 15.253 597 HA VAL 7 HA VAL 7 11.778 9.745 17.468 598 HB VAL 7 HB VAL 7 12.018 8.522 15.376 599 HG11 VAL 7 HG11 VAL 7 14.031 8.716 13.975 600 HG12 VAL 7 HG12 VAL 7 13.107 10.223 13.947 601 HG13 VAL 7 HG13 VAL 7 14.584 10.105 14.938 602 HG21 VAL 7 HG21 VAL 7 13.137 7.727 17.427 603 HG22 VAL 7 HG22 VAL 7 13.994 7.260 15.950 604 HG23 VAL 7 HG23 VAL 7 14.621 8.584 16.953 605 H LEU 8 H LEU 8 13.384 9.898 18.885 606 HA LEU 8 HA LEU 8 15.571 11.842 18.671 607 HB2 LEU 8 HB2 LEU 8 14.901 13.178 20.564 608 HB3 LEU 8 HB3 LEU 8 13.610 13.169 19.380 609 HG LEU 8 HG LEU 8 12.775 11.090 20.982 610 HD11 LEU 8 HD11 LEU 8 14.114 13.116 22.830 611 HD12 LEU 8 HD12 LEU 8 12.982 11.844 23.339 612 HD13 LEU 8 HD13 LEU 8 14.558 11.404 22.664 613 HD21 LEU 8 HD21 LEU 8 11.200 12.646 21.957 614 HD22 LEU 8 HD22 LEU 8 12.209 14.025 21.499 615 HD23 LEU 8 HD23 LEU 8 11.429 13.031 20.247 616 H THR 9 H THR 9 16.883 11.781 20.799 617 HA THR 9 HA THR 9 16.859 9.039 21.997 618 HB THR 9 HB THR 9 19.386 10.426 21.043 619 HG1 THR 9 HG1 THR 9 18.203 9.765 19.295 620 HG21 THR 9 HG21 THR 9 19.771 8.815 22.895 621 HG22 THR 9 HG22 THR 9 18.845 7.578 22.014 622 HG23 THR 9 HG23 THR 9 20.378 8.178 21.358 623 H LYS 10 H LYS 10 17.111 8.952 24.102 624 HA LYS 10 HA LYS 10 17.240 11.333 25.776 625 HB2 LYS 10 HB2 LYS 10 17.339 8.338 26.400 626 HB3 LYS 10 HB3 LYS 10 17.234 9.613 27.620 627 HG2 LYS 10 HG2 LYS 10 15.058 10.348 26.757 628 HG3 LYS 10 HG3 LYS 10 15.156 9.184 25.435 629 HD2 LYS 10 HD2 LYS 10 13.695 8.318 27.172 630 HD3 LYS 10 HD3 LYS 10 15.136 7.303 27.055 631 HE2 LYS 10 HE2 LYS 10 16.107 8.525 29.012 632 HE3 LYS 10 HE3 LYS 10 14.630 9.493 29.135 633 HZ1 LYS 10 HZ1 LYS 10 13.414 7.444 29.588 634 HZ2 LYS 10 HZ2 LYS 10 14.769 6.540 29.403 635 HZ3 LYS 10 HZ3 LYS 10 14.657 7.572 30.649 636 H ALA 11 H ALA 11 18.693 11.563 27.592 637 HA ALA 11 HA ALA 11 21.490 11.565 26.976 638 HB1 ALA 11 HB1 ALA 11 21.718 12.235 29.339 639 HB2 ALA 11 HB2 ALA 11 20.374 13.102 28.573 640 HB3 ALA 11 HB3 ALA 11 20.040 11.733 29.661 641 H ASP 12 H ASP 12 19.422 9.145 28.492 642 HA ASP 12 HA ASP 12 21.453 7.382 29.525 643 HB2 ASP 12 HB2 ASP 12 18.587 6.866 28.614 644 HB3 ASP 12 HB3 ASP 12 19.557 5.799 29.607 645 H GLY 13 H GLY 13 20.769 8.169 26.311 646 HA2 GLY 13 HA2 GLY 13 21.516 7.256 24.303 647 HA3 GLY 13 HA3 GLY 13 22.054 5.794 25.143 648 H GLY 14 H GLY 14 18.867 6.513 26.049 649 HA2 GLY 14 HA2 GLY 14 17.787 4.219 24.581 650 HA3 GLY 14 HA3 GLY 14 16.960 5.194 25.787 651 H ARG 15 H ARG 15 16.572 4.273 22.768 652 HA ARG 15 HA ARG 15 16.017 6.796 21.389 653 HB2 ARG 15 HB2 ARG 15 16.568 4.384 20.399 654 HB3 ARG 15 HB3 ARG 15 14.840 4.119 20.580 655 HG2 ARG 15 HG2 ARG 15 15.067 4.904 18.358 656 HG3 ARG 15 HG3 ARG 15 14.544 6.336 19.238 657 HD2 ARG 15 HD2 ARG 15 16.329 7.038 17.805 658 HD3 ARG 15 HD3 ARG 15 16.999 6.989 19.440 659 HE ARG 15 HE ARG 15 17.316 4.591 17.698 660 HH11 ARG 15 HH11 ARG 15 18.990 7.366 19.110 661 HH12 ARG 15 HH12 ARG 15 20.550 6.642 18.779 662 HH21 ARG 15 HH21 ARG 15 19.318 3.823 17.280 663 HH22 ARG 15 HH22 ARG 15 20.733 4.722 17.754 664 H VAL 16 H VAL 16 14.091 7.822 21.069 665 HA VAL 16 HA VAL 16 11.595 6.725 22.283 666 HB VAL 16 HB VAL 16 12.735 9.509 22.639 667 HG11 VAL 16 HG11 VAL 16 10.626 10.133 23.775 668 HG12 VAL 16 HG12 VAL 16 10.366 9.812 22.060 669 HG13 VAL 16 HG13 VAL 16 9.891 8.593 23.266 670 HG21 VAL 16 HG21 VAL 16 11.751 7.442 24.647 671 HG22 VAL 16 HG22 VAL 16 13.445 7.879 24.328 672 HG23 VAL 16 HG23 VAL 16 12.346 9.072 25.027 673 H GLU 17 H GLU 17 9.863 6.851 20.956 674 HA GLU 17 HA GLU 17 10.025 8.437 18.459 675 HB2 GLU 17 HB2 GLU 17 11.007 6.234 18.044 676 HB3 GLU 17 HB3 GLU 17 9.570 5.437 18.694 677 HG2 GLU 17 HG2 GLU 17 8.215 6.281 16.852 678 HG3 GLU 17 HG3 GLU 17 9.561 7.270 16.270 679 H ILE 18 H ILE 18 8.099 9.125 17.648 680 HA ILE 18 HA ILE 18 5.539 8.373 19.015 681 HB ILE 18 HB ILE 18 6.413 11.152 18.182 682 HG12 ILE 18 HG12 ILE 18 5.718 10.300 21.014 683 HG13 ILE 18 HG13 ILE 18 7.366 10.200 20.419 684 HG21 ILE 18 HG21 ILE 18 4.242 11.907 19.122 685 HG22 ILE 18 HG22 ILE 18 3.973 10.784 17.813 686 HG23 ILE 18 HG23 ILE 18 3.808 10.227 19.479 687 HD11 ILE 18 HD11 ILE 18 6.989 12.289 21.626 688 HD12 ILE 18 HD12 ILE 18 7.458 12.569 19.935 689 HD13 ILE 18 HD13 ILE 18 5.776 12.786 20.439 690 H GLY 19 H GLY 19 4.175 7.533 17.597 691 HA2 GLY 19 HA2 GLY 19 4.535 7.881 14.675 692 HA3 GLY 19 HA3 GLY 19 3.449 6.760 15.476 693 H ASP 20 H ASP 20 2.549 8.084 13.355 694 HA ASP 20 HA ASP 20 0.802 9.228 12.537 695 HB2 ASP 20 HB2 ASP 20 -0.419 8.951 15.286 696 HB3 ASP 20 HB3 ASP 20 -1.249 9.042 13.740 697 H VAL 21 H VAL 21 2.847 10.964 13.404 698 HA VAL 21 HA VAL 21 1.778 13.269 14.806 699 HB VAL 21 HB VAL 21 4.386 12.881 13.296 700 HG11 VAL 21 HG11 VAL 21 3.512 15.152 15.119 701 HG12 VAL 21 HG12 VAL 21 5.157 14.869 14.538 702 HG13 VAL 21 HG13 VAL 21 3.895 15.272 13.385 703 HG21 VAL 21 HG21 VAL 21 5.325 12.728 15.610 704 HG22 VAL 21 HG22 VAL 21 3.688 12.821 16.271 705 HG23 VAL 21 HG23 VAL 21 4.179 11.433 15.283 706 H LEU 22 H LEU 22 0.726 14.929 14.025 707 HA LEU 22 HA LEU 22 0.277 15.195 11.115 708 HB2 LEU 22 HB2 LEU 22 -1.549 14.858 12.770 709 HB3 LEU 22 HB3 LEU 22 -1.159 16.384 13.539 710 HG LEU 22 HG LEU 22 -3.162 16.372 12.115 711 HD11 LEU 22 HD11 LEU 22 -2.926 18.473 11.115 712 HD12 LEU 22 HD12 LEU 22 -1.819 18.481 12.494 713 HD13 LEU 22 HD13 LEU 22 -1.179 18.275 10.848 714 HD21 LEU 22 HD21 LEU 22 -2.285 14.793 10.382 715 HD22 LEU 22 HD22 LEU 22 -3.108 16.217 9.730 716 HD23 LEU 22 HD23 LEU 22 -1.329 16.133 9.713 717 H GLU 23 H GLU 23 1.438 17.030 13.943 718 HA GLU 23 HA GLU 23 2.918 18.852 12.168 719 HB2 GLU 23 HB2 GLU 23 2.059 20.897 13.180 720 HB3 GLU 23 HB3 GLU 23 0.751 19.993 12.414 721 HG2 GLU 23 HG2 GLU 23 0.047 19.132 14.636 722 HG3 GLU 23 HG3 GLU 23 1.346 20.070 15.402 723 H VAL 24 H VAL 24 4.540 20.083 13.162 724 HA VAL 24 HA VAL 24 5.283 19.449 15.958 725 HB VAL 24 HB VAL 24 7.300 19.144 13.701 726 HG11 VAL 24 HG11 VAL 24 8.280 19.908 15.849 727 HG12 VAL 24 HG12 VAL 24 7.564 18.506 16.653 728 HG13 VAL 24 HG13 VAL 24 8.802 18.283 15.409 729 HG21 VAL 24 HG21 VAL 24 5.817 17.213 13.607 730 HG22 VAL 24 HG22 VAL 24 7.355 16.739 14.326 731 HG23 VAL 24 HG23 VAL 24 5.934 16.993 15.361 732 H ARG 25 H ARG 25 6.202 21.145 16.981 733 HA ARG 25 HA ARG 25 6.875 23.659 15.461 734 HB2 ARG 25 HB2 ARG 25 5.406 23.291 18.098 735 HB3 ARG 25 HB3 ARG 25 6.213 24.797 17.649 736 HG2 ARG 25 HG2 ARG 25 4.770 25.044 15.686 737 HG3 ARG 25 HG3 ARG 25 4.013 23.479 16.006 738 HD2 ARG 25 HD2 ARG 25 2.581 25.325 16.781 739 HD3 ARG 25 HD3 ARG 25 3.093 24.303 18.124 740 HE ARG 25 HE ARG 25 4.584 25.994 18.909 741 HH11 ARG 25 HH11 ARG 25 2.611 27.274 16.304 742 HH12 ARG 25 HH12 ARG 25 3.043 28.916 16.696 743 HH21 ARG 25 HH21 ARG 25 5.134 28.011 19.312 744 HH22 ARG 25 HH22 ARG 25 4.448 29.324 18.376 745 H ALA 26 H ALA 26 8.652 24.756 16.040 746 HA ALA 26 HA ALA 26 10.245 23.819 18.397 747 HB1 ALA 26 HB1 ALA 26 11.192 25.360 15.953 748 HB2 ALA 26 HB2 ALA 26 12.181 24.866 17.358 749 HB3 ALA 26 HB3 ALA 26 11.497 23.623 16.286 750 H GLU 27 H GLU 27 9.859 25.022 20.093 751 HA GLU 27 HA GLU 27 9.012 27.865 19.955 752 HB2 GLU 27 HB2 GLU 27 9.572 26.116 22.383 753 HB3 GLU 27 HB3 GLU 27 8.743 27.660 22.370 754 HG2 GLU 27 HG2 GLU 27 7.727 25.020 21.264 755 HG3 GLU 27 HG3 GLU 27 7.165 25.855 22.694 756 H GLY 28 H GLY 28 10.229 29.137 21.913 757 HA2 GLY 28 HA2 GLY 28 12.831 29.764 20.951 758 HA3 GLY 28 HA3 GLY 28 12.117 30.322 22.463 759 H GLY 29 H GLY 29 12.021 27.158 23.055 760 HA2 GLY 29 HA2 GLY 29 14.844 26.453 23.365 761 HA3 GLY 29 HA3 GLY 29 14.051 26.869 24.886 762 H ALA 30 H ALA 30 12.179 25.188 22.365 763 HA ALA 30 HA ALA 30 12.592 22.523 23.435 764 HB1 ALA 30 HB1 ALA 30 10.319 22.250 24.376 765 HB2 ALA 30 HB2 ALA 30 11.194 23.522 25.252 766 HB3 ALA 30 HB3 ALA 30 9.969 23.965 24.052 767 H VAL 31 H VAL 31 11.435 20.909 22.291 768 HA VAL 31 HA VAL 31 9.999 21.783 19.806 769 HB VAL 31 HB VAL 31 11.318 19.138 20.457 770 HG11 VAL 31 HG11 VAL 31 9.271 18.589 19.241 771 HG12 VAL 31 HG12 VAL 31 9.571 19.911 18.077 772 HG13 VAL 31 HG13 VAL 31 10.624 18.490 18.120 773 HG21 VAL 31 HG21 VAL 31 12.794 20.973 19.664 774 HG22 VAL 31 HG22 VAL 31 12.681 19.657 18.488 775 HG23 VAL 31 HG23 VAL 31 11.781 21.175 18.226 776 H ARG 32 H ARG 32 7.934 21.191 19.439 777 HA ARG 32 HA ARG 32 6.464 19.547 21.469 778 HB2 ARG 32 HB2 ARG 32 5.600 22.142 20.138 779 HB3 ARG 32 HB3 ARG 32 4.470 21.027 20.921 780 HG2 ARG 32 HG2 ARG 32 5.491 21.327 23.080 781 HG3 ARG 32 HG3 ARG 32 6.859 22.220 22.405 782 HD2 ARG 32 HD2 ARG 32 5.318 23.774 23.444 783 HD3 ARG 32 HD3 ARG 32 5.388 24.017 21.691 784 HE ARG 32 HE ARG 32 3.176 22.330 22.766 785 HH11 ARG 32 HH11 ARG 32 3.992 25.416 21.221 786 HH12 ARG 32 HH12 ARG 32 2.296 25.802 21.046 787 HH21 ARG 32 HH21 ARG 32 1.218 22.822 22.413 788 HH22 ARG 32 HH22 ARG 32 0.719 24.344 21.656 789 H VAL 33 H VAL 33 5.159 18.040 20.682 790 HA VAL 33 HA VAL 33 4.938 17.637 17.715 791 HB VAL 33 HB VAL 33 5.429 15.587 19.921 792 HG11 VAL 33 HG11 VAL 33 5.759 13.970 18.060 793 HG12 VAL 33 HG12 VAL 33 4.100 14.578 18.146 794 HG13 VAL 33 HG13 VAL 33 5.205 15.223 16.916 795 HG21 VAL 33 HG21 VAL 33 7.322 16.485 17.702 796 HG22 VAL 33 HG22 VAL 33 7.487 16.874 19.431 797 HG23 VAL 33 HG23 VAL 33 7.617 15.199 18.896 798 H THR 34 H THR 34 2.894 17.184 16.962 799 HA THR 34 HA THR 34 0.814 16.348 18.939 800 HB THR 34 HB THR 34 0.494 18.539 16.894 801 HG1 THR 34 HG1 THR 34 1.599 19.218 18.724 802 HG21 THR 34 HG21 THR 34 -1.720 18.898 18.023 803 HG22 THR 34 HG22 THR 34 -1.630 17.393 17.109 804 HG23 THR 34 HG23 THR 34 -1.485 17.355 18.884 805 H THR 35 H THR 35 -0.439 14.712 18.346 806 HA THR 35 HA THR 35 -0.135 13.475 15.693 807 HB THR 35 HB THR 35 -1.373 11.632 16.548 808 HG1 THR 35 HG1 THR 35 -2.210 11.740 18.682 809 HG21 THR 35 HG21 THR 35 -0.034 10.905 18.392 810 HG22 THR 35 HG22 THR 35 1.003 11.871 17.327 811 HG23 THR 35 HG23 THR 35 0.385 12.571 18.846 812 H LEU 36 H LEU 36 -2.064 12.690 14.454 813 HA LEU 36 HA LEU 36 -4.004 14.795 14.043 814 HB2 LEU 36 HB2 LEU 36 -4.820 13.627 12.282 815 HB3 LEU 36 HB3 LEU 36 -3.130 13.165 12.300 816 HG LEU 36 HG LEU 36 -5.427 11.442 13.376 817 HD11 LEU 36 HD11 LEU 36 -3.872 11.257 10.759 818 HD12 LEU 36 HD12 LEU 36 -5.120 10.125 11.337 819 HD13 LEU 36 HD13 LEU 36 -5.562 11.787 10.924 820 HD21 LEU 36 HD21 LEU 36 -3.321 10.831 14.439 821 HD22 LEU 36 HD22 LEU 36 -3.757 9.610 13.244 822 HD23 LEU 36 HD23 LEU 36 -2.501 10.812 12.865 823 H PHE 37 H PHE 37 -3.899 12.316 16.379 824 HA PHE 37 HA PHE 37 -6.783 12.357 16.970 825 HB2 PHE 37 HB2 PHE 37 -4.510 11.098 18.528 826 HB3 PHE 37 HB3 PHE 37 -6.225 10.796 18.736 827 HD1 PHE 37 HD1 PHE 37 -7.480 10.009 16.458 828 HD2 PHE 37 HD2 PHE 37 -3.289 9.472 17.339 829 HE1 PHE 37 HE1 PHE 37 -7.378 8.127 14.836 830 HE2 PHE 37 HE2 PHE 37 -3.207 7.578 15.743 831 HZ PHE 37 HZ PHE 37 -5.236 6.906 14.480 832 H ASP 38 H ASP 38 -4.453 14.592 17.354 833 HA ASP 38 HA ASP 38 -4.095 16.382 18.591 834 HB2 ASP 38 HB2 ASP 38 -6.560 16.653 18.204 835 HB3 ASP 38 HB3 ASP 38 -6.836 16.040 19.825 836 H GLU 39 H GLU 39 -3.159 13.855 19.635 837 HA GLU 39 HA GLU 39 -2.885 14.432 22.547 838 HB2 GLU 39 HB2 GLU 39 -1.632 12.217 20.875 839 HB3 GLU 39 HB3 GLU 39 -1.445 12.467 22.615 840 HG2 GLU 39 HG2 GLU 39 -3.991 12.314 22.795 841 HG3 GLU 39 HG3 GLU 39 -3.991 11.701 21.135 842 H GLU 40 H GLU 40 -0.980 15.231 23.436 843 HA GLU 40 HA GLU 40 0.983 16.393 21.514 844 HB2 GLU 40 HB2 GLU 40 -0.621 18.054 22.307 845 HB3 GLU 40 HB3 GLU 40 -0.191 17.676 23.989 846 HG2 GLU 40 HG2 GLU 40 2.097 18.498 23.618 847 HG3 GLU 40 HG3 GLU 40 1.742 18.768 21.909 848 H HIS 41 H HIS 41 3.089 16.430 21.990 849 HA HIS 41 HA HIS 41 4.086 15.532 24.659 850 HB2 HIS 41 HB2 HIS 41 5.298 14.686 22.005 851 HB3 HIS 41 HB3 HIS 41 5.776 14.162 23.619 852 HD2 HIS 41 HD2 HIS 41 3.145 13.563 20.881 853 HE1 HIS 41 HE1 HIS 41 2.450 10.579 23.843 854 HE2 HIS 41 HE2 HIS 41 1.833 11.368 21.500 855 H ALA 42 H ALA 42 6.113 16.473 25.254 856 HA ALA 42 HA ALA 42 7.229 18.569 23.482 857 HB1 ALA 42 HB1 ALA 42 7.086 20.282 25.202 858 HB2 ALA 42 HB2 ALA 42 5.467 19.658 24.835 859 HB3 ALA 42 HB3 ALA 42 6.295 19.140 26.320 860 H PHE 43 H PHE 43 9.337 19.113 23.801 861 HA PHE 43 HA PHE 43 10.966 17.555 25.761 862 HB2 PHE 43 HB2 PHE 43 11.376 17.641 22.758 863 HB3 PHE 43 HB3 PHE 43 12.416 16.851 23.947 864 HD1 PHE 43 HD1 PHE 43 11.542 14.863 25.269 865 HD2 PHE 43 HD2 PHE 43 9.376 16.568 21.939 866 HE1 PHE 43 HE1 PHE 43 10.098 12.850 25.166 867 HE2 PHE 43 HE2 PHE 43 7.945 14.543 21.834 868 HZ PHE 43 HZ PHE 43 8.302 12.679 23.458 869 HA PRO 44 HA PRO 44 12.693 21.803 25.700 870 HB2 PRO 44 HB2 PRO 44 14.055 21.718 28.073 871 HB3 PRO 44 HB3 PRO 44 12.285 21.941 27.961 872 HG2 PRO 44 HG2 PRO 44 13.819 19.369 28.464 873 HG3 PRO 44 HG3 PRO 44 12.409 20.011 29.363 874 HD2 PRO 44 HD2 PRO 44 12.164 18.128 27.400 875 HD3 PRO 44 HD3 PRO 44 10.915 19.388 27.624 876 H GLY 45 H GLY 45 14.658 22.659 25.162 877 HA2 GLY 45 HA2 GLY 45 16.895 22.846 24.672 878 HA3 GLY 45 HA3 GLY 45 17.205 21.277 25.418 879 H LEU 46 H LEU 46 14.870 20.610 23.167 880 HA LEU 46 HA LEU 46 16.840 19.776 21.127 881 HB2 LEU 46 HB2 LEU 46 13.877 19.156 21.342 882 HB3 LEU 46 HB3 LEU 46 14.999 18.479 20.172 883 HG LEU 46 HG LEU 46 14.928 17.962 23.165 884 HD11 LEU 46 HD11 LEU 46 13.341 16.730 21.654 885 HD12 LEU 46 HD12 LEU 46 14.735 16.102 20.760 886 HD13 LEU 46 HD13 LEU 46 14.507 15.662 22.464 887 HD21 LEU 46 HD21 LEU 46 17.018 17.052 21.136 888 HD22 LEU 46 HD22 LEU 46 17.301 18.042 22.589 889 HD23 LEU 46 HD23 LEU 46 16.805 16.359 22.763 890 H ALA 47 H ALA 47 16.362 19.987 18.897 891 HA ALA 47 HA ALA 47 14.437 22.024 17.993 892 HB1 ALA 47 HB1 ALA 47 16.102 22.913 16.354 893 HB2 ALA 47 HB2 ALA 47 16.545 23.257 18.029 894 HB3 ALA 47 HB3 ALA 47 17.367 21.947 17.136 895 H ILE 48 H ILE 48 13.865 21.692 15.713 896 HA ILE 48 HA ILE 48 13.715 18.861 14.986 897 HB ILE 48 HB ILE 48 12.868 21.315 13.419 898 HG12 ILE 48 HG12 ILE 48 11.060 19.528 15.086 899 HG13 ILE 48 HG13 ILE 48 11.697 21.068 15.657 900 HG21 ILE 48 HG21 ILE 48 13.163 19.252 12.017 901 HG22 ILE 48 HG22 ILE 48 12.076 18.381 13.114 902 HG23 ILE 48 HG23 ILE 48 11.467 19.720 12.130 903 HD11 ILE 48 HD11 ILE 48 10.647 22.214 13.690 904 HD12 ILE 48 HD12 ILE 48 9.793 20.690 13.330 905 HD13 ILE 48 HD13 ILE 48 9.508 21.536 14.854 906 H GLY 49 H GLY 49 15.391 17.819 14.055 907 HA2 GLY 49 HA2 GLY 49 17.654 19.313 12.880 908 HA3 GLY 49 HA3 GLY 49 17.588 17.607 13.308 909 H ARG 50 H ARG 50 15.263 16.841 11.886 910 HA ARG 50 HA ARG 50 15.569 17.653 9.049 911 HB2 ARG 50 HB2 ARG 50 15.855 14.751 9.948 912 HB3 ARG 50 HB3 ARG 50 15.476 15.271 8.308 913 HG2 ARG 50 HG2 ARG 50 17.652 16.562 8.265 914 HG3 ARG 50 HG3 ARG 50 18.032 15.848 9.842 915 HD2 ARG 50 HD2 ARG 50 19.133 14.586 8.100 916 HD3 ARG 50 HD3 ARG 50 17.899 13.582 8.854 917 HE ARG 50 HE ARG 50 16.401 14.175 6.890 918 HH11 ARG 50 HH11 ARG 50 19.881 13.991 6.310 919 HH12 ARG 50 HH12 ARG 50 19.612 13.811 4.595 920 HH21 ARG 50 HH21 ARG 50 16.188 14.064 4.869 921 HH22 ARG 50 HH22 ARG 50 17.540 14.035 3.736 922 H VAL 51 H VAL 51 13.844 17.383 7.810 923 HA VAL 51 HA VAL 51 11.405 15.986 8.790 924 HB VAL 51 HB VAL 51 11.478 18.714 7.428 925 HG11 VAL 51 HG11 VAL 51 9.612 17.371 6.529 926 HG12 VAL 51 HG12 VAL 51 9.070 16.995 8.176 927 HG13 VAL 51 HG13 VAL 51 9.031 18.667 7.568 928 HG21 VAL 51 HG21 VAL 51 11.863 18.887 9.835 929 HG22 VAL 51 HG22 VAL 51 10.269 19.498 9.436 930 HG23 VAL 51 HG23 VAL 51 10.439 17.881 10.166 931 H ASP 52 H ASP 52 11.458 14.248 7.510 932 HA ASP 52 HA ASP 52 12.298 14.492 4.654 933 HB2 ASP 52 HB2 ASP 52 12.272 12.082 6.492 934 HB3 ASP 52 HB3 ASP 52 12.841 12.121 4.818 935 H LEU 53 H LEU 53 10.313 15.121 3.797 936 HA LEU 53 HA LEU 53 7.804 13.788 4.293 937 HB2 LEU 53 HB2 LEU 53 8.585 15.294 1.751 938 HB3 LEU 53 HB3 LEU 53 6.985 14.952 2.375 939 HG LEU 53 HG LEU 53 7.252 17.186 2.683 940 HD11 LEU 53 HD11 LEU 53 7.140 17.589 5.075 941 HD12 LEU 53 HD12 LEU 53 6.309 16.081 4.654 942 HD13 LEU 53 HD13 LEU 53 7.918 16.025 5.407 943 HD21 LEU 53 HD21 LEU 53 9.084 18.377 3.636 944 HD22 LEU 53 HD22 LEU 53 9.923 16.899 4.085 945 HD23 LEU 53 HD23 LEU 53 9.696 17.318 2.366 946 H ARG 54 H ARG 54 10.412 13.281 1.972 947 HA ARG 54 HA ARG 54 9.385 11.238 0.305 948 HB2 ARG 54 HB2 ARG 54 11.482 12.441 -0.019 949 HB3 ARG 54 HB3 ARG 54 12.188 11.677 1.411 950 HG2 ARG 54 HG2 ARG 54 12.183 9.504 0.304 951 HG3 ARG 54 HG3 ARG 54 11.243 10.139 -1.056 952 HD2 ARG 54 HD2 ARG 54 13.609 9.948 -1.672 953 HD3 ARG 54 HD3 ARG 54 13.078 11.625 -1.699 954 HE ARG 54 HE ARG 54 14.462 12.154 0.097 955 HH11 ARG 54 HH11 ARG 54 14.568 8.658 -0.271 956 HH12 ARG 54 HH12 ARG 54 15.949 8.527 0.789 957 HH21 ARG 54 HH21 ARG 54 16.179 11.924 1.347 958 HH22 ARG 54 HH22 ARG 54 16.835 10.330 1.715 959 H SER 55 H SER 55 10.683 10.949 3.601 960 HA SER 55 HA SER 55 10.401 7.988 3.533 961 HB2 SER 55 HB2 SER 55 11.672 9.801 5.605 962 HB3 SER 55 HB3 SER 55 11.747 8.036 5.581 963 HG SER 55 HG SER 55 12.967 8.112 3.723 964 H GLY 56 H GLY 56 8.729 10.754 4.839 965 HA2 GLY 56 HA2 GLY 56 6.876 10.917 6.220 966 HA3 GLY 56 HA3 GLY 56 6.779 9.155 6.333 967 H VAL 57 H VAL 57 9.621 11.196 7.139 968 HA VAL 57 HA VAL 57 9.400 10.376 10.006 969 HB VAL 57 HB VAL 57 11.861 10.058 8.253 970 HG11 VAL 57 HG11 VAL 57 12.884 9.027 10.305 971 HG12 VAL 57 HG12 VAL 57 12.614 10.752 10.474 972 HG13 VAL 57 HG13 VAL 57 11.493 9.608 11.249 973 HG21 VAL 57 HG21 VAL 57 10.264 8.221 7.950 974 HG22 VAL 57 HG22 VAL 57 11.656 7.657 8.866 975 HG23 VAL 57 HG23 VAL 57 10.125 8.005 9.703 976 H ILE 58 H ILE 58 10.130 11.744 11.507 977 HA ILE 58 HA ILE 58 11.519 14.254 10.680 978 HB ILE 58 HB ILE 58 9.261 13.940 12.688 979 HG12 ILE 58 HG12 ILE 58 9.432 15.671 10.188 980 HG13 ILE 58 HG13 ILE 58 8.574 14.138 10.277 981 HG21 ILE 58 HG21 ILE 58 10.990 16.391 12.112 982 HG22 ILE 58 HG22 ILE 58 9.564 16.367 13.172 983 HG23 ILE 58 HG23 ILE 58 10.986 15.447 13.624 984 HD11 ILE 58 HD11 ILE 58 7.846 16.663 11.773 985 HD12 ILE 58 HD12 ILE 58 6.957 15.848 10.481 986 HD13 ILE 58 HD13 ILE 58 7.099 15.072 12.071 987 H SER 59 H SER 59 13.308 14.721 11.890 988 HA SER 59 HA SER 59 13.987 12.875 14.166 989 HB2 SER 59 HB2 SER 59 15.888 13.882 12.034 990 HB3 SER 59 HB3 SER 59 16.293 12.842 13.404 991 HG SER 59 HG SER 59 15.045 11.205 12.524 992 H LEU 60 H LEU 60 14.605 13.839 16.011 993 HA LEU 60 HA LEU 60 15.069 16.788 15.979 994 HB2 LEU 60 HB2 LEU 60 14.566 15.037 18.370 995 HB3 LEU 60 HB3 LEU 60 14.534 16.801 18.278 996 HG LEU 60 HG LEU 60 12.521 14.847 17.071 997 HD11 LEU 60 HD11 LEU 60 10.973 15.958 18.604 998 HD12 LEU 60 HD12 LEU 60 12.334 15.271 19.483 999 HD13 LEU 60 HD13 LEU 60 12.277 17.017 19.193 1000 HD21 LEU 60 HD21 LEU 60 12.616 17.887 16.798 1001 HD22 LEU 60 HD22 LEU 60 12.733 16.703 15.477 1002 HD23 LEU 60 HD23 LEU 60 11.227 16.854 16.377 1003 H ILE 61 H ILE 61 16.696 17.739 17.188 1004 HA ILE 61 HA ILE 61 19.061 16.143 18.009 1005 HB ILE 61 HB ILE 61 20.585 17.660 16.860 1006 HG12 ILE 61 HG12 ILE 61 19.277 18.892 14.782 1007 HG13 ILE 61 HG13 ILE 61 18.102 19.105 16.078 1008 HG21 ILE 61 HG21 ILE 61 20.363 16.776 14.619 1009 HG22 ILE 61 HG22 ILE 61 19.953 15.534 15.806 1010 HG23 ILE 61 HG23 ILE 61 18.660 16.349 14.909 1011 HD11 ILE 61 HD11 ILE 61 21.025 19.940 16.264 1012 HD12 ILE 61 HD12 ILE 61 19.675 21.008 15.824 1013 HD13 ILE 61 HD13 ILE 61 19.716 20.279 17.436 1014 H GLU 62 H GLU 62 20.602 17.478 19.257 1015 HA GLU 62 HA GLU 62 19.177 19.149 21.242 1016 HB2 GLU 62 HB2 GLU 62 22.093 18.290 21.051 1017 HB3 GLU 62 HB3 GLU 62 21.390 19.271 22.348 1018 HG2 GLU 62 HG2 GLU 62 19.841 17.428 22.923 1019 HG3 GLU 62 HG3 GLU 62 20.485 16.448 21.609 1020 H GLU 63 H GLU 63 18.994 21.317 21.103 1021 HA GLU 63 HA GLU 63 19.889 22.665 18.758 1022 HB2 GLU 63 HB2 GLU 63 17.781 23.072 20.030 1023 HB3 GLU 63 HB3 GLU 63 18.712 23.884 21.289 1024 HG2 GLU 63 HG2 GLU 63 18.914 24.780 18.387 1025 HG3 GLU 63 HG3 GLU 63 17.530 25.247 19.373 1026 H GLN 64 H GLN 64 21.790 23.474 18.296 1027 HA GLN 64 HA GLN 64 23.590 24.643 20.357 1028 HB2 GLN 64 HB2 GLN 64 24.252 22.412 18.410 1029 HB3 GLN 64 HB3 GLN 64 25.479 23.319 19.290 1030 HG2 GLN 64 HG2 GLN 64 24.848 22.458 21.389 1031 HG3 GLN 64 HG3 GLN 64 23.312 21.828 20.789 1032 HE21 GLN 64 HE21 GLN 64 23.280 19.959 19.407 1033 HE22 GLN 64 HE22 GLN 64 24.657 18.853 19.396 1034 H ASN 65 H ASN 65 21.990 26.121 18.530 1035 HA ASN 65 HA ASN 65 23.604 26.922 16.236 1036 HB2 ASN 65 HB2 ASN 65 21.138 27.022 16.283 1037 HB3 ASN 65 HB3 ASN 65 21.201 28.236 17.555 1038 HD21 ASN 65 HD21 ASN 65 20.904 30.272 16.769 1039 HD22 ASN 65 HD22 ASN 65 21.363 30.807 15.164 1040 H ARG 66 H ARG 66 23.918 27.645 19.525 1041 HA ARG 66 HA ARG 66 24.936 30.269 19.639 1042 HB2 ARG 66 HB2 ARG 66 26.063 29.562 21.684 1043 HB3 ARG 66 HB3 ARG 66 24.404 28.967 21.623 1044 HG2 ARG 66 HG2 ARG 66 25.292 26.713 20.884 1045 HG3 ARG 66 HG3 ARG 66 26.943 27.334 21.106 1046 HD2 ARG 66 HD2 ARG 66 26.438 27.764 23.493 1047 HD3 ARG 66 HD3 ARG 66 24.793 27.133 23.257 1048 HE ARG 66 HE ARG 66 26.795 25.236 22.396 1049 HH11 ARG 66 HH11 ARG 66 25.207 26.356 25.310 1050 HH12 ARG 66 HH12 ARG 66 25.519 24.863 26.156 1051 HH21 ARG 66 HH21 ARG 66 27.173 23.387 23.529 1052 HH22 ARG 66 HH22 ARG 66 26.629 23.237 25.175 Start of MODEL 7 1 H1 GLY -3 H1 GLY -3 13.959 -0.783 0.678 2 H2 GLY -3 H2 GLY -3 13.215 -0.170 2.011 3 H3 GLY -3 H3 GLY -3 14.677 0.405 1.556 4 HA2 GLY -3 HA2 GLY -3 13.767 1.318 -0.470 5 HA3 GLY -3 HA3 GLY -3 12.182 0.691 0.000 6 HA PRO -2 HA PRO -2 13.026 5.050 1.663 7 HB2 PRO -2 HB2 PRO -2 11.379 6.568 0.125 8 HB3 PRO -2 HB3 PRO -2 12.998 6.041 -0.420 9 HG2 PRO -2 HG2 PRO -2 10.321 4.729 -1.033 10 HG3 PRO -2 HG3 PRO -2 11.606 5.217 -2.197 11 HD2 PRO -2 HD2 PRO -2 11.440 2.660 -1.264 12 HD3 PRO -2 HD3 PRO -2 13.027 3.444 -1.514 13 H GLY -1 H GLY -1 10.108 3.145 1.219 14 HA2 GLY -1 HA2 GLY -1 8.201 2.954 2.578 15 HA3 GLY -1 HA3 GLY -1 8.818 4.233 3.623 16 H SER 0 H SER 0 6.625 5.073 3.648 17 HA SER 0 HA SER 0 5.190 5.906 1.335 18 HB2 SER 0 HB2 SER 0 5.024 6.969 4.178 19 HB3 SER 0 HB3 SER 0 3.825 7.213 2.901 20 HG SER 0 HG SER 0 3.295 5.460 4.303 21 H MET 1 H MET 1 5.255 7.678 0.083 22 HA MET 1 HA MET 1 7.143 9.889 0.686 23 HB2 MET 1 HB2 MET 1 5.685 9.128 -1.875 24 HB3 MET 1 HB3 MET 1 6.625 10.602 -1.649 25 HG2 MET 1 HG2 MET 1 8.613 9.190 -1.068 26 HG3 MET 1 HG3 MET 1 7.666 7.758 -1.475 27 HE1 MET 1 HE1 MET 1 9.621 10.891 -2.688 28 HE2 MET 1 HE2 MET 1 9.287 10.964 -4.432 29 HE3 MET 1 HE3 MET 1 8.012 11.391 -3.278 30 H CYS 2 H CYS 2 6.554 11.933 0.822 31 HA CYS 2 HA CYS 2 3.713 12.829 0.660 32 HB2 CYS 2 HB2 CYS 2 5.784 13.422 2.798 33 HB3 CYS 2 HB3 CYS 2 4.231 14.250 2.663 34 H MET 3 H MET 3 3.699 15.304 0.563 35 HA MET 3 HA MET 3 6.152 16.600 -0.503 36 HB2 MET 3 HB2 MET 3 3.473 16.435 -1.904 37 HB3 MET 3 HB3 MET 3 4.507 17.850 -2.108 38 HG2 MET 3 HG2 MET 3 6.252 16.608 -3.085 39 HG3 MET 3 HG3 MET 3 5.587 15.063 -2.553 40 HE1 MET 3 HE1 MET 3 4.054 17.534 -6.152 41 HE2 MET 3 HE2 MET 3 3.951 18.155 -4.485 42 HE3 MET 3 HE3 MET 3 5.533 17.860 -5.241 43 H ALA 4 H ALA 4 6.294 18.776 -0.097 44 HA ALA 4 HA ALA 4 4.132 20.207 1.292 45 HB1 ALA 4 HB1 ALA 4 5.337 19.035 3.121 46 HB2 ALA 4 HB2 ALA 4 6.870 19.728 2.564 47 HB3 ALA 4 HB3 ALA 4 5.600 20.782 3.222 48 H LYS 5 H LYS 5 4.874 22.511 1.786 49 HA LYS 5 HA LYS 5 6.986 23.464 -0.111 50 HB2 LYS 5 HB2 LYS 5 5.962 25.577 -0.341 51 HB3 LYS 5 HB3 LYS 5 4.786 24.341 -0.773 52 HG2 LYS 5 HG2 LYS 5 3.601 24.660 1.359 53 HG3 LYS 5 HG3 LYS 5 4.867 25.794 1.908 54 HD2 LYS 5 HD2 LYS 5 4.329 27.287 -0.011 55 HD3 LYS 5 HD3 LYS 5 2.979 26.216 -0.438 56 HE2 LYS 5 HE2 LYS 5 1.929 26.636 1.739 57 HE3 LYS 5 HE3 LYS 5 3.324 27.597 2.262 58 HZ1 LYS 5 HZ1 LYS 5 2.849 29.160 0.455 59 HZ2 LYS 5 HZ2 LYS 5 1.535 28.312 0.005 60 HZ3 LYS 5 HZ3 LYS 5 1.559 29.045 1.468 61 H VAL 6 H VAL 6 8.499 24.859 0.607 62 HA VAL 6 HA VAL 6 8.777 25.276 3.559 63 HB VAL 6 HB VAL 6 10.758 25.491 1.279 64 HG11 VAL 6 HG11 VAL 6 11.244 27.439 2.669 65 HG12 VAL 6 HG12 VAL 6 11.138 26.448 4.149 66 HG13 VAL 6 HG13 VAL 6 12.438 26.190 2.973 67 HG21 VAL 6 HG21 VAL 6 10.323 23.265 2.378 68 HG22 VAL 6 HG22 VAL 6 11.970 23.840 2.623 69 HG23 VAL 6 HG23 VAL 6 10.776 23.976 3.931 70 H VAL 7 H VAL 7 8.648 27.305 4.430 71 HA VAL 7 HA VAL 7 8.631 29.649 2.621 72 HB VAL 7 HB VAL 7 6.280 29.119 3.050 73 HG11 VAL 7 HG11 VAL 7 6.423 28.107 5.304 74 HG12 VAL 7 HG12 VAL 7 6.862 29.696 5.989 75 HG13 VAL 7 HG13 VAL 7 5.266 29.444 5.264 76 HG21 VAL 7 HG21 VAL 7 7.119 31.681 4.479 77 HG22 VAL 7 HG22 VAL 7 7.007 31.480 2.709 78 HG23 VAL 7 HG23 VAL 7 5.562 31.330 3.710 79 H LEU 8 H LEU 8 9.616 31.426 3.351 80 HA LEU 8 HA LEU 8 10.712 31.622 6.083 81 HB2 LEU 8 HB2 LEU 8 13.023 31.553 5.410 82 HB3 LEU 8 HB3 LEU 8 12.213 30.090 4.891 83 HG LEU 8 HG LEU 8 11.997 31.404 2.566 84 HD11 LEU 8 HD11 LEU 8 13.081 33.518 3.269 85 HD12 LEU 8 HD12 LEU 8 14.503 32.615 3.834 86 HD13 LEU 8 HD13 LEU 8 14.098 32.676 2.108 87 HD21 LEU 8 HD21 LEU 8 13.131 29.260 2.894 88 HD22 LEU 8 HD22 LEU 8 14.069 30.318 1.839 89 HD23 LEU 8 HD23 LEU 8 14.566 30.100 3.523 90 H THR 9 H THR 9 11.986 33.636 6.367 91 HA THR 9 HA THR 9 11.469 35.765 4.351 92 HB THR 9 HB THR 9 10.968 36.185 7.319 93 HG1 THR 9 HG1 THR 9 9.353 34.954 6.399 94 HG21 THR 9 HG21 THR 9 9.959 38.320 6.546 95 HG22 THR 9 HG22 THR 9 11.683 38.253 6.149 96 HG23 THR 9 HG23 THR 9 10.454 37.951 4.889 97 H LYS 10 H LYS 10 13.176 36.975 3.940 98 HA LYS 10 HA LYS 10 15.786 36.412 5.027 99 HB2 LYS 10 HB2 LYS 10 14.782 38.712 3.286 100 HB3 LYS 10 HB3 LYS 10 16.480 38.336 3.581 101 HG2 LYS 10 HG2 LYS 10 16.263 36.174 2.445 102 HG3 LYS 10 HG3 LYS 10 14.517 36.427 2.228 103 HD2 LYS 10 HD2 LYS 10 15.055 38.528 0.921 104 HD3 LYS 10 HD3 LYS 10 16.770 38.059 0.991 105 HE2 LYS 10 HE2 LYS 10 16.135 35.860 -0.059 106 HE3 LYS 10 HE3 LYS 10 14.464 36.452 -0.176 107 HZ1 LYS 10 HZ1 LYS 10 15.690 36.783 -2.251 108 HZ2 LYS 10 HZ2 LYS 10 15.271 38.233 -1.632 109 HZ3 LYS 10 HZ3 LYS 10 16.813 37.701 -1.508 110 H ALA 11 H ALA 11 17.260 38.016 5.920 111 HA ALA 11 HA ALA 11 16.327 39.456 8.224 112 HB1 ALA 11 HB1 ALA 11 18.934 39.680 6.643 113 HB2 ALA 11 HB2 ALA 11 18.654 40.277 8.298 114 HB3 ALA 11 HB3 ALA 11 18.611 38.533 7.965 115 H ASP 12 H ASP 12 16.716 40.400 4.847 116 HA ASP 12 HA ASP 12 16.296 43.250 5.226 117 HB2 ASP 12 HB2 ASP 12 16.192 41.398 2.810 118 HB3 ASP 12 HB3 ASP 12 16.075 43.153 2.733 119 H GLY 13 H GLY 13 14.141 40.685 5.580 120 HA2 GLY 13 HA2 GLY 13 11.869 40.795 6.041 121 HA3 GLY 13 HA3 GLY 13 11.767 42.411 5.345 122 H GLY 14 H GLY 14 13.330 40.261 3.197 123 HA2 GLY 14 HA2 GLY 14 11.061 40.250 1.329 124 HA3 GLY 14 HA3 GLY 14 12.675 39.576 1.068 125 H ARG 15 H ARG 15 9.469 38.743 1.499 126 HA ARG 15 HA ARG 15 9.924 36.146 2.827 127 HB2 ARG 15 HB2 ARG 15 7.924 37.624 3.221 128 HB3 ARG 15 HB3 ARG 15 7.345 37.202 1.605 129 HG2 ARG 15 HG2 ARG 15 7.189 34.828 2.252 130 HG3 ARG 15 HG3 ARG 15 8.000 35.153 3.790 131 HD2 ARG 15 HD2 ARG 15 6.115 36.695 4.415 132 HD3 ARG 15 HD3 ARG 15 5.298 36.261 2.916 133 HE ARG 15 HE ARG 15 4.656 34.238 3.828 134 HH11 ARG 15 HH11 ARG 15 7.167 35.491 5.949 135 HH12 ARG 15 HH12 ARG 15 6.704 34.428 7.253 136 HH21 ARG 15 HH21 ARG 15 4.182 32.884 5.510 137 HH22 ARG 15 HH22 ARG 15 5.110 32.952 6.984 138 H VAL 16 H VAL 16 9.900 34.181 1.953 139 HA VAL 16 HA VAL 16 9.750 33.835 -1.005 140 HB VAL 16 HB VAL 16 12.073 32.997 0.764 141 HG11 VAL 16 HG11 VAL 16 11.634 32.491 -2.200 142 HG12 VAL 16 HG12 VAL 16 13.154 32.198 -1.323 143 HG13 VAL 16 HG13 VAL 16 11.724 31.257 -0.926 144 HG21 VAL 16 HG21 VAL 16 11.959 34.992 -1.525 145 HG22 VAL 16 HG22 VAL 16 12.271 35.364 0.185 146 HG23 VAL 16 HG23 VAL 16 13.446 34.430 -0.735 147 H GLU 17 H GLU 17 9.092 31.804 -1.682 148 HA GLU 17 HA GLU 17 8.938 29.633 0.265 149 HB2 GLU 17 HB2 GLU 17 6.625 29.012 -0.307 150 HB3 GLU 17 HB3 GLU 17 6.736 30.549 0.558 151 HG2 GLU 17 HG2 GLU 17 6.406 31.812 -1.503 152 HG3 GLU 17 HG3 GLU 17 6.418 30.326 -2.458 153 H ILE 18 H ILE 18 8.846 27.559 -0.572 154 HA ILE 18 HA ILE 18 9.421 27.201 -3.491 155 HB ILE 18 HB ILE 18 10.970 26.010 -1.161 156 HG12 ILE 18 HG12 ILE 18 12.101 27.731 -3.406 157 HG13 ILE 18 HG13 ILE 18 11.536 28.435 -1.896 158 HG21 ILE 18 HG21 ILE 18 11.258 25.499 -4.162 159 HG22 ILE 18 HG22 ILE 18 12.354 24.888 -2.906 160 HG23 ILE 18 HG23 ILE 18 10.699 24.329 -2.945 161 HD11 ILE 18 HD11 ILE 18 13.114 27.116 -0.583 162 HD12 ILE 18 HD12 ILE 18 13.746 26.372 -2.060 163 HD13 ILE 18 HD13 ILE 18 13.924 28.109 -1.799 164 H GLY 19 H GLY 19 8.004 25.789 -4.307 165 HA2 GLY 19 HA2 GLY 19 6.390 24.013 -2.569 166 HA3 GLY 19 HA3 GLY 19 6.124 24.358 -4.270 167 H ASP 20 H ASP 20 5.830 21.819 -3.515 168 HA ASP 20 HA ASP 20 6.360 19.695 -3.980 169 HB2 ASP 20 HB2 ASP 20 8.100 20.828 -6.182 170 HB3 ASP 20 HB3 ASP 20 7.340 19.244 -6.118 171 H VAL 21 H VAL 21 7.890 20.718 -1.868 172 HA VAL 21 HA VAL 21 10.671 19.879 -2.097 173 HB VAL 21 HB VAL 21 9.019 20.720 0.309 174 HG11 VAL 21 HG11 VAL 21 11.180 21.099 1.408 175 HG12 VAL 21 HG12 VAL 21 10.934 19.399 1.081 176 HG13 VAL 21 HG13 VAL 21 12.030 20.342 0.042 177 HG21 VAL 21 HG21 VAL 21 10.284 22.849 0.057 178 HG22 VAL 21 HG22 VAL 21 11.024 22.220 -1.436 179 HG23 VAL 21 HG23 VAL 21 9.279 22.521 -1.349 180 H LEU 22 H LEU 22 11.578 17.986 -1.642 181 HA LEU 22 HA LEU 22 9.916 15.797 -0.446 182 HB2 LEU 22 HB2 LEU 22 12.414 15.698 -2.168 183 HB3 LEU 22 HB3 LEU 22 11.727 14.305 -1.324 184 HG LEU 22 HG LEU 22 10.395 15.873 -3.562 185 HD11 LEU 22 HD11 LEU 22 10.590 13.686 -4.731 186 HD12 LEU 22 HD12 LEU 22 12.180 14.285 -4.220 187 HD13 LEU 22 HD13 LEU 22 11.369 12.986 -3.306 188 HD21 LEU 22 HD21 LEU 22 8.630 14.080 -3.455 189 HD22 LEU 22 HD22 LEU 22 9.309 13.551 -1.905 190 HD23 LEU 22 HD23 LEU 22 8.596 15.173 -2.075 191 H GLU 23 H GLU 23 12.708 17.839 0.240 192 HA GLU 23 HA GLU 23 12.662 16.805 2.953 193 HB2 GLU 23 HB2 GLU 23 15.033 16.129 3.082 194 HB3 GLU 23 HB3 GLU 23 14.080 15.076 2.047 195 HG2 GLU 23 HG2 GLU 23 14.960 16.383 0.040 196 HG3 GLU 23 HG3 GLU 23 16.069 17.204 1.159 197 H VAL 24 H VAL 24 13.720 17.987 4.464 198 HA VAL 24 HA VAL 24 15.099 20.505 3.685 199 HB VAL 24 HB VAL 24 12.982 20.315 5.861 200 HG11 VAL 24 HG11 VAL 24 14.499 22.700 4.703 201 HG12 VAL 24 HG12 VAL 24 13.171 22.800 5.878 202 HG13 VAL 24 HG13 VAL 24 14.692 22.038 6.332 203 HG21 VAL 24 HG21 VAL 24 11.613 21.798 4.421 204 HG22 VAL 24 HG22 VAL 24 12.798 21.591 3.114 205 HG23 VAL 24 HG23 VAL 24 11.841 20.208 3.710 206 H ARG 25 H ARG 25 16.889 20.905 4.883 207 HA ARG 25 HA ARG 25 17.453 19.225 7.318 208 HB2 ARG 25 HB2 ARG 25 19.493 19.827 5.141 209 HB3 ARG 25 HB3 ARG 25 19.666 18.768 6.532 210 HG2 ARG 25 HG2 ARG 25 17.796 17.322 5.459 211 HG3 ARG 25 HG3 ARG 25 18.033 18.306 3.998 212 HD2 ARG 25 HD2 ARG 25 20.378 17.647 3.893 213 HD3 ARG 25 HD3 ARG 25 20.245 16.788 5.432 214 HE ARG 25 HE ARG 25 18.532 15.925 3.125 215 HH11 ARG 25 HH11 ARG 25 21.217 15.033 5.250 216 HH12 ARG 25 HH12 ARG 25 21.157 13.384 4.698 217 HH21 ARG 25 HH21 ARG 25 18.546 13.941 2.517 218 HH22 ARG 25 HH22 ARG 25 19.653 12.738 3.192 219 H ALA 26 H ALA 26 18.001 20.430 9.033 220 HA ALA 26 HA ALA 26 19.065 23.172 8.637 221 HB1 ALA 26 HB1 ALA 26 18.687 23.462 11.015 222 HB2 ALA 26 HB2 ALA 26 17.217 22.833 10.246 223 HB3 ALA 26 HB3 ALA 26 18.260 21.754 11.203 224 H GLU 27 H GLU 27 21.094 23.727 9.004 225 HA GLU 27 HA GLU 27 23.060 21.793 10.186 226 HB2 GLU 27 HB2 GLU 27 23.590 24.040 8.210 227 HB3 GLU 27 HB3 GLU 27 24.768 22.888 8.863 228 HG2 GLU 27 HG2 GLU 27 23.436 21.023 7.792 229 HG3 GLU 27 HG3 GLU 27 22.461 22.258 6.985 230 H GLY 28 H GLY 28 21.221 24.042 11.289 231 HA2 GLY 28 HA2 GLY 28 21.256 25.455 13.123 232 HA3 GLY 28 HA3 GLY 28 22.974 25.115 13.354 233 H GLY 29 H GLY 29 24.324 26.049 11.370 234 HA2 GLY 29 HA2 GLY 29 23.996 28.950 11.267 235 HA3 GLY 29 HA3 GLY 29 25.257 27.989 10.489 236 H ALA 30 H ALA 30 22.546 26.490 9.408 237 HA ALA 30 HA ALA 30 21.494 28.347 7.469 238 HB1 ALA 30 HB1 ALA 30 23.688 27.835 6.399 239 HB2 ALA 30 HB2 ALA 30 23.315 26.096 6.480 240 HB3 ALA 30 HB3 ALA 30 22.343 27.181 5.458 241 H VAL 31 H VAL 31 19.916 27.348 6.032 242 HA VAL 31 HA VAL 31 19.131 24.527 6.662 243 HB VAL 31 HB VAL 31 17.219 26.827 6.158 244 HG11 VAL 31 HG11 VAL 31 16.352 24.993 4.808 245 HG12 VAL 31 HG12 VAL 31 16.660 23.832 6.129 246 HG13 VAL 31 HG13 VAL 31 15.414 25.073 6.298 247 HG21 VAL 31 HG21 VAL 31 17.305 24.736 8.373 248 HG22 VAL 31 HG22 VAL 31 17.978 26.358 8.518 249 HG23 VAL 31 HG23 VAL 31 16.242 26.154 8.275 250 H ARG 32 H ARG 32 18.738 23.214 5.013 251 HA ARG 32 HA ARG 32 19.052 24.198 2.194 252 HB2 ARG 32 HB2 ARG 32 20.077 21.650 3.506 253 HB3 ARG 32 HB3 ARG 32 20.072 21.925 1.758 254 HG2 ARG 32 HG2 ARG 32 21.639 23.742 1.918 255 HG3 ARG 32 HG3 ARG 32 21.470 23.845 3.669 256 HD2 ARG 32 HD2 ARG 32 23.554 22.801 3.223 257 HD3 ARG 32 HD3 ARG 32 22.459 21.613 3.936 258 HE ARG 32 HE ARG 32 22.356 21.450 1.045 259 HH11 ARG 32 HH11 ARG 32 24.500 20.535 3.728 260 HH12 ARG 32 HH12 ARG 32 25.265 19.312 2.740 261 HH21 ARG 32 HH21 ARG 32 23.309 19.964 -0.047 262 HH22 ARG 32 HH22 ARG 32 24.584 18.939 0.636 263 H VAL 33 H VAL 33 17.817 23.238 0.632 264 HA VAL 33 HA VAL 33 15.435 21.621 1.454 265 HB VAL 33 HB VAL 33 15.411 24.207 -0.160 266 HG11 VAL 33 HG11 VAL 33 13.638 22.706 -0.915 267 HG12 VAL 33 HG12 VAL 33 13.125 22.454 0.771 268 HG13 VAL 33 HG13 VAL 33 12.945 24.043 -0.000 269 HG21 VAL 33 HG21 VAL 33 14.124 25.199 1.686 270 HG22 VAL 33 HG22 VAL 33 14.396 23.726 2.656 271 HG23 VAL 33 HG23 VAL 33 15.753 24.775 2.192 272 H THR 34 H THR 34 14.867 20.085 -0.086 273 HA THR 34 HA THR 34 15.947 20.406 -2.861 274 HB THR 34 HB THR 34 16.024 17.838 -1.270 275 HG1 THR 34 HG1 THR 34 17.678 19.274 -0.740 276 HG21 THR 34 HG21 THR 34 15.616 17.284 -3.597 277 HG22 THR 34 HG22 THR 34 16.869 18.429 -4.138 278 HG23 THR 34 HG23 THR 34 17.314 16.974 -3.220 279 H THR 35 H THR 35 14.602 20.061 -4.485 280 HA THR 35 HA THR 35 11.784 19.460 -3.863 281 HB THR 35 HB THR 35 11.242 20.361 -5.992 282 HG1 THR 35 HG1 THR 35 12.870 21.017 -7.422 283 HG21 THR 35 HG21 THR 35 13.495 22.092 -4.896 284 HG22 THR 35 HG22 THR 35 12.101 22.607 -5.871 285 HG23 THR 35 HG23 THR 35 11.846 22.014 -4.224 286 H LEU 36 H LEU 36 10.446 18.281 -5.315 287 HA LEU 36 HA LEU 36 11.027 15.600 -5.945 288 HB2 LEU 36 HB2 LEU 36 8.808 16.534 -5.651 289 HB3 LEU 36 HB3 LEU 36 9.033 17.644 -6.991 290 HG LEU 36 HG LEU 36 9.005 15.766 -8.598 291 HD11 LEU 36 HD11 LEU 36 8.349 14.044 -6.164 292 HD12 LEU 36 HD12 LEU 36 8.269 13.526 -7.866 293 HD13 LEU 36 HD13 LEU 36 9.826 13.927 -7.141 294 HD21 LEU 36 HD21 LEU 36 6.641 15.771 -6.678 295 HD22 LEU 36 HD22 LEU 36 6.921 16.955 -7.971 296 HD23 LEU 36 HD23 LEU 36 6.623 15.259 -8.381 297 H PHE 37 H PHE 37 11.743 18.491 -7.804 298 HA PHE 37 HA PHE 37 12.498 16.909 -10.190 299 HB2 PHE 37 HB2 PHE 37 12.040 19.885 -9.924 300 HB3 PHE 37 HB3 PHE 37 12.348 19.002 -11.417 301 HD1 PHE 37 HD1 PHE 37 10.714 17.074 -12.052 302 HD2 PHE 37 HD2 PHE 37 9.785 20.102 -9.107 303 HE1 PHE 37 HE1 PHE 37 8.310 16.466 -12.157 304 HE2 PHE 37 HE2 PHE 37 7.386 19.493 -9.246 305 HZ PHE 37 HZ PHE 37 6.649 17.650 -10.741 306 H ASP 38 H ASP 38 14.072 17.275 -7.610 307 HA ASP 38 HA ASP 38 16.182 17.238 -6.975 308 HB2 ASP 38 HB2 ASP 38 16.200 15.607 -8.905 309 HB3 ASP 38 HB3 ASP 38 16.969 16.863 -9.877 310 H GLU 39 H GLU 39 15.106 19.906 -7.622 311 HA GLU 39 HA GLU 39 17.596 21.493 -8.070 312 HB2 GLU 39 HB2 GLU 39 14.766 22.390 -7.346 313 HB3 GLU 39 HB3 GLU 39 16.133 23.443 -7.642 314 HG2 GLU 39 HG2 GLU 39 14.785 21.602 -9.654 315 HG3 GLU 39 HG3 GLU 39 14.645 23.354 -9.576 316 H GLU 40 H GLU 40 18.876 22.097 -6.422 317 HA GLU 40 HA GLU 40 17.907 21.805 -3.610 318 HB2 GLU 40 HB2 GLU 40 19.856 20.442 -4.151 319 HB3 GLU 40 HB3 GLU 40 20.754 21.891 -4.653 320 HG2 GLU 40 HG2 GLU 40 20.664 22.799 -2.390 321 HG3 GLU 40 HG3 GLU 40 19.606 21.489 -1.863 322 H HIS 41 H HIS 41 17.885 23.481 -2.248 323 HA HIS 41 HA HIS 41 18.924 26.160 -3.087 324 HB2 HIS 41 HB2 HIS 41 16.319 25.696 -1.599 325 HB3 HIS 41 HB3 HIS 41 16.937 27.209 -2.248 326 HD2 HIS 41 HD2 HIS 41 15.070 24.024 -3.265 327 HE1 HIS 41 HE1 HIS 41 15.107 26.517 -6.725 328 HE2 HIS 41 HE2 HIS 41 14.159 24.385 -5.715 329 H ALA 42 H ALA 42 19.718 27.443 -1.370 330 HA ALA 42 HA ALA 42 19.800 26.246 1.348 331 HB1 ALA 42 HB1 ALA 42 21.772 25.382 0.111 332 HB2 ALA 42 HB2 ALA 42 22.287 27.052 -0.217 333 HB3 ALA 42 HB3 ALA 42 22.234 26.442 1.459 334 H PHE 43 H PHE 43 19.896 27.655 2.992 335 HA PHE 43 HA PHE 43 19.994 30.584 2.421 336 HB2 PHE 43 HB2 PHE 43 17.852 29.059 3.932 337 HB3 PHE 43 HB3 PHE 43 17.979 30.813 3.821 338 HD1 PHE 43 HD1 PHE 43 17.588 31.981 1.653 339 HD2 PHE 43 HD2 PHE 43 16.983 27.731 2.089 340 HE1 PHE 43 HE1 PHE 43 16.340 31.945 -0.489 341 HE2 PHE 43 HE2 PHE 43 15.739 27.692 -0.063 342 HZ PHE 43 HZ PHE 43 15.434 29.804 -1.366 343 HA PRO 44 HA PRO 44 22.572 29.997 6.108 344 HB2 PRO 44 HB2 PRO 44 23.850 32.396 6.168 345 HB3 PRO 44 HB3 PRO 44 24.230 31.121 4.969 346 HG2 PRO 44 HG2 PRO 44 22.394 33.518 4.608 347 HG3 PRO 44 HG3 PRO 44 23.725 32.963 3.529 348 HD2 PRO 44 HD2 PRO 44 21.117 32.305 3.084 349 HD3 PRO 44 HD3 PRO 44 22.449 31.152 2.735 350 H GLY 45 H GLY 45 22.487 30.568 8.226 351 HA2 GLY 45 HA2 GLY 45 21.946 31.684 10.162 352 HA3 GLY 45 HA3 GLY 45 21.241 32.995 9.221 353 H LEU 46 H LEU 46 19.865 29.942 8.449 354 HA LEU 46 HA LEU 46 17.460 30.555 10.105 355 HB2 LEU 46 HB2 LEU 46 17.658 28.972 7.524 356 HB3 LEU 46 HB3 LEU 46 16.183 29.289 8.433 357 HG LEU 46 HG LEU 46 17.868 31.350 6.968 358 HD11 LEU 46 HD11 LEU 46 16.385 29.845 5.625 359 HD12 LEU 46 HD12 LEU 46 15.002 30.428 6.556 360 HD13 LEU 46 HD13 LEU 46 15.924 31.557 5.536 361 HD21 LEU 46 HD21 LEU 46 15.346 31.727 8.647 362 HD22 LEU 46 HD22 LEU 46 16.948 32.439 8.960 363 HD23 LEU 46 HD23 LEU 46 16.026 32.947 7.549 364 H ALA 47 H ALA 47 16.156 28.840 10.835 365 HA ALA 47 HA ALA 47 17.194 26.082 10.909 366 HB1 ALA 47 HB1 ALA 47 18.040 27.030 13.012 367 HB2 ALA 47 HB2 ALA 47 16.421 27.650 13.408 368 HB3 ALA 47 HB3 ALA 47 16.723 25.898 13.351 369 H ILE 48 H ILE 48 15.420 24.544 11.566 370 HA ILE 48 HA ILE 48 12.885 25.341 10.311 371 HB ILE 48 HB ILE 48 13.714 22.724 11.587 372 HG12 ILE 48 HG12 ILE 48 13.562 23.284 8.597 373 HG13 ILE 48 HG13 ILE 48 15.051 23.497 9.500 374 HG21 ILE 48 HG21 ILE 48 11.343 23.430 9.787 375 HG22 ILE 48 HG22 ILE 48 11.775 21.779 10.258 376 HG23 ILE 48 HG23 ILE 48 11.257 22.928 11.487 377 HD11 ILE 48 HD11 ILE 48 13.565 20.881 9.139 378 HD12 ILE 48 HD12 ILE 48 15.160 21.338 8.522 379 HD13 ILE 48 HD13 ILE 48 14.931 21.112 10.259 380 H GLY 49 H GLY 49 11.185 26.201 11.356 381 HA2 GLY 49 HA2 GLY 49 11.105 26.117 14.356 382 HA3 GLY 49 HA3 GLY 49 10.463 27.380 13.330 383 H ARG 50 H ARG 50 9.103 25.501 11.475 384 HA ARG 50 HA ARG 50 7.075 24.168 13.182 385 HB2 ARG 50 HB2 ARG 50 6.559 26.753 12.311 386 HB3 ARG 50 HB3 ARG 50 5.987 25.823 10.938 387 HG2 ARG 50 HG2 ARG 50 4.042 25.687 12.052 388 HG3 ARG 50 HG3 ARG 50 4.809 24.416 12.996 389 HD2 ARG 50 HD2 ARG 50 4.535 27.380 13.671 390 HD3 ARG 50 HD3 ARG 50 3.755 26.015 14.478 391 HE ARG 50 HE ARG 50 6.719 25.991 14.506 392 HH11 ARG 50 HH11 ARG 50 3.921 27.021 16.434 393 HH12 ARG 50 HH12 ARG 50 4.957 27.099 17.868 394 HH21 ARG 50 HH21 ARG 50 7.832 26.316 16.349 395 HH22 ARG 50 HH22 ARG 50 6.943 26.732 17.815 396 H VAL 51 H VAL 51 6.054 22.463 12.265 397 HA VAL 51 HA VAL 51 6.401 21.849 9.364 398 HB VAL 51 HB VAL 51 7.037 19.974 11.675 399 HG11 VAL 51 HG11 VAL 51 7.683 18.363 9.851 400 HG12 VAL 51 HG12 VAL 51 5.951 18.670 9.984 401 HG13 VAL 51 HG13 VAL 51 6.900 19.449 8.686 402 HG21 VAL 51 HG21 VAL 51 8.862 20.943 9.441 403 HG22 VAL 51 HG22 VAL 51 8.913 21.535 11.107 404 HG23 VAL 51 HG23 VAL 51 9.277 19.849 10.787 405 H ASP 52 H ASP 52 4.512 21.206 8.483 406 HA ASP 52 HA ASP 52 2.407 19.903 10.137 407 HB2 ASP 52 HB2 ASP 52 2.115 22.360 10.299 408 HB3 ASP 52 HB3 ASP 52 2.030 22.466 8.541 409 H LEU 53 H LEU 53 2.210 18.036 9.080 410 HA LEU 53 HA LEU 53 2.573 17.745 6.168 411 HB2 LEU 53 HB2 LEU 53 1.810 15.803 8.410 412 HB3 LEU 53 HB3 LEU 53 1.969 15.352 6.732 413 HG LEU 53 HG LEU 53 3.852 14.624 7.936 414 HD11 LEU 53 HD11 LEU 53 4.701 16.920 6.146 415 HD12 LEU 53 HD12 LEU 53 5.646 15.469 6.558 416 HD13 LEU 53 HD13 LEU 53 4.174 15.315 5.598 417 HD21 LEU 53 HD21 LEU 53 5.495 16.045 8.998 418 HD22 LEU 53 HD22 LEU 53 4.594 17.493 8.566 419 HD23 LEU 53 HD23 LEU 53 3.903 16.339 9.737 420 H ARG 54 H ARG 54 -0.093 18.097 8.392 421 HA ARG 54 HA ARG 54 -2.256 17.043 6.754 422 HB2 ARG 54 HB2 ARG 54 -2.606 17.221 9.086 423 HB3 ARG 54 HB3 ARG 54 -1.927 18.819 9.165 424 HG2 ARG 54 HG2 ARG 54 -4.014 19.634 7.868 425 HG3 ARG 54 HG3 ARG 54 -4.677 18.018 8.168 426 HD2 ARG 54 HD2 ARG 54 -5.421 19.616 9.893 427 HD3 ARG 54 HD3 ARG 54 -4.368 18.377 10.611 428 HE ARG 54 HE ARG 54 -3.053 20.876 9.726 429 HH11 ARG 54 HH11 ARG 54 -4.247 19.152 12.589 430 HH12 ARG 54 HH12 ARG 54 -3.069 20.008 13.585 431 HH21 ARG 54 HH21 ARG 54 -1.650 21.840 11.165 432 HH22 ARG 54 HH22 ARG 54 -1.812 21.416 12.868 433 H SER 55 H SER 55 -0.969 20.344 7.273 434 HA SER 55 HA SER 55 -2.486 21.407 4.957 435 HB2 SER 55 HB2 SER 55 -0.479 22.720 6.801 436 HB3 SER 55 HB3 SER 55 -1.428 23.554 5.564 437 HG SER 55 HG SER 55 -3.307 23.033 6.659 438 H GLY 56 H GLY 56 0.727 20.102 5.470 439 HA2 GLY 56 HA2 GLY 56 2.346 19.579 3.896 440 HA3 GLY 56 HA3 GLY 56 1.380 20.334 2.626 441 H VAL 57 H VAL 57 2.768 21.687 5.672 442 HA VAL 57 HA VAL 57 4.343 23.674 4.081 443 HB VAL 57 HB VAL 57 2.508 24.407 6.393 444 HG11 VAL 57 HG11 VAL 57 4.263 26.149 4.587 445 HG12 VAL 57 HG12 VAL 57 3.058 26.745 5.750 446 HG13 VAL 57 HG13 VAL 57 4.472 25.876 6.336 447 HG21 VAL 57 HG21 VAL 57 2.260 24.963 3.406 448 HG22 VAL 57 HG22 VAL 57 1.162 23.984 4.394 449 HG23 VAL 57 HG23 VAL 57 1.264 25.722 4.668 450 H ILE 58 H ILE 58 6.269 24.233 4.877 451 HA ILE 58 HA ILE 58 7.042 23.538 7.675 452 HB ILE 58 HB ILE 58 8.671 23.225 5.137 453 HG12 ILE 58 HG12 ILE 58 7.989 21.111 7.224 454 HG13 ILE 58 HG13 ILE 58 7.018 21.372 5.775 455 HG21 ILE 58 HG21 ILE 58 9.564 22.966 8.047 456 HG22 ILE 58 HG22 ILE 58 10.531 22.468 6.652 457 HG23 ILE 58 HG23 ILE 58 10.139 24.163 6.864 458 HD11 ILE 58 HD11 ILE 58 8.485 19.559 5.343 459 HD12 ILE 58 HD12 ILE 58 8.982 20.933 4.340 460 HD13 ILE 58 HD13 ILE 58 9.917 20.500 5.800 461 H SER 59 H SER 59 7.743 25.260 8.804 462 HA SER 59 HA SER 59 8.292 27.815 7.316 463 HB2 SER 59 HB2 SER 59 7.199 27.544 10.125 464 HB3 SER 59 HB3 SER 59 7.434 29.034 9.207 465 HG SER 59 HG SER 59 5.249 28.327 9.112 466 H LEU 60 H LEU 60 10.194 28.743 7.540 467 HA LEU 60 HA LEU 60 12.112 27.705 9.569 468 HB2 LEU 60 HB2 LEU 60 12.680 29.505 7.213 469 HB3 LEU 60 HB3 LEU 60 13.850 28.643 8.217 470 HG LEU 60 HG LEU 60 11.887 27.406 6.231 471 HD11 LEU 60 HD11 LEU 60 14.926 27.550 6.303 472 HD12 LEU 60 HD12 LEU 60 13.947 26.733 5.060 473 HD13 LEU 60 HD13 LEU 60 13.859 28.484 5.246 474 HD21 LEU 60 HD21 LEU 60 12.085 25.848 8.101 475 HD22 LEU 60 HD22 LEU 60 13.017 25.252 6.723 476 HD23 LEU 60 HD23 LEU 60 13.863 26.017 8.090 477 H ILE 61 H ILE 61 13.413 29.054 10.806 478 HA ILE 61 HA ILE 61 12.508 31.843 11.319 479 HB ILE 61 HB ILE 61 12.663 31.517 13.707 480 HG12 ILE 61 HG12 ILE 61 12.557 28.835 14.314 481 HG13 ILE 61 HG13 ILE 61 13.734 28.833 13.003 482 HG21 ILE 61 HG21 ILE 61 10.493 31.201 12.588 483 HG22 ILE 61 HG22 ILE 61 10.799 29.456 12.494 484 HG23 ILE 61 HG23 ILE 61 10.634 30.258 14.071 485 HD11 ILE 61 HD11 ILE 61 13.958 30.561 15.495 486 HD12 ILE 61 HD12 ILE 61 14.771 29.002 15.250 487 HD13 ILE 61 HD13 ILE 61 15.172 30.372 14.218 488 H GLU 62 H GLU 62 14.114 33.141 12.486 489 HA GLU 62 HA GLU 62 16.787 32.727 11.342 490 HB2 GLU 62 HB2 GLU 62 15.669 34.937 13.115 491 HB3 GLU 62 HB3 GLU 62 17.310 34.887 12.450 492 HG2 GLU 62 HG2 GLU 62 16.354 34.863 10.135 493 HG3 GLU 62 HG3 GLU 62 14.731 34.962 10.820 494 H GLU 63 H GLU 63 18.416 31.740 12.303 495 HA GLU 63 HA GLU 63 18.328 31.029 15.180 496 HB2 GLU 63 HB2 GLU 63 18.740 29.398 13.289 497 HB3 GLU 63 HB3 GLU 63 20.321 30.129 13.049 498 HG2 GLU 63 HG2 GLU 63 19.598 29.239 15.844 499 HG3 GLU 63 HG3 GLU 63 19.752 27.978 14.638 500 H GLN 64 H GLN 64 19.977 31.620 16.654 501 HA GLN 64 HA GLN 64 22.087 33.488 15.854 502 HB2 GLN 64 HB2 GLN 64 21.425 35.324 17.282 503 HB3 GLN 64 HB3 GLN 64 20.267 35.038 16.006 504 HG2 GLN 64 HG2 GLN 64 19.890 34.092 18.899 505 HG3 GLN 64 HG3 GLN 64 19.291 35.624 18.263 506 HE21 GLN 64 HE21 GLN 64 18.022 35.231 15.995 507 HE22 GLN 64 HE22 GLN 64 16.939 33.835 16.009 508 H ASN 65 H ASN 65 22.385 30.922 16.840 509 HA ASN 65 HA ASN 65 22.811 30.852 19.682 510 HB2 ASN 65 HB2 ASN 65 23.561 29.036 17.344 511 HB3 ASN 65 HB3 ASN 65 23.845 28.638 19.012 512 HD21 ASN 65 HD21 ASN 65 22.512 26.742 18.213 513 HD22 ASN 65 HD22 ASN 65 20.784 26.873 18.541 514 H ARG 66 H ARG 66 24.627 32.581 17.556 515 HA ARG 66 HA ARG 66 27.230 32.234 18.979 516 HB2 ARG 66 HB2 ARG 66 26.816 32.292 15.967 517 HB3 ARG 66 HB3 ARG 66 28.385 32.391 16.760 518 HG2 ARG 66 HG2 ARG 66 28.266 30.146 17.574 519 HG3 ARG 66 HG3 ARG 66 26.549 30.020 17.227 520 HD2 ARG 66 HD2 ARG 66 27.704 30.629 14.719 521 HD3 ARG 66 HD3 ARG 66 28.841 29.526 15.474 522 HE ARG 66 HE ARG 66 27.355 27.810 15.136 523 HH11 ARG 66 HH11 ARG 66 25.449 30.762 15.013 524 HH12 ARG 66 HH12 ARG 66 23.936 29.883 14.892 525 HH21 ARG 66 HH21 ARG 66 25.384 26.784 14.845 526 HH22 ARG 66 HH22 ARG 66 23.912 27.750 14.824 527 H1 GLY -3 H1 GLY -3 -10.443 11.237 2.503 528 H2 GLY -3 H2 GLY -3 -9.882 10.888 3.997 529 H3 GLY -3 H3 GLY -3 -8.974 10.538 2.682 530 HA2 GLY -3 HA2 GLY -3 -9.699 13.255 3.593 531 HA3 GLY -3 HA3 GLY -3 -8.113 12.499 3.802 532 HA PRO -2 HA PRO -2 -8.512 14.752 -0.401 533 HB2 PRO -2 HB2 PRO -2 -7.129 17.053 0.101 534 HB3 PRO -2 HB3 PRO -2 -8.877 16.873 0.453 535 HG2 PRO -2 HG2 PRO -2 -6.558 16.520 2.393 536 HG3 PRO -2 HG3 PRO -2 -8.032 17.519 2.601 537 HD2 PRO -2 HD2 PRO -2 -7.871 15.016 3.634 538 HD3 PRO -2 HD3 PRO -2 -9.402 15.620 2.921 539 H GLY -1 H GLY -1 -6.737 15.052 -1.908 540 HA2 GLY -1 HA2 GLY -1 -4.483 13.313 -1.505 541 HA3 GLY -1 HA3 GLY -1 -4.757 14.385 -2.875 542 H SER 0 H SER 0 -4.902 16.618 -0.582 543 HA SER 0 HA SER 0 -2.154 17.506 -0.889 544 HB2 SER 0 HB2 SER 0 -2.966 19.487 0.335 545 HB3 SER 0 HB3 SER 0 -3.985 19.063 -1.055 546 HG SER 0 HG SER 0 -5.214 19.571 0.842 547 H MET 1 H MET 1 -3.967 15.974 1.766 548 HA MET 1 HA MET 1 -1.946 16.726 3.755 549 HB2 MET 1 HB2 MET 1 -3.262 15.647 5.380 550 HB3 MET 1 HB3 MET 1 -4.335 16.607 4.368 551 HG2 MET 1 HG2 MET 1 -5.112 14.597 3.233 552 HG3 MET 1 HG3 MET 1 -3.938 13.596 4.075 553 HE1 MET 1 HE1 MET 1 -5.296 13.337 7.701 554 HE2 MET 1 HE2 MET 1 -4.085 12.780 6.516 555 HE3 MET 1 HE3 MET 1 -4.030 14.444 7.141 556 H CYS 2 H CYS 2 -0.727 15.336 5.033 557 HA CYS 2 HA CYS 2 -0.400 12.502 4.326 558 HB2 CYS 2 HB2 CYS 2 1.269 14.332 3.108 559 HB3 CYS 2 HB3 CYS 2 2.163 14.007 4.578 560 H MET 3 H MET 3 1.643 11.777 5.928 561 HA MET 3 HA MET 3 1.531 13.151 8.515 562 HB2 MET 3 HB2 MET 3 0.848 11.290 9.839 563 HB3 MET 3 HB3 MET 3 -0.370 11.566 8.612 564 HG2 MET 3 HG2 MET 3 -0.195 9.279 8.688 565 HG3 MET 3 HG3 MET 3 0.768 9.685 7.266 566 HE1 MET 3 HE1 MET 3 0.737 6.832 8.765 567 HE2 MET 3 HE2 MET 3 1.702 7.187 7.314 568 HE3 MET 3 HE3 MET 3 2.466 6.448 8.740 569 H ALA 4 H ALA 4 3.086 12.246 10.068 570 HA ALA 4 HA ALA 4 5.546 11.145 8.782 571 HB1 ALA 4 HB1 ALA 4 5.203 13.671 10.455 572 HB2 ALA 4 HB2 ALA 4 6.769 12.978 10.017 573 HB3 ALA 4 HB3 ALA 4 5.699 13.553 8.746 574 H LYS 5 H LYS 5 7.277 10.823 10.485 575 HA LYS 5 HA LYS 5 6.275 10.125 13.179 576 HB2 LYS 5 HB2 LYS 5 7.711 8.183 13.350 577 HB3 LYS 5 HB3 LYS 5 6.511 7.968 12.079 578 HG2 LYS 5 HG2 LYS 5 8.158 8.372 10.338 579 HG3 LYS 5 HG3 LYS 5 9.396 8.813 11.521 580 HD2 LYS 5 HD2 LYS 5 8.103 6.064 11.406 581 HD3 LYS 5 HD3 LYS 5 9.605 6.490 10.576 582 HE2 LYS 5 HE2 LYS 5 10.647 7.114 12.733 583 HE3 LYS 5 HE3 LYS 5 9.153 6.699 13.581 584 HZ1 LYS 5 HZ1 LYS 5 10.854 4.791 12.093 585 HZ2 LYS 5 HZ2 LYS 5 10.690 4.894 13.725 586 HZ3 LYS 5 HZ3 LYS 5 9.429 4.411 12.810 587 H VAL 6 H VAL 6 7.648 10.539 14.846 588 HA VAL 6 HA VAL 6 9.977 12.334 14.235 589 HB VAL 6 HB VAL 6 8.068 12.344 16.593 590 HG11 VAL 6 HG11 VAL 6 10.532 14.080 16.066 591 HG12 VAL 6 HG12 VAL 6 9.315 14.388 17.319 592 HG13 VAL 6 HG13 VAL 6 10.306 12.932 17.417 593 HG21 VAL 6 HG21 VAL 6 7.237 13.428 14.464 594 HG22 VAL 6 HG22 VAL 6 7.444 14.552 15.813 595 HG23 VAL 6 HG23 VAL 6 8.652 14.491 14.513 596 H VAL 7 H VAL 7 11.936 11.952 15.173 597 HA VAL 7 HA VAL 7 12.123 9.863 17.291 598 HB VAL 7 HB VAL 7 12.883 8.845 15.232 599 HG11 VAL 7 HG11 VAL 7 13.704 10.774 13.964 600 HG12 VAL 7 HG12 VAL 7 15.042 10.996 15.114 601 HG13 VAL 7 HG13 VAL 7 14.946 9.534 14.108 602 HG21 VAL 7 HG21 VAL 7 14.993 7.989 16.022 603 HG22 VAL 7 HG22 VAL 7 15.270 9.414 17.050 604 HG23 VAL 7 HG23 VAL 7 13.960 8.284 17.428 605 H LEU 8 H LEU 8 13.350 10.271 19.002 606 HA LEU 8 HA LEU 8 15.173 12.541 19.201 607 HB2 LEU 8 HB2 LEU 8 13.914 13.759 20.854 608 HB3 LEU 8 HB3 LEU 8 12.948 13.548 19.408 609 HG LEU 8 HG LEU 8 12.054 11.395 20.826 610 HD11 LEU 8 HD11 LEU 8 13.391 11.976 22.874 611 HD12 LEU 8 HD12 LEU 8 12.632 13.567 22.904 612 HD13 LEU 8 HD13 LEU 8 11.653 12.112 23.157 613 HD21 LEU 8 HD21 LEU 8 10.672 13.151 19.781 614 HD22 LEU 8 HD22 LEU 8 10.104 12.692 21.391 615 HD23 LEU 8 HD23 LEU 8 10.995 14.208 21.170 616 H THR 9 H THR 9 16.015 12.725 21.546 617 HA THR 9 HA THR 9 15.993 10.102 22.964 618 HB THR 9 HB THR 9 18.578 11.624 22.490 619 HG1 THR 9 HG1 THR 9 17.905 10.837 20.544 620 HG21 THR 9 HG21 THR 9 19.612 9.481 23.159 621 HG22 THR 9 HG22 THR 9 18.574 10.073 24.460 622 HG23 THR 9 HG23 THR 9 18.004 8.768 23.402 623 H LYS 10 H LYS 10 15.872 10.230 25.121 624 HA LYS 10 HA LYS 10 15.368 12.745 26.476 625 HB2 LYS 10 HB2 LYS 10 15.907 9.969 27.609 626 HB3 LYS 10 HB3 LYS 10 15.250 11.334 28.514 627 HG2 LYS 10 HG2 LYS 10 13.233 11.338 27.066 628 HG3 LYS 10 HG3 LYS 10 13.881 9.952 26.167 629 HD2 LYS 10 HD2 LYS 10 13.975 8.660 28.351 630 HD3 LYS 10 HD3 LYS 10 13.172 10.045 29.140 631 HE2 LYS 10 HE2 LYS 10 11.284 9.798 27.494 632 HE3 LYS 10 HE3 LYS 10 12.092 8.366 26.832 633 HZ1 LYS 10 HZ1 LYS 10 11.107 8.644 29.618 634 HZ2 LYS 10 HZ2 LYS 10 10.418 7.735 28.457 635 HZ3 LYS 10 HZ3 LYS 10 11.879 7.333 29.030 636 H ALA 11 H ALA 11 16.465 13.507 28.391 637 HA ALA 11 HA ALA 11 19.322 13.811 28.220 638 HB1 ALA 11 HB1 ALA 11 19.055 14.870 30.418 639 HB2 ALA 11 HB2 ALA 11 17.802 15.441 29.301 640 HB3 ALA 11 HB3 ALA 11 17.399 14.243 30.559 641 H ASP 12 H ASP 12 17.276 11.421 29.821 642 HA ASP 12 HA ASP 12 19.355 10.106 31.362 643 HB2 ASP 12 HB2 ASP 12 16.579 9.259 30.464 644 HB3 ASP 12 HB3 ASP 12 17.583 8.380 31.603 645 H GLY 13 H GLY 13 18.957 10.246 28.023 646 HA2 GLY 13 HA2 GLY 13 20.181 9.144 26.402 647 HA3 GLY 13 HA3 GLY 13 20.638 7.884 27.541 648 H GLY 14 H GLY 14 17.255 8.352 27.614 649 HA2 GLY 14 HA2 GLY 14 16.712 5.778 26.363 650 HA3 GLY 14 HA3 GLY 14 15.544 6.908 27.062 651 H ARG 15 H ARG 15 16.420 5.469 24.212 652 HA ARG 15 HA ARG 15 15.871 7.604 22.290 653 HB2 ARG 15 HB2 ARG 15 17.233 5.635 21.751 654 HB3 ARG 15 HB3 ARG 15 15.871 4.564 22.057 655 HG2 ARG 15 HG2 ARG 15 16.306 4.886 19.668 656 HG3 ARG 15 HG3 ARG 15 14.684 5.372 20.111 657 HD2 ARG 15 HD2 ARG 15 15.879 6.846 18.429 658 HD3 ARG 15 HD3 ARG 15 15.148 7.675 19.796 659 HE ARG 15 HE ARG 15 17.214 8.459 20.417 660 HH11 ARG 15 HH11 ARG 15 17.910 5.721 18.323 661 HH12 ARG 15 HH12 ARG 15 19.630 6.019 18.393 662 HH21 ARG 15 HH21 ARG 15 19.295 8.789 20.425 663 HH22 ARG 15 HH22 ARG 15 20.414 7.748 19.555 664 H VAL 16 H VAL 16 13.988 8.259 21.453 665 HA VAL 16 HA VAL 16 11.438 6.850 22.139 666 HB VAL 16 HB VAL 16 12.119 9.790 22.455 667 HG11 VAL 16 HG11 VAL 16 9.893 9.709 21.437 668 HG12 VAL 16 HG12 VAL 16 9.371 8.486 22.621 669 HG13 VAL 16 HG13 VAL 16 9.764 10.147 23.137 670 HG21 VAL 16 HG21 VAL 16 11.338 9.461 24.767 671 HG22 VAL 16 HG22 VAL 16 11.063 7.733 24.430 672 HG23 VAL 16 HG23 VAL 16 12.710 8.416 24.392 673 H GLU 17 H GLU 17 9.951 6.758 20.571 674 HA GLU 17 HA GLU 17 10.243 8.380 18.109 675 HB2 GLU 17 HB2 GLU 17 9.861 5.357 18.160 676 HB3 GLU 17 HB3 GLU 17 9.636 6.395 16.744 677 HG2 GLU 17 HG2 GLU 17 11.984 7.108 16.847 678 HG3 GLU 17 HG3 GLU 17 12.265 6.089 18.263 679 H ILE 18 H ILE 18 8.329 8.957 17.144 680 HA ILE 18 HA ILE 18 5.740 8.118 18.410 681 HB ILE 18 HB ILE 18 6.548 10.965 17.707 682 HG12 ILE 18 HG12 ILE 18 6.091 9.839 20.509 683 HG13 ILE 18 HG13 ILE 18 7.687 10.099 19.798 684 HG21 ILE 18 HG21 ILE 18 4.380 11.609 18.700 685 HG22 ILE 18 HG22 ILE 18 4.117 10.467 17.393 686 HG23 ILE 18 HG23 ILE 18 4.029 9.910 19.078 687 HD11 ILE 18 HD11 ILE 18 5.676 12.290 20.368 688 HD12 ILE 18 HD12 ILE 18 7.187 11.945 21.207 689 HD13 ILE 18 HD13 ILE 18 7.237 12.493 19.526 690 H GLY 19 H GLY 19 4.412 7.338 16.906 691 HA2 GLY 19 HA2 GLY 19 4.850 7.894 14.022 692 HA3 GLY 19 HA3 GLY 19 3.871 6.607 14.714 693 H ASP 20 H ASP 20 2.877 7.980 12.657 694 HA ASP 20 HA ASP 20 1.095 9.082 11.843 695 HB2 ASP 20 HB2 ASP 20 -0.216 8.490 14.513 696 HB3 ASP 20 HB3 ASP 20 -1.014 8.753 12.961 697 H VAL 21 H VAL 21 2.988 10.862 12.855 698 HA VAL 21 HA VAL 21 1.739 13.009 14.379 699 HB VAL 21 HB VAL 21 4.423 12.796 12.980 700 HG11 VAL 21 HG11 VAL 21 5.063 14.776 14.306 701 HG12 VAL 21 HG12 VAL 21 3.844 15.162 13.104 702 HG13 VAL 21 HG13 VAL 21 3.373 14.992 14.813 703 HG21 VAL 21 HG21 VAL 21 4.188 11.292 14.907 704 HG22 VAL 21 HG22 VAL 21 5.258 12.628 15.329 705 HG23 VAL 21 HG23 VAL 21 3.578 12.625 15.904 706 H LEU 22 H LEU 22 0.698 14.766 13.629 707 HA LEU 22 HA LEU 22 0.625 15.271 10.670 708 HB2 LEU 22 HB2 LEU 22 -1.175 16.257 12.922 709 HB3 LEU 22 HB3 LEU 22 -1.271 16.796 11.247 710 HG LEU 22 HG LEU 22 -1.802 13.976 12.262 711 HD11 LEU 22 HD11 LEU 22 -3.592 15.621 12.694 712 HD12 LEU 22 HD12 LEU 22 -3.578 16.103 10.986 713 HD13 LEU 22 HD13 LEU 22 -4.095 14.469 11.437 714 HD21 LEU 22 HD21 LEU 22 -0.818 13.729 10.056 715 HD22 LEU 22 HD22 LEU 22 -2.560 13.530 9.898 716 HD23 LEU 22 HD23 LEU 22 -1.808 15.063 9.422 717 H GLU 23 H GLU 23 1.758 16.695 13.719 718 HA GLU 23 HA GLU 23 3.171 18.727 12.163 719 HB2 GLU 23 HB2 GLU 23 2.236 20.651 13.374 720 HB3 GLU 23 HB3 GLU 23 1.027 19.831 12.402 721 HG2 GLU 23 HG2 GLU 23 0.141 18.692 14.411 722 HG3 GLU 23 HG3 GLU 23 1.367 19.490 15.411 723 H VAL 24 H VAL 24 4.737 19.906 13.237 724 HA VAL 24 HA VAL 24 5.543 19.112 15.982 725 HB VAL 24 HB VAL 24 7.484 19.044 13.641 726 HG11 VAL 24 HG11 VAL 24 7.829 18.338 16.587 727 HG12 VAL 24 HG12 VAL 24 9.039 18.078 15.310 728 HG13 VAL 24 HG13 VAL 24 8.563 19.715 15.758 729 HG21 VAL 24 HG21 VAL 24 6.293 16.758 15.246 730 HG22 VAL 24 HG22 VAL 24 6.079 17.067 13.505 731 HG23 VAL 24 HG23 VAL 24 7.669 16.620 14.124 732 H ARG 25 H ARG 25 6.365 20.743 17.122 733 HA ARG 25 HA ARG 25 6.611 23.466 15.857 734 HB2 ARG 25 HB2 ARG 25 4.966 22.475 18.218 735 HB3 ARG 25 HB3 ARG 25 5.255 24.185 17.899 736 HG2 ARG 25 HG2 ARG 25 4.147 24.030 15.738 737 HG3 ARG 25 HG3 ARG 25 3.906 22.294 15.899 738 HD2 ARG 25 HD2 ARG 25 2.755 24.287 17.899 739 HD3 ARG 25 HD3 ARG 25 1.917 23.829 16.419 740 HE ARG 25 HE ARG 25 1.809 21.532 17.139 741 HH11 ARG 25 HH11 ARG 25 2.424 23.812 19.750 742 HH12 ARG 25 HH12 ARG 25 1.874 22.667 20.951 743 HH21 ARG 25 HH21 ARG 25 1.154 20.147 18.811 744 HH22 ARG 25 HH22 ARG 25 1.282 20.723 20.463 745 H ALA 26 H ALA 26 8.717 23.993 16.157 746 HA ALA 26 HA ALA 26 10.069 23.413 18.734 747 HB1 ALA 26 HB1 ALA 26 11.081 24.616 16.139 748 HB2 ALA 26 HB2 ALA 26 12.067 24.223 17.558 749 HB3 ALA 26 HB3 ALA 26 11.262 22.929 16.654 750 H GLU 27 H GLU 27 9.955 24.763 20.347 751 HA GLU 27 HA GLU 27 9.472 27.680 19.942 752 HB2 GLU 27 HB2 GLU 27 9.156 25.914 22.413 753 HB3 GLU 27 HB3 GLU 27 8.778 27.633 22.338 754 HG2 GLU 27 HG2 GLU 27 7.390 25.420 20.773 755 HG3 GLU 27 HG3 GLU 27 6.758 26.241 22.201 756 H GLY 28 H GLY 28 12.048 25.875 20.086 757 HA2 GLY 28 HA2 GLY 28 14.305 26.308 20.464 758 HA3 GLY 28 HA3 GLY 28 13.887 27.889 21.118 759 H GLY 29 H GLY 29 12.328 27.276 23.299 760 HA2 GLY 29 HA2 GLY 29 14.114 26.036 25.262 761 HA3 GLY 29 HA3 GLY 29 12.506 26.714 25.542 762 H ALA 30 H ALA 30 11.575 24.863 23.197 763 HA ALA 30 HA ALA 30 11.857 22.146 24.146 764 HB1 ALA 30 HB1 ALA 30 9.181 23.576 24.510 765 HB2 ALA 30 HB2 ALA 30 9.471 21.835 24.747 766 HB3 ALA 30 HB3 ALA 30 10.239 23.008 25.822 767 H VAL 31 H VAL 31 10.589 20.624 22.827 768 HA VAL 31 HA VAL 31 9.301 21.768 20.371 769 HB VAL 31 HB VAL 31 10.731 19.106 20.610 770 HG11 VAL 31 HG11 VAL 31 10.060 18.804 18.194 771 HG12 VAL 31 HG12 VAL 31 8.722 18.643 19.331 772 HG13 VAL 31 HG13 VAL 31 8.924 20.144 18.379 773 HG21 VAL 31 HG21 VAL 31 12.121 19.918 18.813 774 HG22 VAL 31 HG22 VAL 31 11.094 21.358 18.590 775 HG23 VAL 31 HG23 VAL 31 12.077 21.174 20.056 776 H ARG 32 H ARG 32 7.250 21.231 19.967 777 HA ARG 32 HA ARG 32 5.867 19.225 21.693 778 HB2 ARG 32 HB2 ARG 32 4.801 21.825 20.527 779 HB3 ARG 32 HB3 ARG 32 3.798 20.600 21.307 780 HG2 ARG 32 HG2 ARG 32 4.992 20.891 23.434 781 HG3 ARG 32 HG3 ARG 32 6.148 21.978 22.666 782 HD2 ARG 32 HD2 ARG 32 4.710 23.348 23.885 783 HD3 ARG 32 HD3 ARG 32 4.294 23.589 22.178 784 HE ARG 32 HE ARG 32 2.489 21.665 22.939 785 HH11 ARG 32 HH11 ARG 32 0.508 21.914 23.809 786 HH12 ARG 32 HH12 ARG 32 0.112 23.371 24.691 787 HH21 ARG 32 HH21 ARG 32 3.220 24.800 24.371 788 HH22 ARG 32 HH22 ARG 32 1.611 24.928 25.047 789 H VAL 33 H VAL 33 4.491 17.803 20.703 790 HA VAL 33 HA VAL 33 4.552 17.548 17.709 791 HB VAL 33 HB VAL 33 5.134 15.387 19.783 792 HG11 VAL 33 HG11 VAL 33 5.653 13.945 17.821 793 HG12 VAL 33 HG12 VAL 33 3.953 14.387 17.889 794 HG13 VAL 33 HG13 VAL 33 5.035 15.213 16.746 795 HG21 VAL 33 HG21 VAL 33 7.002 16.600 17.713 796 HG22 VAL 33 HG22 VAL 33 7.101 16.826 19.473 797 HG23 VAL 33 HG23 VAL 33 7.373 15.232 18.774 798 H THR 34 H THR 34 2.619 16.832 16.802 799 HA THR 34 HA THR 34 0.486 15.851 18.673 800 HB THR 34 HB THR 34 0.089 17.887 16.481 801 HG1 THR 34 HG1 THR 34 -0.070 18.175 19.286 802 HG21 THR 34 HG21 THR 34 -2.161 18.193 17.552 803 HG22 THR 34 HG22 THR 34 -1.963 16.612 16.789 804 HG23 THR 34 HG23 THR 34 -1.828 16.757 18.558 805 H THR 35 H THR 35 -0.557 14.098 18.088 806 HA THR 35 HA THR 35 0.007 12.845 15.491 807 HB THR 35 HB THR 35 -0.974 10.867 16.337 808 HG1 THR 35 HG1 THR 35 -1.976 10.849 18.386 809 HG21 THR 35 HG21 THR 35 0.326 10.383 18.303 810 HG22 THR 35 HG22 THR 35 1.285 11.428 17.245 811 HG23 THR 35 HG23 THR 35 0.515 12.118 18.686 812 H LEU 36 H LEU 36 -1.687 11.740 14.278 813 HA LEU 36 HA LEU 36 -3.876 13.288 13.376 814 HB2 LEU 36 HB2 LEU 36 -2.708 11.540 12.140 815 HB3 LEU 36 HB3 LEU 36 -3.257 10.297 13.253 816 HG LEU 36 HG LEU 36 -5.354 11.940 11.825 817 HD11 LEU 36 HD11 LEU 36 -3.751 11.421 10.053 818 HD12 LEU 36 HD12 LEU 36 -3.749 9.705 10.527 819 HD13 LEU 36 HD13 LEU 36 -5.226 10.452 9.863 820 HD21 LEU 36 HD21 LEU 36 -6.024 10.093 13.428 821 HD22 LEU 36 HD22 LEU 36 -6.548 9.779 11.768 822 HD23 LEU 36 HD23 LEU 36 -5.124 8.944 12.424 823 H PHE 37 H PHE 37 -3.641 11.119 16.107 824 HA PHE 37 HA PHE 37 -6.546 11.078 16.606 825 HB2 PHE 37 HB2 PHE 37 -4.253 9.818 18.140 826 HB3 PHE 37 HB3 PHE 37 -5.969 9.512 18.395 827 HD1 PHE 37 HD1 PHE 37 -3.036 8.731 16.354 828 HD2 PHE 37 HD2 PHE 37 -7.337 8.377 16.580 829 HE1 PHE 37 HE1 PHE 37 -2.991 7.003 14.582 830 HE2 PHE 37 HE2 PHE 37 -7.276 6.659 14.789 831 HZ PHE 37 HZ PHE 37 -5.113 5.956 13.795 832 H ASP 38 H ASP 38 -4.537 13.502 16.930 833 HA ASP 38 HA ASP 38 -4.342 15.363 18.123 834 HB2 ASP 38 HB2 ASP 38 -6.993 14.672 19.403 835 HB3 ASP 38 HB3 ASP 38 -6.227 16.259 19.333 836 H GLU 39 H GLU 39 -3.216 12.855 19.330 837 HA GLU 39 HA GLU 39 -3.032 13.524 22.212 838 HB2 GLU 39 HB2 GLU 39 -1.402 11.577 20.532 839 HB3 GLU 39 HB3 GLU 39 -1.285 11.781 22.272 840 HG2 GLU 39 HG2 GLU 39 -3.720 10.795 20.723 841 HG3 GLU 39 HG3 GLU 39 -2.604 9.796 21.649 842 H GLU 40 H GLU 40 -1.631 15.000 23.013 843 HA GLU 40 HA GLU 40 0.532 16.053 21.261 844 HB2 GLU 40 HB2 GLU 40 -1.023 17.746 22.049 845 HB3 GLU 40 HB3 GLU 40 -0.696 17.301 23.730 846 HG2 GLU 40 HG2 GLU 40 1.605 18.026 23.567 847 HG3 GLU 40 HG3 GLU 40 1.492 18.185 21.812 848 H HIS 41 H HIS 41 2.603 15.962 21.776 849 HA HIS 41 HA HIS 41 3.500 14.888 24.417 850 HB2 HIS 41 HB2 HIS 41 4.843 14.313 21.769 851 HB3 HIS 41 HB3 HIS 41 5.246 13.653 23.348 852 HD2 HIS 41 HD2 HIS 41 2.855 13.218 20.386 853 HE1 HIS 41 HE1 HIS 41 1.861 10.101 23.114 854 HE2 HIS 41 HE2 HIS 41 1.452 11.020 20.779 855 H ALA 42 H ALA 42 5.475 15.847 25.201 856 HA ALA 42 HA ALA 42 6.568 18.146 23.680 857 HB1 ALA 42 HB1 ALA 42 6.265 19.657 25.603 858 HB2 ALA 42 HB2 ALA 42 4.698 19.058 25.008 859 HB3 ALA 42 HB3 ALA 42 5.415 18.379 26.482 860 H PHE 43 H PHE 43 8.635 18.633 24.054 861 HA PHE 43 HA PHE 43 10.198 17.022 26.037 862 HB2 PHE 43 HB2 PHE 43 10.731 17.227 23.067 863 HB3 PHE 43 HB3 PHE 43 11.739 16.394 24.266 864 HD1 PHE 43 HD1 PHE 43 8.741 16.211 22.174 865 HD2 PHE 43 HD2 PHE 43 10.855 14.358 25.443 866 HE1 PHE 43 HE1 PHE 43 7.296 14.213 21.972 867 HE2 PHE 43 HE2 PHE 43 9.403 12.348 25.239 868 HZ PHE 43 HZ PHE 43 7.610 12.283 23.526 869 HA PRO 44 HA PRO 44 11.815 21.262 26.319 870 HB2 PRO 44 HB2 PRO 44 13.264 21.040 28.621 871 HB3 PRO 44 HB3 PRO 44 11.475 21.118 28.595 872 HG2 PRO 44 HG2 PRO 44 13.217 18.636 28.758 873 HG3 PRO 44 HG3 PRO 44 11.802 19.066 29.775 874 HD2 PRO 44 HD2 PRO 44 11.599 17.394 27.636 875 HD3 PRO 44 HD3 PRO 44 10.288 18.550 28.055 876 H GLY 45 H GLY 45 13.686 22.319 25.855 877 HA2 GLY 45 HA2 GLY 45 15.877 22.746 25.368 878 HA3 GLY 45 HA3 GLY 45 16.325 21.150 25.955 879 H LEU 46 H LEU 46 13.969 20.872 23.485 880 HA LEU 46 HA LEU 46 16.080 20.112 21.521 881 HB2 LEU 46 HB2 LEU 46 13.143 19.371 21.602 882 HB3 LEU 46 HB3 LEU 46 14.332 18.787 20.440 883 HG LEU 46 HG LEU 46 14.217 18.144 23.414 884 HD11 LEU 46 HD11 LEU 46 14.098 16.367 20.936 885 HD12 LEU 46 HD12 LEU 46 13.860 15.877 22.627 886 HD13 LEU 46 HD13 LEU 46 12.676 16.932 21.828 887 HD21 LEU 46 HD21 LEU 46 16.345 17.358 21.354 888 HD22 LEU 46 HD22 LEU 46 16.601 18.322 22.826 889 HD23 LEU 46 HD23 LEU 46 16.155 16.625 22.970 890 H ALA 47 H ALA 47 15.708 20.399 19.284 891 HA ALA 47 HA ALA 47 13.637 22.232 18.316 892 HB1 ALA 47 HB1 ALA 47 16.601 22.695 17.768 893 HB2 ALA 47 HB2 ALA 47 15.259 23.510 16.931 894 HB3 ALA 47 HB3 ALA 47 15.497 23.774 18.660 895 H ILE 48 H ILE 48 13.564 22.097 15.836 896 HA ILE 48 HA ILE 48 13.663 19.271 15.065 897 HB ILE 48 HB ILE 48 12.797 21.733 13.539 898 HG12 ILE 48 HG12 ILE 48 10.900 19.581 14.532 899 HG13 ILE 48 HG13 ILE 48 11.437 20.797 15.669 900 HG21 ILE 48 HG21 ILE 48 13.429 19.990 11.929 901 HG22 ILE 48 HG22 ILE 48 12.529 18.769 12.850 902 HG23 ILE 48 HG23 ILE 48 11.668 20.067 12.010 903 HD11 ILE 48 HD11 ILE 48 10.679 22.613 14.122 904 HD12 ILE 48 HD12 ILE 48 9.998 21.359 13.060 905 HD13 ILE 48 HD13 ILE 48 9.373 21.574 14.703 906 H GLY 49 H GLY 49 15.224 18.271 13.988 907 HA2 GLY 49 HA2 GLY 49 17.641 19.744 13.085 908 HA3 GLY 49 HA3 GLY 49 17.465 18.014 13.374 909 H ARG 50 H ARG 50 15.548 17.091 11.824 910 HA ARG 50 HA ARG 50 15.879 18.107 9.039 911 HB2 ARG 50 HB2 ARG 50 17.560 16.224 9.872 912 HB3 ARG 50 HB3 ARG 50 16.165 15.156 9.668 913 HG2 ARG 50 HG2 ARG 50 15.985 15.973 7.275 914 HG3 ARG 50 HG3 ARG 50 17.421 16.964 7.579 915 HD2 ARG 50 HD2 ARG 50 18.168 15.008 6.468 916 HD3 ARG 50 HD3 ARG 50 18.682 14.858 8.146 917 HE ARG 50 HE ARG 50 16.366 13.448 6.837 918 HH11 ARG 50 HH11 ARG 50 18.656 13.445 9.520 919 HH12 ARG 50 HH12 ARG 50 18.148 11.864 10.044 920 HH21 ARG 50 HH21 ARG 50 15.840 11.483 7.517 921 HH22 ARG 50 HH22 ARG 50 16.612 10.754 8.929 922 H VAL 51 H VAL 51 14.315 17.521 7.573 923 HA VAL 51 HA VAL 51 11.905 16.025 8.514 924 HB VAL 51 HB VAL 51 11.859 18.739 7.143 925 HG11 VAL 51 HG11 VAL 51 9.569 16.924 8.020 926 HG12 VAL 51 HG12 VAL 51 9.385 18.598 7.484 927 HG13 VAL 51 HG13 VAL 51 9.980 17.379 6.355 928 HG21 VAL 51 HG21 VAL 51 12.368 18.927 9.573 929 HG22 VAL 51 HG22 VAL 51 10.831 19.615 9.128 930 HG23 VAL 51 HG23 VAL 51 10.890 18.023 9.941 931 H ASP 52 H ASP 52 12.082 14.287 7.219 932 HA ASP 52 HA ASP 52 12.603 14.627 4.303 933 HB2 ASP 52 HB2 ASP 52 12.339 12.096 5.942 934 HB3 ASP 52 HB3 ASP 52 12.817 12.215 4.253 935 H LEU 53 H LEU 53 10.703 15.222 3.249 936 HA LEU 53 HA LEU 53 8.121 13.977 3.899 937 HB2 LEU 53 HB2 LEU 53 8.906 15.480 1.380 938 HB3 LEU 53 HB3 LEU 53 7.309 15.049 1.919 939 HG LEU 53 HG LEU 53 7.496 17.329 2.204 940 HD11 LEU 53 HD11 LEU 53 7.118 17.675 4.590 941 HD12 LEU 53 HD12 LEU 53 6.393 16.151 4.067 942 HD13 LEU 53 HD13 LEU 53 7.928 16.149 4.970 943 HD21 LEU 53 HD21 LEU 53 9.986 17.123 3.931 944 HD22 LEU 53 HD22 LEU 53 9.987 17.497 2.187 945 HD23 LEU 53 HD23 LEU 53 9.174 18.565 3.320 946 H ARG 54 H ARG 54 10.874 13.354 1.830 947 HA ARG 54 HA ARG 54 9.939 11.430 0.026 948 HB2 ARG 54 HB2 ARG 54 12.224 12.607 0.264 949 HB3 ARG 54 HB3 ARG 54 12.634 11.336 1.426 950 HG2 ARG 54 HG2 ARG 54 12.144 9.649 -0.410 951 HG3 ARG 54 HG3 ARG 54 11.911 10.994 -1.527 952 HD2 ARG 54 HD2 ARG 54 14.445 10.327 0.033 953 HD3 ARG 54 HD3 ARG 54 14.194 9.984 -1.669 954 HE ARG 54 HE ARG 54 14.913 12.557 -0.448 955 HH11 ARG 54 HH11 ARG 54 13.670 11.148 -3.416 956 HH12 ARG 54 HH12 ARG 54 14.223 12.504 -4.368 957 HH21 ARG 54 HH21 ARG 54 15.612 14.112 -1.631 958 HH22 ARG 54 HH22 ARG 54 15.302 14.200 -3.364 959 H SER 55 H SER 55 10.569 10.970 3.439 960 HA SER 55 HA SER 55 9.666 8.116 3.258 961 HB2 SER 55 HB2 SER 55 11.360 7.531 4.913 962 HB3 SER 55 HB3 SER 55 12.125 8.261 3.492 963 HG SER 55 HG SER 55 12.991 9.190 5.353 964 H GLY 56 H GLY 56 9.091 11.128 4.722 965 HA2 GLY 56 HA2 GLY 56 7.509 11.757 6.260 966 HA3 GLY 56 HA3 GLY 56 7.147 10.066 6.634 967 H VAL 57 H VAL 57 10.554 10.712 6.886 968 HA VAL 57 HA VAL 57 10.328 10.451 9.826 969 HB VAL 57 HB VAL 57 12.751 10.310 8.013 970 HG11 VAL 57 HG11 VAL 57 13.471 11.041 10.247 971 HG12 VAL 57 HG12 VAL 57 12.476 9.775 11.002 972 HG13 VAL 57 HG13 VAL 57 13.884 9.337 10.025 973 HG21 VAL 57 HG21 VAL 57 11.175 8.395 7.761 974 HG22 VAL 57 HG22 VAL 57 12.661 7.895 8.560 975 HG23 VAL 57 HG23 VAL 57 11.188 8.153 9.521 976 H ILE 58 H ILE 58 10.536 12.005 11.237 977 HA ILE 58 HA ILE 58 11.995 14.526 10.572 978 HB ILE 58 HB ILE 58 9.690 14.069 12.491 979 HG12 ILE 58 HG12 ILE 58 9.833 15.857 10.038 980 HG13 ILE 58 HG13 ILE 58 9.090 14.259 10.051 981 HG21 ILE 58 HG21 ILE 58 11.282 15.658 13.506 982 HG22 ILE 58 HG22 ILE 58 11.326 16.605 12.001 983 HG23 ILE 58 HG23 ILE 58 9.856 16.518 12.981 984 HD11 ILE 58 HD11 ILE 58 7.501 15.022 11.827 985 HD12 ILE 58 HD12 ILE 58 8.122 16.675 11.600 986 HD13 ILE 58 HD13 ILE 58 7.345 15.840 10.264 987 H SER 59 H SER 59 13.730 15.019 11.839 988 HA SER 59 HA SER 59 14.207 13.369 14.301 989 HB2 SER 59 HB2 SER 59 16.552 13.599 14.001 990 HB3 SER 59 HB3 SER 59 15.857 12.924 12.519 991 HG SER 59 HG SER 59 17.413 14.605 12.159 992 H LEU 60 H LEU 60 14.725 14.325 16.167 993 HA LEU 60 HA LEU 60 14.857 17.321 16.241 994 HB2 LEU 60 HB2 LEU 60 14.198 15.464 18.539 995 HB3 LEU 60 HB3 LEU 60 14.151 17.226 18.526 996 HG LEU 60 HG LEU 60 12.258 15.325 17.083 997 HD11 LEU 60 HD11 LEU 60 11.919 15.626 19.523 998 HD12 LEU 60 HD12 LEU 60 11.820 17.383 19.287 999 HD13 LEU 60 HD13 LEU 60 10.586 16.315 18.591 1000 HD21 LEU 60 HD21 LEU 60 12.333 18.368 17.024 1001 HD22 LEU 60 HD22 LEU 60 12.534 17.276 15.635 1002 HD23 LEU 60 HD23 LEU 60 10.984 17.369 16.457 1003 H ILE 61 H ILE 61 16.350 18.313 17.567 1004 HA ILE 61 HA ILE 61 18.716 16.770 18.494 1005 HB ILE 61 HB ILE 61 20.255 18.337 17.481 1006 HG12 ILE 61 HG12 ILE 61 19.026 19.705 15.440 1007 HG13 ILE 61 HG13 ILE 61 17.798 19.824 16.699 1008 HG21 ILE 61 HG21 ILE 61 20.141 17.596 15.180 1009 HG22 ILE 61 HG22 ILE 61 19.653 16.282 16.264 1010 HG23 ILE 61 HG23 ILE 61 18.418 17.181 15.354 1011 HD11 ILE 61 HD11 ILE 61 19.336 21.751 16.667 1012 HD12 ILE 61 HD12 ILE 61 19.413 20.890 18.211 1013 HD13 ILE 61 HD13 ILE 61 20.706 20.674 17.010 1014 H GLU 62 H GLU 62 20.119 18.012 19.913 1015 HA GLU 62 HA GLU 62 18.566 19.456 21.931 1016 HB2 GLU 62 HB2 GLU 62 21.510 18.728 21.804 1017 HB3 GLU 62 HB3 GLU 62 20.704 19.524 23.172 1018 HG2 GLU 62 HG2 GLU 62 19.129 17.555 23.312 1019 HG3 GLU 62 HG3 GLU 62 20.120 16.734 22.092 1020 H GLU 63 H GLU 63 18.175 21.555 21.873 1021 HA GLU 63 HA GLU 63 19.486 23.292 19.944 1022 HB2 GLU 63 HB2 GLU 63 17.087 23.324 20.358 1023 HB3 GLU 63 HB3 GLU 63 17.340 23.805 22.032 1024 HG2 GLU 63 HG2 GLU 63 16.616 25.662 20.640 1025 HG3 GLU 63 HG3 GLU 63 18.196 25.963 21.338 1026 H GLN 64 H GLN 64 20.860 24.953 20.257 1027 HA GLN 64 HA GLN 64 22.242 25.154 22.889 1028 HB2 GLN 64 HB2 GLN 64 23.323 25.903 20.150 1029 HB3 GLN 64 HB3 GLN 64 24.221 25.822 21.666 1030 HG2 GLN 64 HG2 GLN 64 23.018 23.480 20.124 1031 HG3 GLN 64 HG3 GLN 64 24.717 23.872 20.279 1032 HE21 GLN 64 HE21 GLN 64 22.556 21.651 21.374 1033 HE22 GLN 64 HE22 GLN 64 23.276 21.341 22.950 1034 H ASN 65 H ASN 65 19.886 26.730 21.418 1035 HA ASN 65 HA ASN 65 20.640 29.496 21.518 1036 HB2 ASN 65 HB2 ASN 65 18.761 28.305 20.213 1037 HB3 ASN 65 HB3 ASN 65 17.835 28.307 21.725 1038 HD21 ASN 65 HD21 ASN 65 19.469 30.349 19.336 1039 HD22 ASN 65 HD22 ASN 65 18.357 31.711 19.490 1040 H ARG 66 H ARG 66 19.859 27.311 24.052 1041 HA ARG 66 HA ARG 66 19.208 29.489 26.003 1042 HB2 ARG 66 HB2 ARG 66 18.330 26.594 26.226 1043 HB3 ARG 66 HB3 ARG 66 17.844 27.959 27.223 1044 HG2 ARG 66 HG2 ARG 66 17.006 27.336 24.374 1045 HG3 ARG 66 HG3 ARG 66 16.011 27.383 25.824 1046 HD2 ARG 66 HD2 ARG 66 17.190 29.741 24.319 1047 HD3 ARG 66 HD3 ARG 66 15.514 29.290 24.453 1048 HE ARG 66 HE ARG 66 15.596 29.869 26.855 1049 HH11 ARG 66 HH11 ARG 66 18.212 31.265 24.918 1050 HH12 ARG 66 HH12 ARG 66 18.349 32.627 25.996 1051 HH21 ARG 66 HH21 ARG 66 15.934 31.578 28.183 1052 HH22 ARG 66 HH22 ARG 66 17.119 32.784 27.785 Start of MODEL 8 1 H1 GLY -3 H1 GLY -3 -0.417 6.688 -9.503 2 H2 GLY -3 H2 GLY -3 -1.076 5.340 -10.154 3 H3 GLY -3 H3 GLY -3 -0.373 6.453 -11.121 4 HA2 GLY -3 HA2 GLY -3 1.082 4.556 -10.878 5 HA3 GLY -3 HA3 GLY -3 1.793 6.015 -10.164 6 HA PRO -2 HA PRO -2 2.130 2.635 -7.046 7 HB2 PRO -2 HB2 PRO -2 4.594 4.286 -6.447 8 HB3 PRO -2 HB3 PRO -2 4.400 2.499 -6.438 9 HG2 PRO -2 HG2 PRO -2 5.576 3.698 -8.536 10 HG3 PRO -2 HG3 PRO -2 4.336 2.428 -8.826 11 HD2 PRO -2 HD2 PRO -2 3.977 5.444 -8.891 12 HD3 PRO -2 HD3 PRO -2 3.447 4.225 -10.096 13 H GLY -1 H GLY -1 2.172 2.628 -4.723 14 HA2 GLY -1 HA2 GLY -1 0.781 4.871 -3.457 15 HA3 GLY -1 HA3 GLY -1 1.203 3.324 -2.734 16 H SER 0 H SER 0 1.574 4.950 -0.946 17 HA SER 0 HA SER 0 2.918 6.003 0.540 18 HB2 SER 0 HB2 SER 0 4.218 3.891 0.127 19 HB3 SER 0 HB3 SER 0 5.281 4.814 -0.940 20 HG SER 0 HG SER 0 5.991 4.624 1.285 21 H MET 1 H MET 1 5.368 7.225 0.416 22 HA MET 1 HA MET 1 6.350 9.206 0.190 23 HB2 MET 1 HB2 MET 1 5.190 9.349 -2.605 24 HB3 MET 1 HB3 MET 1 6.504 10.318 -1.961 25 HG2 MET 1 HG2 MET 1 7.858 8.263 -1.622 26 HG3 MET 1 HG3 MET 1 6.548 7.296 -2.289 27 HE1 MET 1 HE1 MET 1 7.855 10.882 -3.715 28 HE2 MET 1 HE2 MET 1 9.276 10.046 -3.045 29 HE3 MET 1 HE3 MET 1 9.119 10.276 -4.792 30 H CYS 2 H CYS 2 6.210 11.453 0.257 31 HA CYS 2 HA CYS 2 3.745 12.878 -0.298 32 HB2 CYS 2 HB2 CYS 2 3.431 12.114 2.071 33 HB3 CYS 2 HB3 CYS 2 4.927 12.927 2.509 34 H MET 3 H MET 3 4.191 15.287 -0.143 35 HA MET 3 HA MET 3 6.972 16.152 0.114 36 HB2 MET 3 HB2 MET 3 7.168 17.229 -2.017 37 HB3 MET 3 HB3 MET 3 6.912 15.513 -2.264 38 HG2 MET 3 HG2 MET 3 4.524 15.969 -2.797 39 HG3 MET 3 HG3 MET 3 4.797 17.698 -2.521 40 HE1 MET 3 HE1 MET 3 4.261 17.576 -6.370 41 HE2 MET 3 HE2 MET 3 3.417 16.650 -5.114 42 HE3 MET 3 HE3 MET 3 3.799 18.364 -4.845 43 H ALA 4 H ALA 4 7.170 18.469 0.210 44 HA ALA 4 HA ALA 4 4.677 19.842 1.155 45 HB1 ALA 4 HB1 ALA 4 5.973 18.817 3.012 46 HB2 ALA 4 HB2 ALA 4 7.414 19.722 2.508 47 HB3 ALA 4 HB3 ALA 4 5.985 20.578 3.120 48 H LYS 5 H LYS 5 5.371 22.218 1.778 49 HA LYS 5 HA LYS 5 7.376 23.324 -0.127 50 HB2 LYS 5 HB2 LYS 5 6.047 25.333 -0.471 51 HB3 LYS 5 HB3 LYS 5 5.237 23.902 -1.089 52 HG2 LYS 5 HG2 LYS 5 3.784 23.832 0.902 53 HG3 LYS 5 HG3 LYS 5 4.589 25.256 1.569 54 HD2 LYS 5 HD2 LYS 5 3.095 25.199 -1.097 55 HD3 LYS 5 HD3 LYS 5 2.380 25.691 0.451 56 HE2 LYS 5 HE2 LYS 5 4.013 27.518 0.697 57 HE3 LYS 5 HE3 LYS 5 4.812 27.035 -0.799 58 HZ1 LYS 5 HZ1 LYS 5 2.030 28.048 -0.595 59 HZ2 LYS 5 HZ2 LYS 5 3.320 28.852 -1.205 60 HZ3 LYS 5 HZ3 LYS 5 2.730 27.543 -1.981 61 H VAL 6 H VAL 6 8.693 24.893 0.594 62 HA VAL 6 HA VAL 6 8.749 25.344 3.553 63 HB VAL 6 HB VAL 6 10.882 25.527 1.424 64 HG11 VAL 6 HG11 VAL 6 12.455 26.246 3.238 65 HG12 VAL 6 HG12 VAL 6 11.298 27.508 2.802 66 HG13 VAL 6 HG13 VAL 6 11.056 26.550 4.288 67 HG21 VAL 6 HG21 VAL 6 12.000 23.868 2.806 68 HG22 VAL 6 HG22 VAL 6 10.817 24.079 4.103 69 HG23 VAL 6 HG23 VAL 6 10.328 23.327 2.577 70 H VAL 7 H VAL 7 8.657 27.376 4.433 71 HA VAL 7 HA VAL 7 8.532 29.728 2.634 72 HB VAL 7 HB VAL 7 6.251 29.094 3.004 73 HG11 VAL 7 HG11 VAL 7 5.149 29.236 5.186 74 HG12 VAL 7 HG12 VAL 7 6.397 27.985 5.200 75 HG13 VAL 7 HG13 VAL 7 6.704 29.549 5.987 76 HG21 VAL 7 HG21 VAL 7 5.380 31.224 3.690 77 HG22 VAL 7 HG22 VAL 7 6.865 31.631 4.574 78 HG23 VAL 7 HG23 VAL 7 6.895 31.503 2.804 79 H LEU 8 H LEU 8 9.452 31.525 3.297 80 HA LEU 8 HA LEU 8 10.226 32.052 6.070 81 HB2 LEU 8 HB2 LEU 8 12.593 32.212 5.658 82 HB3 LEU 8 HB3 LEU 8 12.038 30.611 5.226 83 HG LEU 8 HG LEU 8 11.874 31.831 2.766 84 HD11 LEU 8 HD11 LEU 8 12.875 33.969 3.546 85 HD12 LEU 8 HD12 LEU 8 14.286 33.080 4.163 86 HD13 LEU 8 HD13 LEU 8 13.945 33.135 2.417 87 HD21 LEU 8 HD21 LEU 8 14.382 30.571 3.953 88 HD22 LEU 8 HD22 LEU 8 12.994 29.702 3.245 89 HD23 LEU 8 HD23 LEU 8 13.991 30.733 2.230 90 H THR 9 H THR 9 11.269 34.284 6.214 91 HA THR 9 HA THR 9 10.406 36.094 3.996 92 HB THR 9 HB THR 9 9.825 36.693 6.923 93 HG1 THR 9 HG1 THR 9 8.467 35.082 6.243 94 HG21 THR 9 HG21 THR 9 8.407 38.474 5.984 95 HG22 THR 9 HG22 THR 9 10.079 38.711 5.484 96 HG23 THR 9 HG23 THR 9 8.891 38.036 4.338 97 H LYS 10 H LYS 10 11.794 37.589 3.439 98 HA LYS 10 HA LYS 10 14.459 37.721 4.620 99 HB2 LYS 10 HB2 LYS 10 13.111 39.320 2.391 100 HB3 LYS 10 HB3 LYS 10 14.825 39.412 2.809 101 HG2 LYS 10 HG2 LYS 10 15.119 37.013 2.259 102 HG3 LYS 10 HG3 LYS 10 13.402 36.877 1.894 103 HD2 LYS 10 HD2 LYS 10 14.600 37.067 -0.193 104 HD3 LYS 10 HD3 LYS 10 13.619 38.508 0.061 105 HE2 LYS 10 HE2 LYS 10 15.725 39.209 -0.835 106 HE3 LYS 10 HE3 LYS 10 15.654 39.742 0.839 107 HZ1 LYS 10 HZ1 LYS 10 17.057 37.820 1.426 108 HZ2 LYS 10 HZ2 LYS 10 17.089 37.321 -0.130 109 HZ3 LYS 10 HZ3 LYS 10 17.798 38.731 0.292 110 H ALA 11 H ALA 11 15.540 39.698 5.159 111 HA ALA 11 HA ALA 11 14.228 41.341 7.133 112 HB1 ALA 11 HB1 ALA 11 16.391 42.525 7.181 113 HB2 ALA 11 HB2 ALA 11 16.623 40.773 7.193 114 HB3 ALA 11 HB3 ALA 11 16.900 41.698 5.695 115 H ASP 12 H ASP 12 14.598 41.670 3.654 116 HA ASP 12 HA ASP 12 13.872 44.470 3.466 117 HB2 ASP 12 HB2 ASP 12 15.144 43.010 1.794 118 HB3 ASP 12 HB3 ASP 12 13.586 42.289 1.359 119 H GLY 13 H GLY 13 12.030 41.893 4.533 120 HA2 GLY 13 HA2 GLY 13 9.778 41.803 5.079 121 HA3 GLY 13 HA3 GLY 13 9.452 43.225 4.083 122 H GLY 14 H GLY 14 11.255 40.965 2.306 123 HA2 GLY 14 HA2 GLY 14 8.958 40.273 0.582 124 HA3 GLY 14 HA3 GLY 14 10.670 39.979 0.279 125 H ARG 15 H ARG 15 7.799 38.435 0.936 126 HA ARG 15 HA ARG 15 8.863 36.163 2.459 127 HB2 ARG 15 HB2 ARG 15 6.443 36.969 2.447 128 HB3 ARG 15 HB3 ARG 15 6.286 36.206 0.865 129 HG2 ARG 15 HG2 ARG 15 6.941 34.011 1.886 130 HG3 ARG 15 HG3 ARG 15 7.181 34.817 3.439 131 HD2 ARG 15 HD2 ARG 15 5.067 33.760 3.553 132 HD3 ARG 15 HD3 ARG 15 4.774 35.493 3.426 133 HE ARG 15 HE ARG 15 4.570 33.521 1.135 134 HH11 ARG 15 HH11 ARG 15 3.197 36.414 2.614 135 HH12 ARG 15 HH12 ARG 15 1.984 36.527 1.370 136 HH21 ARG 15 HH21 ARG 15 3.110 33.697 -0.278 137 HH22 ARG 15 HH22 ARG 15 1.916 35.006 -0.284 138 H VAL 16 H VAL 16 9.490 34.222 1.742 139 HA VAL 16 HA VAL 16 9.928 33.770 -1.189 140 HB VAL 16 HB VAL 16 11.885 33.403 1.091 141 HG11 VAL 16 HG11 VAL 16 12.182 32.563 -1.824 142 HG12 VAL 16 HG12 VAL 16 13.486 32.581 -0.620 143 HG13 VAL 16 HG13 VAL 16 12.134 31.475 -0.415 144 HG21 VAL 16 HG21 VAL 16 11.827 35.691 0.272 145 HG22 VAL 16 HG22 VAL 16 13.315 34.907 -0.250 146 HG23 VAL 16 HG23 VAL 16 11.987 35.132 -1.409 147 H GLU 17 H GLU 17 9.487 31.762 -1.881 148 HA GLU 17 HA GLU 17 8.774 29.627 0.061 149 HB2 GLU 17 HB2 GLU 17 7.042 30.646 -2.226 150 HB3 GLU 17 HB3 GLU 17 6.731 29.158 -1.315 151 HG2 GLU 17 HG2 GLU 17 6.354 30.401 0.735 152 HG3 GLU 17 HG3 GLU 17 6.836 31.930 -0.030 153 H ILE 18 H ILE 18 8.991 27.534 -0.663 154 HA ILE 18 HA ILE 18 10.096 27.051 -3.406 155 HB ILE 18 HB ILE 18 11.137 25.827 -0.832 156 HG12 ILE 18 HG12 ILE 18 12.697 27.644 -2.710 157 HG13 ILE 18 HG13 ILE 18 11.890 28.239 -1.255 158 HG21 ILE 18 HG21 ILE 18 11.215 24.250 -2.775 159 HG22 ILE 18 HG22 ILE 18 12.098 25.465 -3.711 160 HG23 ILE 18 HG23 ILE 18 12.832 24.714 -2.271 161 HD11 ILE 18 HD11 ILE 18 13.205 26.736 0.169 162 HD12 ILE 18 HD12 ILE 18 14.132 26.199 -1.258 163 HD13 ILE 18 HD13 ILE 18 14.173 27.896 -0.747 164 H GLY 19 H GLY 19 8.891 25.601 -4.452 165 HA2 GLY 19 HA2 GLY 19 6.900 23.944 -3.005 166 HA3 GLY 19 HA3 GLY 19 6.962 24.248 -4.738 167 H ASP 20 H ASP 20 6.470 21.756 -3.825 168 HA ASP 20 HA ASP 20 7.003 19.586 -3.921 169 HB2 ASP 20 HB2 ASP 20 8.941 20.244 -6.127 170 HB3 ASP 20 HB3 ASP 20 7.978 18.801 -5.912 171 H VAL 21 H VAL 21 8.365 20.759 -1.839 172 HA VAL 21 HA VAL 21 11.168 19.993 -1.756 173 HB VAL 21 HB VAL 21 9.276 20.901 0.436 174 HG11 VAL 21 HG11 VAL 21 11.353 21.338 1.705 175 HG12 VAL 21 HG12 VAL 21 11.070 19.613 1.456 176 HG13 VAL 21 HG13 VAL 21 12.289 20.454 0.472 177 HG21 VAL 21 HG21 VAL 21 10.541 23.031 0.228 178 HG22 VAL 21 HG22 VAL 21 11.468 22.339 -1.121 179 HG23 VAL 21 HG23 VAL 21 9.718 22.620 -1.276 180 H LEU 22 H LEU 22 12.028 18.115 -1.255 181 HA LEU 22 HA LEU 22 10.258 15.926 -0.305 182 HB2 LEU 22 HB2 LEU 22 11.380 15.954 -2.648 183 HB3 LEU 22 HB3 LEU 22 12.877 15.609 -1.783 184 HG LEU 22 HG LEU 22 11.627 13.587 -0.769 185 HD11 LEU 22 HD11 LEU 22 9.322 14.214 -1.203 186 HD12 LEU 22 HD12 LEU 22 9.634 14.329 -2.949 187 HD13 LEU 22 HD13 LEU 22 9.688 12.758 -2.133 188 HD21 LEU 22 HD21 LEU 22 13.270 13.365 -2.597 189 HD22 LEU 22 HD22 LEU 22 11.962 12.189 -2.737 190 HD23 LEU 22 HD23 LEU 22 11.972 13.624 -3.782 191 H GLU 23 H GLU 23 13.163 17.714 0.499 192 HA GLU 23 HA GLU 23 12.995 16.578 3.167 193 HB2 GLU 23 HB2 GLU 23 15.322 15.932 3.403 194 HB3 GLU 23 HB3 GLU 23 14.512 14.948 2.187 195 HG2 GLU 23 HG2 GLU 23 15.528 16.380 0.397 196 HG3 GLU 23 HG3 GLU 23 16.433 17.239 1.645 197 H VAL 24 H VAL 24 13.867 17.807 4.786 198 HA VAL 24 HA VAL 24 15.283 20.354 4.150 199 HB VAL 24 HB VAL 24 12.931 20.204 6.065 200 HG11 VAL 24 HG11 VAL 24 14.617 21.862 6.774 201 HG12 VAL 24 HG12 VAL 24 14.621 22.569 5.154 202 HG13 VAL 24 HG13 VAL 24 13.172 22.668 6.169 203 HG21 VAL 24 HG21 VAL 24 11.834 21.755 4.469 204 HG22 VAL 24 HG22 VAL 24 13.170 21.493 3.325 205 HG23 VAL 24 HG23 VAL 24 12.085 20.149 3.793 206 H ARG 25 H ARG 25 16.850 20.898 5.596 207 HA ARG 25 HA ARG 25 17.279 19.166 8.006 208 HB2 ARG 25 HB2 ARG 25 19.429 19.685 5.910 209 HB3 ARG 25 HB3 ARG 25 19.556 18.736 7.388 210 HG2 ARG 25 HG2 ARG 25 19.274 17.013 5.942 211 HG3 ARG 25 HG3 ARG 25 17.590 17.329 6.310 212 HD2 ARG 25 HD2 ARG 25 17.714 17.021 3.974 213 HD3 ARG 25 HD3 ARG 25 17.492 18.763 4.204 214 HE ARG 25 HE ARG 25 20.279 17.812 3.993 215 HH11 ARG 25 HH11 ARG 25 17.630 19.242 2.215 216 HH12 ARG 25 HH12 ARG 25 18.640 19.555 0.830 217 HH21 ARG 25 HH21 ARG 25 21.507 18.402 2.270 218 HH22 ARG 25 HH22 ARG 25 20.844 19.418 1.017 219 H ALA 26 H ALA 26 18.222 20.082 9.701 220 HA ALA 26 HA ALA 26 18.957 22.972 9.551 221 HB1 ALA 26 HB1 ALA 26 17.276 22.344 11.231 222 HB2 ALA 26 HB2 ALA 26 18.404 21.174 11.946 223 HB3 ALA 26 HB3 ALA 26 18.779 22.911 11.986 224 H GLU 27 H GLU 27 20.994 23.484 9.370 225 HA GLU 27 HA GLU 27 23.251 21.701 10.204 226 HB2 GLU 27 HB2 GLU 27 23.141 24.315 8.665 227 HB3 GLU 27 HB3 GLU 27 24.633 23.481 9.046 228 HG2 GLU 27 HG2 GLU 27 22.424 22.235 7.352 229 HG3 GLU 27 HG3 GLU 27 23.704 23.247 6.702 230 H GLY 28 H GLY 28 25.121 23.209 11.137 231 HA2 GLY 28 HA2 GLY 28 24.306 24.335 13.673 232 HA3 GLY 28 HA3 GLY 28 25.925 24.379 12.967 233 H GLY 29 H GLY 29 22.725 25.916 12.833 234 HA2 GLY 29 HA2 GLY 29 22.255 28.225 12.974 235 HA3 GLY 29 HA3 GLY 29 23.930 28.620 12.592 236 H ALA 30 H ALA 30 22.087 26.376 10.591 237 HA ALA 30 HA ALA 30 21.219 28.390 8.660 238 HB1 ALA 30 HB1 ALA 30 23.593 28.072 8.019 239 HB2 ALA 30 HB2 ALA 30 23.319 26.331 7.850 240 HB3 ALA 30 HB3 ALA 30 22.491 27.465 6.772 241 H VAL 31 H VAL 31 19.825 27.446 6.977 242 HA VAL 31 HA VAL 31 18.899 24.612 7.488 243 HB VAL 31 HB VAL 31 17.240 26.961 6.528 244 HG11 VAL 31 HG11 VAL 31 16.521 24.004 6.790 245 HG12 VAL 31 HG12 VAL 31 15.342 25.311 6.599 246 HG13 VAL 31 HG13 VAL 31 16.485 24.996 5.304 247 HG21 VAL 31 HG21 VAL 31 15.948 26.568 8.568 248 HG22 VAL 31 HG22 VAL 31 16.979 25.179 8.998 249 HG23 VAL 31 HG23 VAL 31 17.647 26.814 8.986 250 H ARG 32 H ARG 32 18.670 23.244 5.832 251 HA ARG 32 HA ARG 32 19.295 24.155 3.036 252 HB2 ARG 32 HB2 ARG 32 20.146 21.586 4.413 253 HB3 ARG 32 HB3 ARG 32 20.238 21.865 2.672 254 HG2 ARG 32 HG2 ARG 32 21.838 23.681 2.968 255 HG3 ARG 32 HG3 ARG 32 21.620 23.650 4.718 256 HD2 ARG 32 HD2 ARG 32 23.679 22.551 4.243 257 HD3 ARG 32 HD3 ARG 32 22.520 21.350 4.802 258 HE ARG 32 HE ARG 32 22.425 21.399 1.944 259 HH11 ARG 32 HH11 ARG 32 24.649 20.376 4.493 260 HH12 ARG 32 HH12 ARG 32 25.446 19.244 3.416 261 HH21 ARG 32 HH21 ARG 32 23.376 19.963 0.725 262 HH22 ARG 32 HH22 ARG 32 24.740 18.999 1.307 263 H VAL 33 H VAL 33 18.047 23.403 1.449 264 HA VAL 33 HA VAL 33 15.639 21.727 2.055 265 HB VAL 33 HB VAL 33 15.733 24.370 0.536 266 HG11 VAL 33 HG11 VAL 33 13.261 24.188 0.474 267 HG12 VAL 33 HG12 VAL 33 14.041 22.896 -0.446 268 HG13 VAL 33 HG13 VAL 33 13.383 22.555 1.165 269 HG21 VAL 33 HG21 VAL 33 15.863 24.802 2.941 270 HG22 VAL 33 HG22 VAL 33 14.299 25.282 2.300 271 HG23 VAL 33 HG23 VAL 33 14.442 23.765 3.213 272 H THR 34 H THR 34 15.237 20.204 0.489 273 HA THR 34 HA THR 34 16.410 20.616 -2.225 274 HB THR 34 HB THR 34 16.734 18.121 -0.557 275 HG1 THR 34 HG1 THR 34 18.644 19.792 -1.829 276 HG21 THR 34 HG21 THR 34 16.367 17.377 -2.844 277 HG22 THR 34 HG22 THR 34 17.471 18.616 -3.474 278 HG23 THR 34 HG23 THR 34 18.085 17.269 -2.484 279 H THR 35 H THR 35 15.193 20.111 -3.894 280 HA THR 35 HA THR 35 12.392 19.398 -3.385 281 HB THR 35 HB THR 35 11.915 20.104 -5.584 282 HG1 THR 35 HG1 THR 35 13.535 20.673 -7.022 283 HG21 THR 35 HG21 THR 35 14.054 22.026 -4.584 284 HG22 THR 35 HG22 THR 35 12.675 22.380 -5.637 285 HG23 THR 35 HG23 THR 35 12.394 21.927 -3.949 286 H LEU 36 H LEU 36 11.200 17.977 -4.771 287 HA LEU 36 HA LEU 36 12.088 15.337 -5.128 288 HB2 LEU 36 HB2 LEU 36 9.785 16.070 -4.901 289 HB3 LEU 36 HB3 LEU 36 9.887 17.030 -6.376 290 HG LEU 36 HG LEU 36 9.986 15.008 -7.752 291 HD11 LEU 36 HD11 LEU 36 9.716 13.469 -5.132 292 HD12 LEU 36 HD12 LEU 36 9.608 12.787 -6.772 293 HD13 LEU 36 HD13 LEU 36 11.137 13.455 -6.199 294 HD21 LEU 36 HD21 LEU 36 7.710 14.203 -7.305 295 HD22 LEU 36 HD22 LEU 36 7.781 14.884 -5.654 296 HD23 LEU 36 HD23 LEU 36 7.787 15.968 -7.064 297 H PHE 37 H PHE 37 12.752 18.103 -7.102 298 HA PHE 37 HA PHE 37 13.648 16.427 -9.400 299 HB2 PHE 37 HB2 PHE 37 12.884 19.357 -9.387 300 HB3 PHE 37 HB3 PHE 37 13.311 18.384 -10.788 301 HD1 PHE 37 HD1 PHE 37 11.862 16.282 -11.298 302 HD2 PHE 37 HD2 PHE 37 10.612 19.399 -8.586 303 HE1 PHE 37 HE1 PHE 37 9.539 15.404 -11.364 304 HE2 PHE 37 HE2 PHE 37 8.287 18.509 -8.647 305 HZ PHE 37 HZ PHE 37 7.754 16.519 -10.032 306 H ASP 38 H ASP 38 15.090 16.995 -6.843 307 HA ASP 38 HA ASP 38 17.192 17.152 -6.158 308 HB2 ASP 38 HB2 ASP 38 18.034 16.833 -9.042 309 HB3 ASP 38 HB3 ASP 38 18.993 16.481 -7.607 310 H GLU 39 H GLU 39 15.917 19.792 -7.066 311 HA GLU 39 HA GLU 39 18.313 21.513 -7.360 312 HB2 GLU 39 HB2 GLU 39 15.402 22.240 -6.836 313 HB3 GLU 39 HB3 GLU 39 16.719 23.375 -7.092 314 HG2 GLU 39 HG2 GLU 39 15.630 21.374 -9.113 315 HG3 GLU 39 HG3 GLU 39 15.378 23.109 -9.110 316 H GLU 40 H GLU 40 19.394 22.421 -5.666 317 HA GLU 40 HA GLU 40 18.306 22.047 -2.906 318 HB2 GLU 40 HB2 GLU 40 20.242 20.640 -3.314 319 HB3 GLU 40 HB3 GLU 40 21.208 22.064 -3.769 320 HG2 GLU 40 HG2 GLU 40 21.081 22.970 -1.537 321 HG3 GLU 40 HG3 GLU 40 19.848 21.800 -1.059 322 H HIS 41 H HIS 41 18.285 23.660 -1.509 323 HA HIS 41 HA HIS 41 19.361 26.346 -2.223 324 HB2 HIS 41 HB2 HIS 41 16.656 25.868 -0.928 325 HB3 HIS 41 HB3 HIS 41 17.320 27.395 -1.486 326 HD2 HIS 41 HD2 HIS 41 15.499 24.256 -2.666 327 HE1 HIS 41 HE1 HIS 41 15.793 26.756 -6.112 328 HE2 HIS 41 HE2 HIS 41 14.745 24.636 -5.163 329 H ALA 42 H ALA 42 20.058 27.579 -0.443 330 HA ALA 42 HA ALA 42 19.886 26.348 2.252 331 HB1 ALA 42 HB1 ALA 42 22.494 27.184 0.921 332 HB2 ALA 42 HB2 ALA 42 22.294 26.606 2.589 333 HB3 ALA 42 HB3 ALA 42 21.961 25.517 1.234 334 H PHE 43 H PHE 43 19.959 27.696 3.956 335 HA PHE 43 HA PHE 43 19.964 30.655 3.526 336 HB2 PHE 43 HB2 PHE 43 17.807 29.032 4.896 337 HB3 PHE 43 HB3 PHE 43 17.885 30.798 4.763 338 HD1 PHE 43 HD1 PHE 43 17.691 31.891 2.486 339 HD2 PHE 43 HD2 PHE 43 16.973 27.684 3.096 340 HE1 PHE 43 HE1 PHE 43 16.589 31.764 0.259 341 HE2 PHE 43 HE2 PHE 43 15.863 27.549 0.883 342 HZ PHE 43 HZ PHE 43 15.685 29.601 -0.552 343 HA PRO 44 HA PRO 44 22.414 29.881 7.333 344 HB2 PRO 44 HB2 PRO 44 23.523 32.506 6.474 345 HB3 PRO 44 HB3 PRO 44 24.387 31.073 7.120 346 HG2 PRO 44 HG2 PRO 44 24.485 31.609 4.462 347 HG3 PRO 44 HG3 PRO 44 24.222 29.928 5.028 348 HD2 PRO 44 HD2 PRO 44 22.127 31.939 4.116 349 HD3 PRO 44 HD3 PRO 44 22.351 30.234 3.612 350 H GLY 45 H GLY 45 22.137 30.730 9.331 351 HA2 GLY 45 HA2 GLY 45 21.466 32.145 11.037 352 HA3 GLY 45 HA3 GLY 45 20.920 33.348 9.865 353 H LEU 46 H LEU 46 19.545 30.366 9.057 354 HA LEU 46 HA LEU 46 17.077 30.903 10.646 355 HB2 LEU 46 HB2 LEU 46 17.343 29.334 8.066 356 HB3 LEU 46 HB3 LEU 46 15.855 29.639 8.954 357 HG LEU 46 HG LEU 46 17.540 31.681 7.457 358 HD11 LEU 46 HD11 LEU 46 14.643 30.794 7.103 359 HD12 LEU 46 HD12 LEU 46 15.571 31.891 6.048 360 HD13 LEU 46 HD13 LEU 46 16.003 30.168 6.158 361 HD21 LEU 46 HD21 LEU 46 16.644 32.820 9.447 362 HD22 LEU 46 HD22 LEU 46 15.725 33.313 8.015 363 HD23 LEU 46 HD23 LEU 46 15.037 32.123 9.150 364 H ALA 47 H ALA 47 15.813 29.073 11.253 365 HA ALA 47 HA ALA 47 17.059 26.402 11.371 366 HB1 ALA 47 HB1 ALA 47 16.320 26.117 13.724 367 HB2 ALA 47 HB2 ALA 47 17.587 27.342 13.559 368 HB3 ALA 47 HB3 ALA 47 15.898 27.841 13.795 369 H ILE 48 H ILE 48 15.407 24.710 11.736 370 HA ILE 48 HA ILE 48 12.918 25.240 10.300 371 HB ILE 48 HB ILE 48 13.763 22.752 11.808 372 HG12 ILE 48 HG12 ILE 48 14.003 23.313 8.818 373 HG13 ILE 48 HG13 ILE 48 15.356 23.380 9.956 374 HG21 ILE 48 HG21 ILE 48 12.026 21.648 10.379 375 HG22 ILE 48 HG22 ILE 48 11.330 22.865 11.434 376 HG23 ILE 48 HG23 ILE 48 11.581 23.235 9.717 377 HD11 ILE 48 HD11 ILE 48 13.783 20.915 9.149 378 HD12 ILE 48 HD12 ILE 48 15.498 21.270 8.892 379 HD13 ILE 48 HD13 ILE 48 14.906 20.953 10.531 380 H GLY 49 H GLY 49 11.207 26.186 11.214 381 HA2 GLY 49 HA2 GLY 49 10.970 26.392 14.167 382 HA3 GLY 49 HA3 GLY 49 10.128 27.347 12.952 383 H ARG 50 H ARG 50 8.938 25.421 11.359 384 HA ARG 50 HA ARG 50 7.299 23.679 13.132 385 HB2 ARG 50 HB2 ARG 50 5.982 25.559 11.156 386 HB3 ARG 50 HB3 ARG 50 5.191 24.487 12.292 387 HG2 ARG 50 HG2 ARG 50 6.086 25.871 14.193 388 HG3 ARG 50 HG3 ARG 50 6.785 26.998 13.018 389 HD2 ARG 50 HD2 ARG 50 3.821 26.351 13.287 390 HD3 ARG 50 HD3 ARG 50 4.637 27.791 13.912 391 HE ARG 50 HE ARG 50 5.059 27.439 11.048 392 HH11 ARG 50 HH11 ARG 50 2.723 28.767 13.302 393 HH12 ARG 50 HH12 ARG 50 2.082 29.855 12.098 394 HH21 ARG 50 HH21 ARG 50 4.225 28.761 9.614 395 HH22 ARG 50 HH22 ARG 50 2.877 29.815 10.018 396 H VAL 51 H VAL 51 6.321 21.992 12.146 397 HA VAL 51 HA VAL 51 6.572 21.567 9.200 398 HB VAL 51 HB VAL 51 7.132 19.456 11.329 399 HG11 VAL 51 HG11 VAL 51 7.776 18.049 9.366 400 HG12 VAL 51 HG12 VAL 51 6.066 18.459 9.374 401 HG13 VAL 51 HG13 VAL 51 7.180 19.309 8.277 402 HG21 VAL 51 HG21 VAL 51 9.412 19.382 10.476 403 HG22 VAL 51 HG22 VAL 51 9.078 20.715 9.348 404 HG23 VAL 51 HG23 VAL 51 9.069 20.987 11.102 405 H ASP 52 H ASP 52 4.588 21.200 8.386 406 HA ASP 52 HA ASP 52 2.446 20.028 10.128 407 HB2 ASP 52 HB2 ASP 52 2.411 22.486 10.169 408 HB3 ASP 52 HB3 ASP 52 2.308 22.530 8.409 409 H LEU 53 H LEU 53 2.130 18.114 9.238 410 HA LEU 53 HA LEU 53 2.464 17.610 6.380 411 HB2 LEU 53 HB2 LEU 53 1.460 15.775 8.588 412 HB3 LEU 53 HB3 LEU 53 1.962 15.311 6.980 413 HG LEU 53 HG LEU 53 3.684 14.619 8.300 414 HD11 LEU 53 HD11 LEU 53 4.513 15.871 6.355 415 HD12 LEU 53 HD12 LEU 53 4.673 17.331 7.368 416 HD13 LEU 53 HD13 LEU 53 5.650 15.890 7.717 417 HD21 LEU 53 HD21 LEU 53 3.882 17.253 9.793 418 HD22 LEU 53 HD22 LEU 53 3.079 15.772 10.385 419 HD23 LEU 53 HD23 LEU 53 4.809 15.772 10.059 420 H ARG 54 H ARG 54 -0.205 18.386 8.447 421 HA ARG 54 HA ARG 54 -2.349 17.492 6.654 422 HB2 ARG 54 HB2 ARG 54 -2.974 17.503 8.818 423 HB3 ARG 54 HB3 ARG 54 -2.094 18.940 9.262 424 HG2 ARG 54 HG2 ARG 54 -4.639 18.999 7.583 425 HG3 ARG 54 HG3 ARG 54 -4.631 19.009 9.337 426 HD2 ARG 54 HD2 ARG 54 -3.649 21.192 7.496 427 HD3 ARG 54 HD3 ARG 54 -4.925 21.256 8.686 428 HE ARG 54 HE ARG 54 -2.009 21.442 9.163 429 HH11 ARG 54 HH11 ARG 54 -5.045 20.936 10.885 430 HH12 ARG 54 HH12 ARG 54 -4.316 21.426 12.394 431 HH21 ARG 54 HH21 ARG 54 -1.291 22.230 10.972 432 HH22 ARG 54 HH22 ARG 54 -2.118 21.892 12.489 433 H SER 55 H SER 55 -0.691 20.549 7.273 434 HA SER 55 HA SER 55 -2.125 21.955 5.129 435 HB2 SER 55 HB2 SER 55 -1.280 23.031 7.217 436 HB3 SER 55 HB3 SER 55 0.377 22.750 6.650 437 HG SER 55 HG SER 55 -0.552 24.875 6.159 438 H GLY 56 H GLY 56 0.931 20.210 5.440 439 HA2 GLY 56 HA2 GLY 56 2.361 19.386 3.794 440 HA3 GLY 56 HA3 GLY 56 1.472 20.262 2.542 441 H VAL 57 H VAL 57 2.774 21.704 5.542 442 HA VAL 57 HA VAL 57 4.575 23.445 3.890 443 HB VAL 57 HB VAL 57 2.579 24.373 5.979 444 HG11 VAL 57 HG11 VAL 57 4.589 25.783 6.124 445 HG12 VAL 57 HG12 VAL 57 4.612 25.982 4.361 446 HG13 VAL 57 HG13 VAL 57 3.304 26.683 5.324 447 HG21 VAL 57 HG21 VAL 57 1.523 23.908 3.783 448 HG22 VAL 57 HG22 VAL 57 1.574 25.643 4.104 449 HG23 VAL 57 HG23 VAL 57 2.742 24.911 2.984 450 H ILE 58 H ILE 58 6.423 24.121 4.750 451 HA ILE 58 HA ILE 58 7.112 23.448 7.587 452 HB ILE 58 HB ILE 58 8.850 23.264 5.111 453 HG12 ILE 58 HG12 ILE 58 8.069 21.157 7.185 454 HG13 ILE 58 HG13 ILE 58 7.317 21.328 5.593 455 HG21 ILE 58 HG21 ILE 58 9.658 22.944 8.046 456 HG22 ILE 58 HG22 ILE 58 10.711 22.638 6.645 457 HG23 ILE 58 HG23 ILE 58 10.159 24.267 6.960 458 HD11 ILE 58 HD11 ILE 58 10.190 20.516 6.112 459 HD12 ILE 58 HD12 ILE 58 8.874 19.543 5.449 460 HD13 ILE 58 HD13 ILE 58 9.511 20.894 4.507 461 H SER 59 H SER 59 7.498 25.170 8.772 462 HA SER 59 HA SER 59 7.938 27.844 7.476 463 HB2 SER 59 HB2 SER 59 7.172 27.236 10.349 464 HB3 SER 59 HB3 SER 59 7.242 28.819 9.573 465 HG SER 59 HG SER 59 5.559 26.721 8.653 466 H LEU 60 H LEU 60 9.901 28.784 7.627 467 HA LEU 60 HA LEU 60 11.866 27.746 9.618 468 HB2 LEU 60 HB2 LEU 60 12.394 29.621 7.318 469 HB3 LEU 60 HB3 LEU 60 13.571 28.800 8.331 470 HG LEU 60 HG LEU 60 11.733 27.534 6.279 471 HD11 LEU 60 HD11 LEU 60 13.694 28.679 5.375 472 HD12 LEU 60 HD12 LEU 60 14.766 27.792 6.480 473 HD13 LEU 60 HD13 LEU 60 13.880 26.930 5.191 474 HD21 LEU 60 HD21 LEU 60 12.912 25.399 6.764 475 HD22 LEU 60 HD22 LEU 60 13.666 26.163 8.194 476 HD23 LEU 60 HD23 LEU 60 11.908 25.928 8.107 477 H ILE 61 H ILE 61 13.051 29.141 10.945 478 HA ILE 61 HA ILE 61 11.950 31.862 11.456 479 HB ILE 61 HB ILE 61 11.977 31.518 13.847 480 HG12 ILE 61 HG12 ILE 61 11.944 28.838 14.435 481 HG13 ILE 61 HG13 ILE 61 13.154 28.863 13.160 482 HG21 ILE 61 HG21 ILE 61 9.970 30.144 14.059 483 HG22 ILE 61 HG22 ILE 61 9.902 31.190 12.630 484 HG23 ILE 61 HG23 ILE 61 10.241 29.468 12.439 485 HD11 ILE 61 HD11 ILE 61 14.144 29.057 15.421 486 HD12 ILE 61 HD12 ILE 61 14.510 30.482 14.443 487 HD13 ILE 61 HD13 ILE 61 13.246 30.565 15.686 488 H GLU 62 H GLU 62 13.325 33.207 12.717 489 HA GLU 62 HA GLU 62 16.068 33.117 11.764 490 HB2 GLU 62 HB2 GLU 62 14.798 35.129 13.670 491 HB3 GLU 62 HB3 GLU 62 16.299 35.280 12.775 492 HG2 GLU 62 HG2 GLU 62 14.992 36.474 11.370 493 HG3 GLU 62 HG3 GLU 62 14.736 34.895 10.650 494 H GLU 63 H GLU 63 17.666 32.060 12.707 495 HA GLU 63 HA GLU 63 17.563 31.204 15.530 496 HB2 GLU 63 HB2 GLU 63 18.161 29.636 13.732 497 HB3 GLU 63 HB3 GLU 63 19.521 30.651 13.273 498 HG2 GLU 63 HG2 GLU 63 20.144 28.638 14.592 499 HG3 GLU 63 HG3 GLU 63 20.710 30.159 15.287 500 H GLN 64 H GLN 64 19.156 31.750 17.083 501 HA GLN 64 HA GLN 64 20.669 34.259 16.531 502 HB2 GLN 64 HB2 GLN 64 19.387 33.586 19.181 503 HB3 GLN 64 HB3 GLN 64 20.085 35.114 18.681 504 HG2 GLN 64 HG2 GLN 64 17.489 33.869 17.695 505 HG3 GLN 64 HG3 GLN 64 17.669 35.293 18.693 506 HE21 GLN 64 HE21 GLN 64 16.462 34.744 15.874 507 HE22 GLN 64 HE22 GLN 64 17.138 36.080 14.949 508 H ASN 65 H ASN 65 21.131 31.111 17.165 509 HA ASN 65 HA ASN 65 23.523 31.227 18.822 510 HB2 ASN 65 HB2 ASN 65 21.875 29.286 18.456 511 HB3 ASN 65 HB3 ASN 65 22.628 29.055 16.879 512 HD21 ASN 65 HD21 ASN 65 22.977 26.855 17.833 513 HD22 ASN 65 HD22 ASN 65 24.422 26.632 18.824 514 H ARG 66 H ARG 66 22.913 32.075 15.618 515 HA ARG 66 HA ARG 66 25.279 31.492 14.156 516 HB2 ARG 66 HB2 ARG 66 24.548 33.293 12.668 517 HB3 ARG 66 HB3 ARG 66 23.218 32.233 13.107 518 HG2 ARG 66 HG2 ARG 66 22.527 33.936 14.855 519 HG3 ARG 66 HG3 ARG 66 23.774 35.022 14.224 520 HD2 ARG 66 HD2 ARG 66 22.648 35.136 12.071 521 HD3 ARG 66 HD3 ARG 66 21.534 33.852 12.541 522 HE ARG 66 HE ARG 66 20.409 35.235 14.051 523 HH11 ARG 66 HH11 ARG 66 22.667 37.143 12.148 524 HH12 ARG 66 HH12 ARG 66 21.991 38.644 12.710 525 HH21 ARG 66 HH21 ARG 66 19.775 37.179 14.884 526 HH22 ARG 66 HH22 ARG 66 20.356 38.660 14.186 527 H1 GLY -3 H1 GLY -3 -8.047 5.629 2.391 528 H2 GLY -3 H2 GLY -3 -7.369 5.046 1.013 529 H3 GLY -3 H3 GLY -3 -8.271 6.414 0.971 530 HA2 GLY -3 HA2 GLY -3 -5.690 6.106 2.362 531 HA3 GLY -3 HA3 GLY -3 -5.930 6.941 0.820 532 HA PRO -2 HA PRO -2 -6.474 9.822 4.544 533 HB2 PRO -2 HB2 PRO -2 -4.159 11.241 4.516 534 HB3 PRO -2 HB3 PRO -2 -4.270 9.604 5.227 535 HG2 PRO -2 HG2 PRO -2 -3.321 10.341 2.431 536 HG3 PRO -2 HG3 PRO -2 -2.477 9.336 3.649 537 HD2 PRO -2 HD2 PRO -2 -4.004 8.218 1.688 538 HD3 PRO -2 HD3 PRO -2 -3.974 7.538 3.347 539 H GLY -1 H GLY -1 -5.913 10.280 1.145 540 HA2 GLY -1 HA2 GLY -1 -6.870 11.905 -0.272 541 HA3 GLY -1 HA3 GLY -1 -7.378 12.840 1.127 542 H SER 0 H SER 0 -6.549 14.833 0.580 543 HA SER 0 HA SER 0 -3.978 15.245 -0.653 544 HB2 SER 0 HB2 SER 0 -4.536 17.636 -0.411 545 HB3 SER 0 HB3 SER 0 -5.862 16.705 -1.115 546 HG SER 0 HG SER 0 -6.579 18.152 0.526 547 H MET 1 H MET 1 -4.925 15.004 2.695 548 HA MET 1 HA MET 1 -2.572 16.436 3.732 549 HB2 MET 1 HB2 MET 1 -3.390 15.809 5.922 550 HB3 MET 1 HB3 MET 1 -4.673 16.590 4.988 551 HG2 MET 1 HG2 MET 1 -5.735 14.446 4.604 552 HG3 MET 1 HG3 MET 1 -4.392 13.564 5.338 553 HE1 MET 1 HE1 MET 1 -3.654 15.013 8.041 554 HE2 MET 1 HE2 MET 1 -4.755 14.137 9.131 555 HE3 MET 1 HE3 MET 1 -3.921 13.267 7.823 556 H CYS 2 H CYS 2 -1.005 15.474 5.041 557 HA CYS 2 HA CYS 2 -0.461 12.557 4.655 558 HB2 CYS 2 HB2 CYS 2 1.424 14.927 4.699 559 HB3 CYS 2 HB3 CYS 2 1.961 13.250 4.756 560 H MET 3 H MET 3 1.176 11.831 6.356 561 HA MET 3 HA MET 3 1.277 13.303 8.868 562 HB2 MET 3 HB2 MET 3 0.455 11.553 10.307 563 HB3 MET 3 HB3 MET 3 -0.799 11.991 9.149 564 HG2 MET 3 HG2 MET 3 -0.943 9.692 9.228 565 HG3 MET 3 HG3 MET 3 -0.008 9.954 7.767 566 HE1 MET 3 HE1 MET 3 1.319 6.536 9.219 567 HE2 MET 3 HE2 MET 3 -0.339 7.155 9.366 568 HE3 MET 3 HE3 MET 3 0.559 7.346 7.834 569 H ALA 4 H ALA 4 2.818 12.215 10.405 570 HA ALA 4 HA ALA 4 4.962 10.649 9.040 571 HB1 ALA 4 HB1 ALA 4 5.316 13.338 10.467 572 HB2 ALA 4 HB2 ALA 4 6.634 12.334 9.825 573 HB3 ALA 4 HB3 ALA 4 5.477 13.054 8.711 574 H LYS 5 H LYS 5 6.798 10.273 10.727 575 HA LYS 5 HA LYS 5 5.741 10.061 13.506 576 HB2 LYS 5 HB2 LYS 5 7.008 8.143 14.003 577 HB3 LYS 5 HB3 LYS 5 6.011 7.783 12.592 578 HG2 LYS 5 HG2 LYS 5 7.936 7.930 11.105 579 HG3 LYS 5 HG3 LYS 5 8.968 8.517 12.426 580 HD2 LYS 5 HD2 LYS 5 8.546 6.400 13.675 581 HD3 LYS 5 HD3 LYS 5 7.670 5.772 12.271 582 HE2 LYS 5 HE2 LYS 5 9.681 5.905 10.897 583 HE3 LYS 5 HE3 LYS 5 10.557 6.763 12.177 584 HZ1 LYS 5 HZ1 LYS 5 10.348 4.778 13.567 585 HZ2 LYS 5 HZ2 LYS 5 9.560 3.975 12.382 586 HZ3 LYS 5 HZ3 LYS 5 11.129 4.406 12.175 587 H VAL 6 H VAL 6 7.064 10.617 15.160 588 HA VAL 6 HA VAL 6 9.508 12.218 14.499 589 HB VAL 6 HB VAL 6 7.626 12.308 16.865 590 HG11 VAL 6 HG11 VAL 6 9.850 12.416 17.875 591 HG12 VAL 6 HG12 VAL 6 10.379 13.598 16.653 592 HG13 VAL 6 HG13 VAL 6 9.146 14.031 17.843 593 HG21 VAL 6 HG21 VAL 6 7.451 14.662 16.211 594 HG22 VAL 6 HG22 VAL 6 8.712 14.454 14.985 595 HG23 VAL 6 HG23 VAL 6 7.139 13.662 14.791 596 H VAL 7 H VAL 7 11.470 11.700 15.324 597 HA VAL 7 HA VAL 7 11.697 9.510 17.306 598 HB VAL 7 HB VAL 7 12.077 8.430 15.188 599 HG11 VAL 7 HG11 VAL 7 12.820 10.325 13.795 600 HG12 VAL 7 HG12 VAL 7 14.346 10.395 14.688 601 HG13 VAL 7 HG13 VAL 7 13.953 8.976 13.710 602 HG21 VAL 7 HG21 VAL 7 14.779 8.764 16.555 603 HG22 VAL 7 HG22 VAL 7 13.463 7.755 17.185 604 HG23 VAL 7 HG23 VAL 7 14.186 7.377 15.626 605 H LEU 8 H LEU 8 13.156 9.759 18.841 606 HA LEU 8 HA LEU 8 15.345 11.709 18.706 607 HB2 LEU 8 HB2 LEU 8 14.636 13.044 20.580 608 HB3 LEU 8 HB3 LEU 8 13.368 13.034 19.372 609 HG LEU 8 HG LEU 8 12.482 10.969 20.929 610 HD11 LEU 8 HD11 LEU 8 14.295 11.229 22.630 611 HD12 LEU 8 HD12 LEU 8 13.834 12.934 22.847 612 HD13 LEU 8 HD13 LEU 8 12.719 11.639 23.310 613 HD21 LEU 8 HD21 LEU 8 12.004 13.916 21.473 614 HD22 LEU 8 HD22 LEU 8 11.177 12.926 20.240 615 HD23 LEU 8 HD23 LEU 8 10.949 12.564 21.958 616 H THR 9 H THR 9 16.829 11.496 20.537 617 HA THR 9 HA THR 9 16.567 8.969 22.104 618 HB THR 9 HB THR 9 19.173 9.713 20.758 619 HG1 THR 9 HG1 THR 9 17.701 9.156 19.180 620 HG21 THR 9 HG21 THR 9 19.713 7.345 21.250 621 HG22 THR 9 HG22 THR 9 19.376 8.236 22.742 622 HG23 THR 9 HG23 THR 9 18.153 7.132 22.042 623 H LYS 10 H LYS 10 16.914 9.256 24.176 624 HA LYS 10 HA LYS 10 17.718 11.803 25.307 625 HB2 LYS 10 HB2 LYS 10 17.196 9.051 26.511 626 HB3 LYS 10 HB3 LYS 10 17.561 10.494 27.476 627 HG2 LYS 10 HG2 LYS 10 15.608 11.652 26.619 628 HG3 LYS 10 HG3 LYS 10 15.181 10.297 25.569 629 HD2 LYS 10 HD2 LYS 10 15.443 10.016 28.588 630 HD3 LYS 10 HD3 LYS 10 13.929 10.514 27.800 631 HE2 LYS 10 HE2 LYS 10 13.968 8.416 26.450 632 HE3 LYS 10 HE3 LYS 10 15.436 7.917 27.317 633 HZ1 LYS 10 HZ1 LYS 10 14.156 7.943 29.387 634 HZ2 LYS 10 HZ2 LYS 10 12.809 8.434 28.597 635 HZ3 LYS 10 HZ3 LYS 10 13.432 6.953 28.315 636 H ALA 11 H ALA 11 19.397 12.160 26.845 637 HA ALA 11 HA ALA 11 22.038 11.349 26.059 638 HB1 ALA 11 HB1 ALA 11 21.507 13.494 27.171 639 HB2 ALA 11 HB2 ALA 11 21.024 12.619 28.642 640 HB3 ALA 11 HB3 ALA 11 22.718 12.583 28.091 641 H ASP 12 H ASP 12 19.749 10.003 28.387 642 HA ASP 12 HA ASP 12 21.538 8.157 29.691 643 HB2 ASP 12 HB2 ASP 12 18.512 8.226 29.374 644 HB3 ASP 12 HB3 ASP 12 19.405 7.164 30.459 645 H GLY 13 H GLY 13 20.511 8.222 26.502 646 HA2 GLY 13 HA2 GLY 13 20.973 6.704 24.818 647 HA3 GLY 13 HA3 GLY 13 21.210 5.410 25.991 648 H GLY 14 H GLY 14 18.269 7.008 26.656 649 HA2 GLY 14 HA2 GLY 14 16.693 4.726 25.691 650 HA3 GLY 14 HA3 GLY 14 16.126 6.096 26.645 651 H ARG 15 H ARG 15 16.045 4.660 23.607 652 HA ARG 15 HA ARG 15 15.521 7.094 22.021 653 HB2 ARG 15 HB2 ARG 15 16.692 5.175 21.056 654 HB3 ARG 15 HB3 ARG 15 15.282 4.148 21.307 655 HG2 ARG 15 HG2 ARG 15 14.021 5.217 19.640 656 HG3 ARG 15 HG3 ARG 15 14.968 6.714 19.709 657 HD2 ARG 15 HD2 ARG 15 16.076 4.077 18.671 658 HD3 ARG 15 HD3 ARG 15 15.355 5.333 17.655 659 HE ARG 15 HE ARG 15 17.214 6.745 19.101 660 HH11 ARG 15 HH11 ARG 15 17.581 3.949 17.024 661 HH12 ARG 15 HH12 ARG 15 19.248 4.337 16.679 662 HH21 ARG 15 HH21 ARG 15 19.219 7.190 18.647 663 HH22 ARG 15 HH22 ARG 15 20.171 6.163 17.574 664 H VAL 16 H VAL 16 13.627 7.817 21.301 665 HA VAL 16 HA VAL 16 11.071 6.587 22.237 666 HB VAL 16 HB VAL 16 11.866 9.501 22.527 667 HG11 VAL 16 HG11 VAL 16 9.647 9.812 23.589 668 HG12 VAL 16 HG12 VAL 16 9.510 9.421 21.876 669 HG13 VAL 16 HG13 VAL 16 9.194 8.165 23.103 670 HG21 VAL 16 HG21 VAL 16 11.441 9.141 24.944 671 HG22 VAL 16 HG22 VAL 16 11.198 7.406 24.619 672 HG23 VAL 16 HG23 VAL 16 12.783 8.155 24.348 673 H GLU 17 H GLU 17 9.450 6.626 20.790 674 HA GLU 17 HA GLU 17 9.668 8.318 18.374 675 HB2 GLU 17 HB2 GLU 17 9.084 5.332 18.325 676 HB3 GLU 17 HB3 GLU 17 8.869 6.435 16.964 677 HG2 GLU 17 HG2 GLU 17 11.287 6.966 17.014 678 HG3 GLU 17 HG3 GLU 17 11.522 5.828 18.348 679 H ILE 18 H ILE 18 7.760 9.011 17.508 680 HA ILE 18 HA ILE 18 5.184 8.211 18.815 681 HB ILE 18 HB ILE 18 6.040 11.042 18.116 682 HG12 ILE 18 HG12 ILE 18 5.275 10.052 20.884 683 HG13 ILE 18 HG13 ILE 18 6.945 10.005 20.329 684 HG21 ILE 18 HG21 ILE 18 3.826 11.708 19.042 685 HG22 ILE 18 HG22 ILE 18 3.630 10.666 17.648 686 HG23 ILE 18 HG23 ILE 18 3.417 10.000 19.283 687 HD11 ILE 18 HD11 ILE 18 6.468 12.031 21.637 688 HD12 ILE 18 HD12 ILE 18 7.032 12.391 19.985 689 HD13 ILE 18 HD13 ILE 18 5.317 12.563 20.403 690 H GLY 19 H GLY 19 3.904 7.386 17.313 691 HA2 GLY 19 HA2 GLY 19 4.304 7.927 14.419 692 HA3 GLY 19 HA3 GLY 19 3.292 6.678 15.123 693 H ASP 20 H ASP 20 2.286 8.081 13.084 694 HA ASP 20 HA ASP 20 0.510 9.250 12.345 695 HB2 ASP 20 HB2 ASP 20 -0.681 8.783 15.095 696 HB3 ASP 20 HB3 ASP 20 -1.543 9.019 13.578 697 H VAL 21 H VAL 21 2.578 10.897 13.290 698 HA VAL 21 HA VAL 21 1.559 13.193 14.764 699 HB VAL 21 HB VAL 21 4.141 12.813 13.198 700 HG11 VAL 21 HG11 VAL 21 3.281 15.023 15.111 701 HG12 VAL 21 HG12 VAL 21 4.938 14.752 14.497 702 HG13 VAL 21 HG13 VAL 21 3.662 15.192 13.375 703 HG21 VAL 21 HG21 VAL 21 3.945 11.313 15.158 704 HG22 VAL 21 HG22 VAL 21 5.130 12.570 15.476 705 HG23 VAL 21 HG23 VAL 21 3.501 12.677 16.182 706 H LEU 22 H LEU 22 0.549 14.892 14.020 707 HA LEU 22 HA LEU 22 0.103 15.227 11.102 708 HB2 LEU 22 HB2 LEU 22 -1.805 14.910 12.557 709 HB3 LEU 22 HB3 LEU 22 -1.339 16.255 13.583 710 HG LEU 22 HG LEU 22 -1.725 16.798 10.647 711 HD11 LEU 22 HD11 LEU 22 -4.164 17.059 10.904 712 HD12 LEU 22 HD12 LEU 22 -3.652 15.378 11.093 713 HD13 LEU 22 HD13 LEU 22 -4.062 16.358 12.533 714 HD21 LEU 22 HD21 LEU 22 -2.799 18.864 11.562 715 HD22 LEU 22 HD22 LEU 22 -2.541 18.268 13.209 716 HD23 LEU 22 HD23 LEU 22 -1.155 18.671 12.169 717 H GLU 23 H GLU 23 1.365 16.951 13.966 718 HA GLU 23 HA GLU 23 2.998 18.595 12.203 719 HB2 GLU 23 HB2 GLU 23 2.302 20.770 13.031 720 HB3 GLU 23 HB3 GLU 23 0.991 19.959 12.196 721 HG2 GLU 23 HG2 GLU 23 -0.059 19.362 14.358 722 HG3 GLU 23 HG3 GLU 23 1.283 20.138 15.224 723 H VAL 24 H VAL 24 4.619 19.808 13.195 724 HA VAL 24 HA VAL 24 5.351 19.194 16.012 725 HB VAL 24 HB VAL 24 7.228 18.878 13.636 726 HG11 VAL 24 HG11 VAL 24 7.733 18.367 16.596 727 HG12 VAL 24 HG12 VAL 24 8.850 17.992 15.277 728 HG13 VAL 24 HG13 VAL 24 8.434 19.673 15.628 729 HG21 VAL 24 HG21 VAL 24 6.035 16.771 15.476 730 HG22 VAL 24 HG22 VAL 24 5.734 16.950 13.730 731 HG23 VAL 24 HG23 VAL 24 7.335 16.482 14.307 732 H ARG 25 H ARG 25 6.405 20.892 17.036 733 HA ARG 25 HA ARG 25 7.217 23.283 15.429 734 HB2 ARG 25 HB2 ARG 25 5.344 23.444 17.830 735 HB3 ARG 25 HB3 ARG 25 5.998 24.797 16.891 736 HG2 ARG 25 HG2 ARG 25 4.762 23.876 14.861 737 HG3 ARG 25 HG3 ARG 25 3.983 22.709 15.951 738 HD2 ARG 25 HD2 ARG 25 3.129 24.592 17.331 739 HD3 ARG 25 HD3 ARG 25 3.859 25.736 16.185 740 HE ARG 25 HE ARG 25 1.965 23.754 15.047 741 HH11 ARG 25 HH11 ARG 25 2.158 27.043 16.319 742 HH12 ARG 25 HH12 ARG 25 0.655 27.478 15.544 743 HH21 ARG 25 HH21 ARG 25 0.193 24.329 14.203 744 HH22 ARG 25 HH22 ARG 25 -0.462 25.967 14.293 745 H ALA 26 H ALA 26 8.960 24.296 16.142 746 HA ALA 26 HA ALA 26 10.215 23.519 18.730 747 HB1 ALA 26 HB1 ALA 26 12.192 24.667 17.856 748 HB2 ALA 26 HB2 ALA 26 11.633 23.422 16.736 749 HB3 ALA 26 HB3 ALA 26 11.293 25.141 16.389 750 H GLU 27 H GLU 27 10.394 24.919 20.395 751 HA GLU 27 HA GLU 27 9.039 27.575 20.226 752 HB2 GLU 27 HB2 GLU 27 9.424 25.632 22.533 753 HB3 GLU 27 HB3 GLU 27 8.639 27.196 22.693 754 HG2 GLU 27 HG2 GLU 27 7.612 25.091 20.752 755 HG3 GLU 27 HG3 GLU 27 7.178 25.096 22.451 756 H GLY 28 H GLY 28 12.021 26.763 19.905 757 HA2 GLY 28 HA2 GLY 28 14.051 27.844 20.209 758 HA3 GLY 28 HA3 GLY 28 13.186 29.185 20.975 759 H GLY 29 H GLY 29 13.330 25.781 21.978 760 HA2 GLY 29 HA2 GLY 29 15.149 25.679 24.014 761 HA3 GLY 29 HA3 GLY 29 13.778 26.503 24.779 762 H ALA 30 H ALA 30 12.058 24.746 22.800 763 HA ALA 30 HA ALA 30 12.410 22.015 23.756 764 HB1 ALA 30 HB1 ALA 30 10.112 21.867 24.662 765 HB2 ALA 30 HB2 ALA 30 11.049 23.066 25.559 766 HB3 ALA 30 HB3 ALA 30 9.862 23.609 24.357 767 H VAL 31 H VAL 31 11.014 20.523 22.593 768 HA VAL 31 HA VAL 31 9.708 21.628 20.123 769 HB VAL 31 HB VAL 31 11.098 18.960 20.431 770 HG11 VAL 31 HG11 VAL 31 9.304 19.989 18.181 771 HG12 VAL 31 HG12 VAL 31 10.403 18.612 18.019 772 HG13 VAL 31 HG13 VAL 31 9.072 18.516 19.155 773 HG21 VAL 31 HG21 VAL 31 12.447 19.754 18.540 774 HG22 VAL 31 HG22 VAL 31 11.497 21.255 18.458 775 HG23 VAL 31 HG23 VAL 31 12.528 20.926 19.860 776 H ARG 32 H ARG 32 7.690 21.144 19.708 777 HA ARG 32 HA ARG 32 6.102 19.381 21.558 778 HB2 ARG 32 HB2 ARG 32 5.345 21.878 20.001 779 HB3 ARG 32 HB3 ARG 32 4.177 20.833 20.818 780 HG2 ARG 32 HG2 ARG 32 5.124 21.347 23.001 781 HG3 ARG 32 HG3 ARG 32 6.496 22.189 22.272 782 HD2 ARG 32 HD2 ARG 32 4.956 23.841 23.088 783 HD3 ARG 32 HD3 ARG 32 4.999 23.878 21.318 784 HE ARG 32 HE ARG 32 2.845 22.178 22.287 785 HH11 ARG 32 HH11 ARG 32 3.566 25.606 21.737 786 HH12 ARG 32 HH12 ARG 32 1.859 25.982 21.645 787 HH21 ARG 32 HH21 ARG 32 0.864 22.705 22.153 788 HH22 ARG 32 HH22 ARG 32 0.313 24.362 21.872 789 H VAL 33 H VAL 33 4.738 17.925 20.678 790 HA VAL 33 HA VAL 33 4.722 17.469 17.712 791 HB VAL 33 HB VAL 33 5.200 15.396 19.909 792 HG11 VAL 33 HG11 VAL 33 5.091 15.091 16.892 793 HG12 VAL 33 HG12 VAL 33 5.609 13.833 18.028 794 HG13 VAL 33 HG13 VAL 33 3.946 14.414 18.066 795 HG21 VAL 33 HG21 VAL 33 7.239 16.708 19.555 796 HG22 VAL 33 HG22 VAL 33 7.407 15.079 18.914 797 HG23 VAL 33 HG23 VAL 33 7.119 16.437 17.796 798 H THR 34 H THR 34 2.670 17.170 16.957 799 HA THR 34 HA THR 34 0.520 16.334 18.871 800 HB THR 34 HB THR 34 0.344 18.482 16.741 801 HG1 THR 34 HG1 THR 34 1.386 19.193 18.581 802 HG21 THR 34 HG21 THR 34 -1.893 18.948 17.788 803 HG22 THR 34 HG22 THR 34 -1.827 17.392 16.952 804 HG23 THR 34 HG23 THR 34 -1.733 17.448 18.724 805 H THR 35 H THR 35 -0.730 14.722 18.263 806 HA THR 35 HA THR 35 -0.420 13.484 15.588 807 HB THR 35 HB THR 35 -1.682 11.636 16.451 808 HG1 THR 35 HG1 THR 35 -1.908 13.064 18.865 809 HG21 THR 35 HG21 THR 35 -0.266 10.852 18.261 810 HG22 THR 35 HG22 THR 35 0.716 11.703 17.053 811 HG23 THR 35 HG23 THR 35 0.322 12.500 18.585 812 H LEU 36 H LEU 36 -2.358 12.709 14.368 813 HA LEU 36 HA LEU 36 -4.380 14.768 14.119 814 HB2 LEU 36 HB2 LEU 36 -5.177 13.691 12.290 815 HB3 LEU 36 HB3 LEU 36 -3.462 13.319 12.236 816 HG LEU 36 HG LEU 36 -5.685 11.411 13.129 817 HD11 LEU 36 HD11 LEU 36 -3.974 11.542 10.605 818 HD12 LEU 36 HD12 LEU 36 -5.171 10.288 10.998 819 HD13 LEU 36 HD13 LEU 36 -5.693 11.960 10.715 820 HD21 LEU 36 HD21 LEU 36 -3.559 10.846 14.247 821 HD22 LEU 36 HD22 LEU 36 -3.930 9.673 12.981 822 HD23 LEU 36 HD23 LEU 36 -2.707 10.930 12.681 823 H PHE 37 H PHE 37 -4.115 12.253 16.337 824 HA PHE 37 HA PHE 37 -7.014 12.102 16.945 825 HB2 PHE 37 HB2 PHE 37 -4.639 10.941 18.440 826 HB3 PHE 37 HB3 PHE 37 -6.333 10.528 18.666 827 HD1 PHE 37 HD1 PHE 37 -3.334 9.476 17.135 828 HD2 PHE 37 HD2 PHE 37 -7.584 9.710 16.421 829 HE1 PHE 37 HE1 PHE 37 -3.154 7.670 15.446 830 HE2 PHE 37 HE2 PHE 37 -7.393 7.917 14.714 831 HZ PHE 37 HZ PHE 37 -5.175 6.887 14.229 832 H ASP 38 H ASP 38 -4.890 14.480 17.277 833 HA ASP 38 HA ASP 38 -4.448 16.221 18.502 834 HB2 ASP 38 HB2 ASP 38 -6.166 17.440 19.584 835 HB3 ASP 38 HB3 ASP 38 -6.787 16.690 18.124 836 H GLU 39 H GLU 39 -3.875 13.493 19.786 837 HA GLU 39 HA GLU 39 -3.241 14.263 22.543 838 HB2 GLU 39 HB2 GLU 39 -2.047 12.037 20.847 839 HB3 GLU 39 HB3 GLU 39 -1.817 12.298 22.576 840 HG2 GLU 39 HG2 GLU 39 -4.353 12.084 22.840 841 HG3 GLU 39 HG3 GLU 39 -4.396 11.519 21.167 842 H GLU 40 H GLU 40 -1.317 15.064 23.305 843 HA GLU 40 HA GLU 40 0.662 16.068 21.318 844 HB2 GLU 40 HB2 GLU 40 -0.936 17.831 21.893 845 HB3 GLU 40 HB3 GLU 40 -0.564 17.605 23.617 846 HG2 GLU 40 HG2 GLU 40 1.714 18.366 23.300 847 HG3 GLU 40 HG3 GLU 40 1.488 18.440 21.544 848 H HIS 41 H HIS 41 2.736 16.204 21.918 849 HA HIS 41 HA HIS 41 3.630 15.294 24.622 850 HB2 HIS 41 HB2 HIS 41 4.911 14.470 21.998 851 HB3 HIS 41 HB3 HIS 41 5.330 13.918 23.613 852 HD2 HIS 41 HD2 HIS 41 2.775 13.384 20.803 853 HE1 HIS 41 HE1 HIS 41 2.021 10.339 23.687 854 HE2 HIS 41 HE2 HIS 41 1.440 11.172 21.349 855 H ALA 42 H ALA 42 5.611 16.235 25.292 856 HA ALA 42 HA ALA 42 6.887 18.242 23.524 857 HB1 ALA 42 HB1 ALA 42 5.833 18.864 26.305 858 HB2 ALA 42 HB2 ALA 42 6.780 19.960 25.281 859 HB3 ALA 42 HB3 ALA 42 5.155 19.475 24.780 860 H PHE 43 H PHE 43 8.993 18.633 23.849 861 HA PHE 43 HA PHE 43 10.475 17.055 25.904 862 HB2 PHE 43 HB2 PHE 43 11.024 17.163 22.923 863 HB3 PHE 43 HB3 PHE 43 12.015 16.339 24.141 864 HD1 PHE 43 HD1 PHE 43 11.134 14.313 25.320 865 HD2 PHE 43 HD2 PHE 43 8.964 16.182 22.088 866 HE1 PHE 43 HE1 PHE 43 9.685 12.296 25.108 867 HE2 PHE 43 HE2 PHE 43 7.535 14.177 21.884 868 HZ PHE 43 HZ PHE 43 7.879 12.225 23.402 869 HA PRO 44 HA PRO 44 12.379 21.190 26.042 870 HB2 PRO 44 HB2 PRO 44 13.682 20.986 28.414 871 HB3 PRO 44 HB3 PRO 44 11.909 21.220 28.294 872 HG2 PRO 44 HG2 PRO 44 13.424 18.615 28.679 873 HG3 PRO 44 HG3 PRO 44 12.013 19.215 29.611 874 HD2 PRO 44 HD2 PRO 44 11.755 17.454 27.546 875 HD3 PRO 44 HD3 PRO 44 10.520 18.725 27.854 876 H GLY 45 H GLY 45 14.364 21.983 25.508 877 HA2 GLY 45 HA2 GLY 45 16.649 22.095 25.156 878 HA3 GLY 45 HA3 GLY 45 16.851 20.469 25.802 879 H LEU 46 H LEU 46 14.509 20.339 23.358 880 HA LEU 46 HA LEU 46 16.516 19.415 21.359 881 HB2 LEU 46 HB2 LEU 46 13.519 18.920 21.476 882 HB3 LEU 46 HB3 LEU 46 14.641 18.252 20.285 883 HG LEU 46 HG LEU 46 14.503 17.588 23.249 884 HD11 LEU 46 HD11 LEU 46 14.255 15.838 20.778 885 HD12 LEU 46 HD12 LEU 46 13.942 15.381 22.468 886 HD13 LEU 46 HD13 LEU 46 12.872 16.532 21.642 887 HD21 LEU 46 HD21 LEU 46 16.881 17.575 22.685 888 HD22 LEU 46 HD22 LEU 46 16.309 15.911 22.769 889 HD23 LEU 46 HD23 LEU 46 16.560 16.685 21.184 890 H ALA 47 H ALA 47 16.135 19.779 19.149 891 HA ALA 47 HA ALA 47 14.306 21.921 18.276 892 HB1 ALA 47 HB1 ALA 47 16.482 23.066 18.492 893 HB2 ALA 47 HB2 ALA 47 17.277 21.781 17.549 894 HB3 ALA 47 HB3 ALA 47 16.088 22.850 16.779 895 H ILE 48 H ILE 48 13.860 21.759 15.935 896 HA ILE 48 HA ILE 48 13.615 18.991 15.046 897 HB ILE 48 HB ILE 48 12.901 21.573 13.622 898 HG12 ILE 48 HG12 ILE 48 11.012 19.643 15.027 899 HG13 ILE 48 HG13 ILE 48 11.643 21.088 15.801 900 HG21 ILE 48 HG21 ILE 48 11.503 20.056 12.171 901 HG22 ILE 48 HG22 ILE 48 13.225 19.724 12.023 902 HG23 ILE 48 HG23 ILE 48 12.194 18.660 13.007 903 HD11 ILE 48 HD11 ILE 48 9.840 21.029 13.363 904 HD12 ILE 48 HD12 ILE 48 9.480 21.658 14.976 905 HD13 ILE 48 HD13 ILE 48 10.663 22.494 13.952 906 H GLY 49 H GLY 49 15.254 17.914 14.129 907 HA2 GLY 49 HA2 GLY 49 17.625 19.381 13.117 908 HA3 GLY 49 HA3 GLY 49 17.510 17.684 13.570 909 H ARG 50 H ARG 50 15.380 16.812 12.004 910 HA ARG 50 HA ARG 50 16.029 17.416 9.177 911 HB2 ARG 50 HB2 ARG 50 17.370 15.345 10.419 912 HB3 ARG 50 HB3 ARG 50 15.947 14.496 9.818 913 HG2 ARG 50 HG2 ARG 50 16.443 15.573 7.533 914 HG3 ARG 50 HG3 ARG 50 17.951 16.158 8.263 915 HD2 ARG 50 HD2 ARG 50 18.472 13.726 8.831 916 HD3 ARG 50 HD3 ARG 50 17.101 13.265 7.825 917 HE ARG 50 HE ARG 50 19.736 14.087 6.962 918 HH11 ARG 50 HH11 ARG 50 20.256 14.329 4.774 919 HH12 ARG 50 HH12 ARG 50 18.918 14.460 3.623 920 HH21 ARG 50 HH21 ARG 50 16.377 14.016 5.733 921 HH22 ARG 50 HH22 ARG 50 16.994 14.344 4.110 922 H VAL 51 H VAL 51 14.468 16.982 7.720 923 HA VAL 51 HA VAL 51 11.912 15.723 8.614 924 HB VAL 51 HB VAL 51 12.113 18.296 7.021 925 HG11 VAL 51 HG11 VAL 51 9.647 18.402 7.453 926 HG12 VAL 51 HG12 VAL 51 10.130 17.030 6.442 927 HG13 VAL 51 HG13 VAL 51 9.728 16.774 8.150 928 HG21 VAL 51 HG21 VAL 51 11.263 17.948 9.919 929 HG22 VAL 51 HG22 VAL 51 12.744 18.759 9.350 930 HG23 VAL 51 HG23 VAL 51 11.188 19.451 8.954 931 H ASP 52 H ASP 52 11.606 14.030 7.358 932 HA ASP 52 HA ASP 52 12.641 14.002 4.542 933 HB2 ASP 52 HB2 ASP 52 12.165 11.678 6.449 934 HB3 ASP 52 HB3 ASP 52 12.861 11.602 4.829 935 H LEU 53 H LEU 53 10.788 14.737 3.421 936 HA LEU 53 HA LEU 53 8.133 13.939 4.204 937 HB2 LEU 53 HB2 LEU 53 9.092 15.231 1.605 938 HB3 LEU 53 HB3 LEU 53 7.433 15.026 2.113 939 HG LEU 53 HG LEU 53 7.916 17.254 2.446 940 HD11 LEU 53 HD11 LEU 53 7.542 17.642 4.797 941 HD12 LEU 53 HD12 LEU 53 6.649 16.198 4.285 942 HD13 LEU 53 HD13 LEU 53 8.156 16.032 5.217 943 HD21 LEU 53 HD21 LEU 53 10.389 16.623 4.090 944 HD22 LEU 53 HD22 LEU 53 10.333 17.250 2.422 945 HD23 LEU 53 HD23 LEU 53 9.705 18.225 3.738 946 H ARG 54 H ARG 54 10.350 12.698 1.742 947 HA ARG 54 HA ARG 54 8.576 10.808 0.490 948 HB2 ARG 54 HB2 ARG 54 10.752 11.420 -0.448 949 HB3 ARG 54 HB3 ARG 54 11.595 10.714 0.935 950 HG2 ARG 54 HG2 ARG 54 10.907 8.469 0.291 951 HG3 ARG 54 HG3 ARG 54 9.772 9.111 -0.902 952 HD2 ARG 54 HD2 ARG 54 11.737 8.219 -2.007 953 HD3 ARG 54 HD3 ARG 54 11.619 9.962 -2.263 954 HE ARG 54 HE ARG 54 13.276 9.315 0.033 955 HH11 ARG 54 HH11 ARG 54 13.460 9.393 -3.478 956 HH12 ARG 54 HH12 ARG 54 15.180 9.648 -3.465 957 HH21 ARG 54 HH21 ARG 54 15.459 9.649 -0.030 958 HH22 ARG 54 HH22 ARG 54 16.274 9.804 -1.566 959 H SER 55 H SER 55 10.670 10.459 3.343 960 HA SER 55 HA SER 55 9.906 7.675 3.802 961 HB2 SER 55 HB2 SER 55 11.438 9.587 5.606 962 HB3 SER 55 HB3 SER 55 11.376 7.819 5.729 963 HG SER 55 HG SER 55 13.257 8.461 4.649 964 H GLY 56 H GLY 56 8.735 10.779 4.988 965 HA2 GLY 56 HA2 GLY 56 6.953 11.296 6.357 966 HA3 GLY 56 HA3 GLY 56 6.565 9.589 6.549 967 H VAL 57 H VAL 57 9.634 11.326 7.263 968 HA VAL 57 HA VAL 57 9.375 10.554 10.146 969 HB VAL 57 HB VAL 57 11.857 10.138 8.458 970 HG11 VAL 57 HG11 VAL 57 12.488 10.709 10.752 971 HG12 VAL 57 HG12 VAL 57 11.311 9.544 11.407 972 HG13 VAL 57 HG13 VAL 57 12.736 8.989 10.496 973 HG21 VAL 57 HG21 VAL 57 10.189 8.397 7.983 974 HG22 VAL 57 HG22 VAL 57 11.490 7.721 8.964 975 HG23 VAL 57 HG23 VAL 57 9.933 8.135 9.724 976 H ILE 58 H ILE 58 10.028 11.972 11.610 977 HA ILE 58 HA ILE 58 11.585 14.390 10.791 978 HB ILE 58 HB ILE 58 9.291 14.160 12.759 979 HG12 ILE 58 HG12 ILE 58 9.561 15.934 10.294 980 HG13 ILE 58 HG13 ILE 58 8.751 14.373 10.280 981 HG21 ILE 58 HG21 ILE 58 11.117 16.546 12.198 982 HG22 ILE 58 HG22 ILE 58 9.661 16.590 13.209 983 HG23 ILE 58 HG23 ILE 58 11.031 15.636 13.731 984 HD11 ILE 58 HD11 ILE 58 7.864 16.811 11.845 985 HD12 ILE 58 HD12 ILE 58 7.060 16.012 10.480 986 HD13 ILE 58 HD13 ILE 58 7.171 15.176 12.034 987 H SER 59 H SER 59 13.521 14.442 11.719 988 HA SER 59 HA SER 59 14.076 12.793 14.170 989 HB2 SER 59 HB2 SER 59 16.024 13.926 12.137 990 HB3 SER 59 HB3 SER 59 16.428 12.952 13.553 991 HG SER 59 HG SER 59 14.881 12.160 11.285 992 H LEU 60 H LEU 60 14.435 13.790 16.043 993 HA LEU 60 HA LEU 60 14.930 16.739 16.077 994 HB2 LEU 60 HB2 LEU 60 14.209 14.939 18.394 995 HB3 LEU 60 HB3 LEU 60 14.244 16.691 18.374 996 HG LEU 60 HG LEU 60 12.253 14.889 16.928 997 HD11 LEU 60 HD11 LEU 60 10.625 15.984 18.404 998 HD12 LEU 60 HD12 LEU 60 11.888 15.157 19.331 999 HD13 LEU 60 HD13 LEU 60 11.934 16.923 19.160 1000 HD21 LEU 60 HD21 LEU 60 12.452 17.934 16.869 1001 HD22 LEU 60 HD22 LEU 60 12.643 16.834 15.482 1002 HD23 LEU 60 HD23 LEU 60 11.076 16.977 16.279 1003 H ILE 61 H ILE 61 16.534 17.652 17.338 1004 HA ILE 61 HA ILE 61 18.823 15.952 18.205 1005 HB ILE 61 HB ILE 61 20.419 17.428 17.143 1006 HG12 ILE 61 HG12 ILE 61 19.161 18.844 15.128 1007 HG13 ILE 61 HG13 ILE 61 18.033 19.068 16.459 1008 HG21 ILE 61 HG21 ILE 61 20.175 16.686 14.846 1009 HG22 ILE 61 HG22 ILE 61 19.708 15.397 15.972 1010 HG23 ILE 61 HG23 ILE 61 18.457 16.314 15.106 1011 HD11 ILE 61 HD11 ILE 61 21.011 19.706 16.558 1012 HD12 ILE 61 HD12 ILE 61 19.693 20.871 16.299 1013 HD13 ILE 61 HD13 ILE 61 19.819 20.020 17.840 1014 H GLU 62 H GLU 62 20.364 17.133 19.579 1015 HA GLU 62 HA GLU 62 18.932 18.675 21.619 1016 HB2 GLU 62 HB2 GLU 62 21.851 17.837 21.402 1017 HB3 GLU 62 HB3 GLU 62 21.125 18.657 22.792 1018 HG2 GLU 62 HG2 GLU 62 19.506 16.772 23.040 1019 HG3 GLU 62 HG3 GLU 62 20.359 15.900 21.763 1020 H GLU 63 H GLU 63 18.711 20.798 21.692 1021 HA GLU 63 HA GLU 63 19.885 22.557 19.728 1022 HB2 GLU 63 HB2 GLU 63 17.592 22.722 20.561 1023 HB3 GLU 63 HB3 GLU 63 18.155 23.104 22.175 1024 HG2 GLU 63 HG2 GLU 63 19.234 24.938 20.080 1025 HG3 GLU 63 HG3 GLU 63 17.479 24.902 20.155 1026 H GLN 64 H GLN 64 21.370 24.206 19.968 1027 HA GLN 64 HA GLN 64 23.181 24.032 22.338 1028 HB2 GLN 64 HB2 GLN 64 23.920 24.462 19.431 1029 HB3 GLN 64 HB3 GLN 64 25.031 24.310 20.791 1030 HG2 GLN 64 HG2 GLN 64 23.211 22.137 19.674 1031 HG3 GLN 64 HG3 GLN 64 24.944 22.243 19.469 1032 HE21 GLN 64 HE21 GLN 64 22.970 20.281 20.928 1033 HE22 GLN 64 HE22 GLN 64 23.844 19.981 22.436 1034 H ASN 65 H ASN 65 21.036 26.166 21.309 1035 HA ASN 65 HA ASN 65 22.580 28.671 21.156 1036 HB2 ASN 65 HB2 ASN 65 20.378 28.322 20.008 1037 HB3 ASN 65 HB3 ASN 65 19.594 28.134 21.569 1038 HD21 ASN 65 HD21 ASN 65 19.693 30.285 19.181 1039 HD22 ASN 65 HD22 ASN 65 19.635 31.750 20.160 1040 H ARG 66 H ARG 66 20.727 26.816 23.528 1041 HA ARG 66 HA ARG 66 21.214 28.688 25.759 1042 HB2 ARG 66 HB2 ARG 66 19.750 26.033 25.533 1043 HB3 ARG 66 HB3 ARG 66 19.876 26.978 27.025 1044 HG2 ARG 66 HG2 ARG 66 18.709 28.865 26.019 1045 HG3 ARG 66 HG3 ARG 66 18.649 28.066 24.450 1046 HD2 ARG 66 HD2 ARG 66 17.258 26.262 25.387 1047 HD3 ARG 66 HD3 ARG 66 17.313 27.026 26.970 1048 HE ARG 66 HE ARG 66 15.851 27.962 24.559 1049 HH11 ARG 66 HH11 ARG 66 16.613 28.691 27.909 1050 HH12 ARG 66 HH12 ARG 66 15.355 29.897 28.007 1051 HH21 ARG 66 HH21 ARG 66 14.295 29.413 24.762 1052 HH22 ARG 66 HH22 ARG 66 14.040 30.286 26.268 Start of MODEL 9 1 H1 GLY -3 H1 GLY -3 5.009 3.939 -3.962 2 H2 GLY -3 H2 GLY -3 5.867 4.951 -3.008 3 H3 GLY -3 H3 GLY -3 6.589 4.228 -4.294 4 HA2 GLY -3 HA2 GLY -3 6.160 6.514 -4.820 5 HA3 GLY -3 HA3 GLY -3 5.192 5.436 -5.842 6 HA PRO -2 HA PRO -2 1.869 8.112 -4.332 7 HB2 PRO -2 HB2 PRO -2 -0.281 6.823 -5.450 8 HB3 PRO -2 HB3 PRO -2 0.860 7.855 -6.370 9 HG2 PRO -2 HG2 PRO -2 0.907 4.830 -6.086 10 HG3 PRO -2 HG3 PRO -2 0.995 5.798 -7.590 11 HD2 PRO -2 HD2 PRO -2 3.236 4.860 -6.400 12 HD3 PRO -2 HD3 PRO -2 3.219 6.499 -7.108 13 H GLY -1 H GLY -1 0.695 8.117 -2.483 14 HA2 GLY -1 HA2 GLY -1 -0.392 7.409 -0.574 15 HA3 GLY -1 HA3 GLY -1 -0.453 5.765 -1.213 16 H SER 0 H SER 0 2.793 6.826 -1.219 17 HA SER 0 HA SER 0 3.302 6.129 1.624 18 HB2 SER 0 HB2 SER 0 5.073 4.586 1.091 19 HB3 SER 0 HB3 SER 0 3.533 4.027 0.422 20 HG SER 0 HG SER 0 5.270 3.794 -1.032 21 H MET 1 H MET 1 4.709 7.427 -1.409 22 HA MET 1 HA MET 1 6.578 9.166 0.113 23 HB2 MET 1 HB2 MET 1 5.879 9.028 -2.855 24 HB3 MET 1 HB3 MET 1 7.021 10.157 -2.130 25 HG2 MET 1 HG2 MET 1 8.413 8.291 -1.332 26 HG3 MET 1 HG3 MET 1 7.278 7.131 -2.016 27 HE1 MET 1 HE1 MET 1 10.084 9.898 -4.469 28 HE2 MET 1 HE2 MET 1 8.714 10.569 -3.574 29 HE3 MET 1 HE3 MET 1 10.060 9.794 -2.695 30 H CYS 2 H CYS 2 6.432 11.449 0.063 31 HA CYS 2 HA CYS 2 4.022 12.769 -0.904 32 HB2 CYS 2 HB2 CYS 2 3.480 11.884 1.396 33 HB3 CYS 2 HB3 CYS 2 4.730 12.927 2.055 34 H MET 3 H MET 3 4.239 15.236 -0.326 35 HA MET 3 HA MET 3 6.992 16.271 -0.345 36 HB2 MET 3 HB2 MET 3 6.782 17.311 -2.541 37 HB3 MET 3 HB3 MET 3 6.635 15.546 -2.665 38 HG2 MET 3 HG2 MET 3 4.067 15.962 -2.567 39 HG3 MET 3 HG3 MET 3 4.454 17.641 -2.941 40 HE1 MET 3 HE1 MET 3 6.879 17.411 -4.995 41 HE2 MET 3 HE2 MET 3 5.986 17.371 -6.531 42 HE3 MET 3 HE3 MET 3 5.444 18.448 -5.228 43 H ALA 4 H ALA 4 7.065 18.590 -0.247 44 HA ALA 4 HA ALA 4 4.582 19.934 0.762 45 HB1 ALA 4 HB1 ALA 4 7.295 19.755 2.151 46 HB2 ALA 4 HB2 ALA 4 5.891 20.653 2.756 47 HB3 ALA 4 HB3 ALA 4 5.818 18.898 2.649 48 H LYS 5 H LYS 5 5.300 22.298 1.441 49 HA LYS 5 HA LYS 5 7.370 23.380 -0.397 50 HB2 LYS 5 HB2 LYS 5 6.197 25.405 -0.806 51 HB3 LYS 5 HB3 LYS 5 5.204 24.053 -1.340 52 HG2 LYS 5 HG2 LYS 5 3.738 24.302 0.616 53 HG3 LYS 5 HG3 LYS 5 4.813 25.541 1.306 54 HD2 LYS 5 HD2 LYS 5 4.435 26.970 -0.713 55 HD3 LYS 5 HD3 LYS 5 3.256 25.782 -1.301 56 HE2 LYS 5 HE2 LYS 5 1.844 26.154 0.659 57 HE3 LYS 5 HE3 LYS 5 3.076 27.195 1.402 58 HZ1 LYS 5 HZ1 LYS 5 1.383 28.526 0.333 59 HZ2 LYS 5 HZ2 LYS 5 2.815 28.743 -0.445 60 HZ3 LYS 5 HZ3 LYS 5 1.635 27.820 -1.121 61 H VAL 6 H VAL 6 8.607 25.032 0.349 62 HA VAL 6 HA VAL 6 8.621 25.482 3.315 63 HB VAL 6 HB VAL 6 10.792 25.539 1.248 64 HG11 VAL 6 HG11 VAL 6 12.330 26.492 2.954 65 HG12 VAL 6 HG12 VAL 6 11.162 27.664 2.374 66 HG13 VAL 6 HG13 VAL 6 10.934 26.895 3.969 67 HG21 VAL 6 HG21 VAL 6 10.709 24.401 4.064 68 HG22 VAL 6 HG22 VAL 6 10.242 23.475 2.618 69 HG23 VAL 6 HG23 VAL 6 11.901 24.075 2.797 70 H VAL 7 H VAL 7 8.460 27.516 4.164 71 HA VAL 7 HA VAL 7 8.322 29.846 2.327 72 HB VAL 7 HB VAL 7 6.026 29.289 2.772 73 HG11 VAL 7 HG11 VAL 7 6.600 29.565 5.749 74 HG12 VAL 7 HG12 VAL 7 5.014 29.339 4.989 75 HG13 VAL 7 HG13 VAL 7 6.217 28.050 4.890 76 HG21 VAL 7 HG21 VAL 7 6.716 31.719 2.708 77 HG22 VAL 7 HG22 VAL 7 5.235 31.410 3.619 78 HG23 VAL 7 HG23 VAL 7 6.749 31.703 4.488 79 H LEU 8 H LEU 8 9.281 31.637 2.934 80 HA LEU 8 HA LEU 8 10.132 32.158 5.693 81 HB2 LEU 8 HB2 LEU 8 12.489 32.270 5.232 82 HB3 LEU 8 HB3 LEU 8 11.900 30.709 4.724 83 HG LEU 8 HG LEU 8 11.711 32.006 2.338 84 HD11 LEU 8 HD11 LEU 8 13.802 33.336 2.031 85 HD12 LEU 8 HD12 LEU 8 12.693 34.128 3.151 86 HD13 LEU 8 HD13 LEU 8 14.106 33.254 3.774 87 HD21 LEU 8 HD21 LEU 8 12.853 29.885 2.668 88 HD22 LEU 8 HD22 LEU 8 13.855 30.993 1.727 89 HD23 LEU 8 HD23 LEU 8 14.225 30.710 3.437 90 H THR 9 H THR 9 11.101 34.357 5.898 91 HA THR 9 HA THR 9 10.570 36.211 3.634 92 HB THR 9 HB THR 9 9.536 36.736 6.436 93 HG1 THR 9 HG1 THR 9 8.204 35.319 5.331 94 HG21 THR 9 HG21 THR 9 9.286 38.376 3.876 95 HG22 THR 9 HG22 THR 9 8.436 38.692 5.399 96 HG23 THR 9 HG23 THR 9 10.202 38.836 5.333 97 H LYS 10 H LYS 10 12.164 37.609 3.326 98 HA LYS 10 HA LYS 10 14.614 37.524 4.836 99 HB2 LYS 10 HB2 LYS 10 13.628 39.517 2.754 100 HB3 LYS 10 HB3 LYS 10 15.295 39.369 3.301 101 HG2 LYS 10 HG2 LYS 10 15.440 37.085 2.388 102 HG3 LYS 10 HG3 LYS 10 13.743 37.172 1.870 103 HD2 LYS 10 HD2 LYS 10 14.355 39.211 0.469 104 HD3 LYS 10 HD3 LYS 10 16.062 38.862 0.854 105 HE2 LYS 10 HE2 LYS 10 15.720 36.540 -0.069 106 HE3 LYS 10 HE3 LYS 10 14.066 37.017 -0.527 107 HZ1 LYS 10 HZ1 LYS 10 16.551 38.279 -1.558 108 HZ2 LYS 10 HZ2 LYS 10 15.618 37.246 -2.393 109 HZ3 LYS 10 HZ3 LYS 10 15.033 38.710 -1.980 110 H ALA 11 H ALA 11 15.738 39.358 5.763 111 HA ALA 11 HA ALA 11 14.315 40.887 7.721 112 HB1 ALA 11 HB1 ALA 11 16.708 40.256 7.887 113 HB2 ALA 11 HB2 ALA 11 17.083 41.323 6.506 114 HB3 ALA 11 HB3 ALA 11 16.486 42.009 8.030 115 H ASP 12 H ASP 12 15.099 41.559 4.338 116 HA ASP 12 HA ASP 12 14.342 44.366 4.349 117 HB2 ASP 12 HB2 ASP 12 14.751 42.296 2.155 118 HB3 ASP 12 HB3 ASP 12 14.491 44.012 1.872 119 H GLY 13 H GLY 13 12.415 41.648 4.761 120 HA2 GLY 13 HA2 GLY 13 10.099 41.554 4.898 121 HA3 GLY 13 HA3 GLY 13 9.951 43.054 3.985 122 H GLY 14 H GLY 14 12.025 40.864 2.348 123 HA2 GLY 14 HA2 GLY 14 10.075 40.406 0.208 124 HA3 GLY 14 HA3 GLY 14 11.754 39.890 0.271 125 H ARG 15 H ARG 15 8.531 38.835 0.545 126 HA ARG 15 HA ARG 15 9.031 36.355 2.029 127 HB2 ARG 15 HB2 ARG 15 6.862 37.456 2.068 128 HB3 ARG 15 HB3 ARG 15 6.674 37.234 0.321 129 HG2 ARG 15 HG2 ARG 15 6.579 34.811 0.584 130 HG3 ARG 15 HG3 ARG 15 6.998 34.930 2.306 131 HD2 ARG 15 HD2 ARG 15 4.933 36.128 2.779 132 HD3 ARG 15 HD3 ARG 15 4.516 36.183 1.062 133 HE ARG 15 HE ARG 15 4.555 33.574 1.234 134 HH11 ARG 15 HH11 ARG 15 3.255 35.645 3.766 135 HH12 ARG 15 HH12 ARG 15 2.089 34.431 4.236 136 HH21 ARG 15 HH21 ARG 15 3.140 32.168 1.844 137 HH22 ARG 15 HH22 ARG 15 2.023 32.464 3.183 138 H VAL 16 H VAL 16 9.475 34.389 1.294 139 HA VAL 16 HA VAL 16 9.769 33.850 -1.630 140 HB VAL 16 HB VAL 16 11.867 33.352 0.510 141 HG11 VAL 16 HG11 VAL 16 11.870 31.445 -1.027 142 HG12 VAL 16 HG12 VAL 16 11.885 32.559 -2.421 143 HG13 VAL 16 HG13 VAL 16 13.273 32.454 -1.327 144 HG21 VAL 16 HG21 VAL 16 11.929 35.130 -1.957 145 HG22 VAL 16 HG22 VAL 16 11.959 35.656 -0.251 146 HG23 VAL 16 HG23 VAL 16 13.322 34.769 -0.920 147 H GLU 17 H GLU 17 9.190 31.838 -2.238 148 HA GLU 17 HA GLU 17 8.741 29.740 -0.184 149 HB2 GLU 17 HB2 GLU 17 6.699 30.543 -2.284 150 HB3 GLU 17 HB3 GLU 17 6.634 29.073 -1.294 151 HG2 GLU 17 HG2 GLU 17 6.644 30.473 0.752 152 HG3 GLU 17 HG3 GLU 17 6.584 31.933 -0.239 153 H ILE 18 H ILE 18 9.063 27.671 -0.815 154 HA ILE 18 HA ILE 18 10.236 27.192 -3.540 155 HB ILE 18 HB ILE 18 11.153 26.048 -0.882 156 HG12 ILE 18 HG12 ILE 18 12.767 27.836 -2.754 157 HG13 ILE 18 HG13 ILE 18 11.857 28.465 -1.371 158 HG21 ILE 18 HG21 ILE 18 11.330 24.395 -2.720 159 HG22 ILE 18 HG22 ILE 18 12.249 25.554 -3.693 160 HG23 ILE 18 HG23 ILE 18 12.919 24.909 -2.192 161 HD11 ILE 18 HD11 ILE 18 13.148 26.980 0.158 162 HD12 ILE 18 HD12 ILE 18 14.144 26.479 -1.223 163 HD13 ILE 18 HD13 ILE 18 14.139 28.164 -0.704 164 H GLY 19 H GLY 19 9.029 25.810 -4.643 165 HA2 GLY 19 HA2 GLY 19 7.019 24.093 -3.335 166 HA3 GLY 19 HA3 GLY 19 7.203 24.387 -5.061 167 H ASP 20 H ASP 20 6.655 21.918 -4.193 168 HA ASP 20 HA ASP 20 7.198 19.743 -4.273 169 HB2 ASP 20 HB2 ASP 20 9.334 20.460 -6.279 170 HB3 ASP 20 HB3 ASP 20 8.350 19.012 -6.187 171 H VAL 21 H VAL 21 8.433 20.924 -2.075 172 HA VAL 21 HA VAL 21 11.207 20.104 -1.785 173 HB VAL 21 HB VAL 21 9.144 20.904 0.295 174 HG11 VAL 21 HG11 VAL 21 12.158 20.504 0.545 175 HG12 VAL 21 HG12 VAL 21 11.110 21.275 1.752 176 HG13 VAL 21 HG13 VAL 21 10.890 19.572 1.381 177 HG21 VAL 21 HG21 VAL 21 10.418 23.033 0.282 178 HG22 VAL 21 HG22 VAL 21 11.460 22.411 -1.004 179 HG23 VAL 21 HG23 VAL 21 9.738 22.706 -1.308 180 H LEU 22 H LEU 22 12.003 18.183 -1.329 181 HA LEU 22 HA LEU 22 10.148 15.977 -0.590 182 HB2 LEU 22 HB2 LEU 22 11.402 16.045 -2.859 183 HB3 LEU 22 HB3 LEU 22 12.853 15.697 -1.919 184 HG LEU 22 HG LEU 22 11.606 13.646 -1.008 185 HD11 LEU 22 HD11 LEU 22 9.680 14.407 -3.238 186 HD12 LEU 22 HD12 LEU 22 9.753 12.799 -2.491 187 HD13 LEU 22 HD13 LEU 22 9.311 14.193 -1.522 188 HD21 LEU 22 HD21 LEU 22 12.063 12.272 -2.947 189 HD22 LEU 22 HD22 LEU 22 12.065 13.684 -4.006 190 HD23 LEU 22 HD23 LEU 22 13.334 13.498 -2.784 191 H GLU 23 H GLU 23 13.108 17.622 0.390 192 HA GLU 23 HA GLU 23 12.648 16.614 3.052 193 HB2 GLU 23 HB2 GLU 23 14.864 15.720 3.509 194 HB3 GLU 23 HB3 GLU 23 14.049 14.768 2.279 195 HG2 GLU 23 HG2 GLU 23 15.375 15.899 0.508 196 HG3 GLU 23 HG3 GLU 23 16.208 16.846 1.747 197 H VAL 24 H VAL 24 13.851 17.700 4.697 198 HA VAL 24 HA VAL 24 15.345 20.153 3.967 199 HB VAL 24 HB VAL 24 13.055 20.115 5.963 200 HG11 VAL 24 HG11 VAL 24 13.399 22.567 6.088 201 HG12 VAL 24 HG12 VAL 24 14.811 21.689 6.660 202 HG13 VAL 24 HG13 VAL 24 14.825 22.423 5.046 203 HG21 VAL 24 HG21 VAL 24 11.974 21.765 4.428 204 HG22 VAL 24 HG22 VAL 24 13.254 21.439 3.239 205 HG23 VAL 24 HG23 VAL 24 12.128 20.151 3.723 206 H ARG 25 H ARG 25 16.957 20.700 5.371 207 HA ARG 25 HA ARG 25 17.393 19.091 7.880 208 HB2 ARG 25 HB2 ARG 25 19.368 19.886 5.718 209 HB3 ARG 25 HB3 ARG 25 19.873 19.523 7.374 210 HG2 ARG 25 HG2 ARG 25 18.953 17.251 7.206 211 HG3 ARG 25 HG3 ARG 25 18.386 17.588 5.558 212 HD2 ARG 25 HD2 ARG 25 20.508 16.353 5.486 213 HD3 ARG 25 HD3 ARG 25 20.690 17.966 4.810 214 HE ARG 25 HE ARG 25 21.935 18.686 6.722 215 HH11 ARG 25 HH11 ARG 25 21.295 15.247 6.931 216 HH12 ARG 25 HH12 ARG 25 22.440 15.029 8.235 217 HH21 ARG 25 HH21 ARG 25 23.301 18.381 8.383 218 HH22 ARG 25 HH22 ARG 25 23.569 16.772 9.009 219 H ALA 26 H ALA 26 18.319 20.119 9.590 220 HA ALA 26 HA ALA 26 19.010 23.014 9.339 221 HB1 ALA 26 HB1 ALA 26 18.415 23.291 11.686 222 HB2 ALA 26 HB2 ALA 26 17.019 22.692 10.777 223 HB3 ALA 26 HB3 ALA 26 17.956 21.585 11.804 224 H GLU 27 H GLU 27 20.966 23.603 10.021 225 HA GLU 27 HA GLU 27 22.914 21.468 10.820 226 HB2 GLU 27 HB2 GLU 27 23.488 24.022 9.296 227 HB3 GLU 27 HB3 GLU 27 24.583 22.660 9.550 228 HG2 GLU 27 HG2 GLU 27 22.045 22.654 7.855 229 HG3 GLU 27 HG3 GLU 27 23.684 22.788 7.261 230 H GLY 28 H GLY 28 21.239 23.527 12.424 231 HA2 GLY 28 HA2 GLY 28 21.493 24.320 14.592 232 HA3 GLY 28 HA3 GLY 28 23.237 24.073 14.497 233 H GLY 29 H GLY 29 23.720 25.704 12.162 234 HA2 GLY 29 HA2 GLY 29 23.035 28.485 13.090 235 HA3 GLY 29 HA3 GLY 29 24.508 28.031 12.241 236 H ALA 30 H ALA 30 22.081 26.312 10.760 237 HA ALA 30 HA ALA 30 21.101 28.325 8.864 238 HB1 ALA 30 HB1 ALA 30 22.291 27.345 6.930 239 HB2 ALA 30 HB2 ALA 30 23.487 27.898 8.120 240 HB3 ALA 30 HB3 ALA 30 23.107 26.169 7.986 241 H VAL 31 H VAL 31 19.796 27.287 7.131 242 HA VAL 31 HA VAL 31 19.124 24.405 7.579 243 HB VAL 31 HB VAL 31 16.855 24.673 6.829 244 HG11 VAL 31 HG11 VAL 31 17.414 26.578 9.103 245 HG12 VAL 31 HG12 VAL 31 15.882 25.740 8.752 246 HG13 VAL 31 HG13 VAL 31 17.316 24.811 9.237 247 HG21 VAL 31 HG21 VAL 31 15.791 26.867 6.636 248 HG22 VAL 31 HG22 VAL 31 17.372 27.661 6.780 249 HG23 VAL 31 HG23 VAL 31 17.006 26.623 5.377 250 H ARG 32 H ARG 32 18.433 23.235 5.774 251 HA ARG 32 HA ARG 32 19.196 24.247 3.077 252 HB2 ARG 32 HB2 ARG 32 20.193 21.731 4.453 253 HB3 ARG 32 HB3 ARG 32 20.205 21.903 2.702 254 HG2 ARG 32 HG2 ARG 32 21.748 23.740 2.755 255 HG3 ARG 32 HG3 ARG 32 21.570 23.940 4.509 256 HD2 ARG 32 HD2 ARG 32 23.689 22.853 3.977 257 HD3 ARG 32 HD3 ARG 32 22.625 21.823 4.942 258 HE ARG 32 HE ARG 32 22.706 21.475 1.960 259 HH11 ARG 32 HH11 ARG 32 23.242 19.939 5.117 260 HH12 ARG 32 HH12 ARG 32 23.654 18.436 4.332 261 HH21 ARG 32 HH21 ARG 32 23.036 19.612 1.147 262 HH22 ARG 32 HH22 ARG 32 23.518 18.211 2.112 263 H VAL 33 H VAL 33 17.857 23.695 1.534 264 HA VAL 33 HA VAL 33 15.534 21.860 2.091 265 HB VAL 33 HB VAL 33 15.621 24.476 0.546 266 HG11 VAL 33 HG11 VAL 33 13.967 22.968 -0.458 267 HG12 VAL 33 HG12 VAL 33 13.287 22.625 1.152 268 HG13 VAL 33 HG13 VAL 33 13.142 24.251 0.437 269 HG21 VAL 33 HG21 VAL 33 14.165 25.374 2.284 270 HG22 VAL 33 HG22 VAL 33 14.277 23.852 3.189 271 HG23 VAL 33 HG23 VAL 33 15.708 24.876 2.972 272 H THR 34 H THR 34 15.203 20.263 0.621 273 HA THR 34 HA THR 34 16.582 20.438 -2.037 274 HB THR 34 HB THR 34 16.355 17.991 -0.267 275 HG1 THR 34 HG1 THR 34 17.949 19.415 0.398 276 HG21 THR 34 HG21 THR 34 17.590 18.377 -3.040 277 HG22 THR 34 HG22 THR 34 17.875 16.963 -2.001 278 HG23 THR 34 HG23 THR 34 16.253 17.289 -2.606 279 H THR 35 H THR 35 15.364 20.120 -3.781 280 HA THR 35 HA THR 35 12.512 19.486 -3.406 281 HB THR 35 HB THR 35 12.128 20.269 -5.587 282 HG1 THR 35 HG1 THR 35 13.826 20.836 -6.969 283 HG21 THR 35 HG21 THR 35 12.584 22.044 -3.915 284 HG22 THR 35 HG22 THR 35 14.283 22.105 -4.467 285 HG23 THR 35 HG23 THR 35 12.957 22.524 -5.582 286 H LEU 36 H LEU 36 11.376 18.132 -4.901 287 HA LEU 36 HA LEU 36 12.223 15.460 -5.235 288 HB2 LEU 36 HB2 LEU 36 9.914 16.240 -5.112 289 HB3 LEU 36 HB3 LEU 36 10.117 17.215 -6.563 290 HG LEU 36 HG LEU 36 10.223 15.226 -7.965 291 HD11 LEU 36 HD11 LEU 36 9.761 12.987 -7.069 292 HD12 LEU 36 HD12 LEU 36 11.264 13.616 -6.381 293 HD13 LEU 36 HD13 LEU 36 9.778 13.615 -5.411 294 HD21 LEU 36 HD21 LEU 36 7.920 15.138 -5.969 295 HD22 LEU 36 HD22 LEU 36 8.031 16.211 -7.383 296 HD23 LEU 36 HD23 LEU 36 7.911 14.464 -7.612 297 H PHE 37 H PHE 37 12.985 18.213 -7.173 298 HA PHE 37 HA PHE 37 13.960 16.529 -9.422 299 HB2 PHE 37 HB2 PHE 37 13.222 19.465 -9.439 300 HB3 PHE 37 HB3 PHE 37 13.717 18.488 -10.827 301 HD1 PHE 37 HD1 PHE 37 12.272 16.460 -11.464 302 HD2 PHE 37 HD2 PHE 37 10.921 19.499 -8.708 303 HE1 PHE 37 HE1 PHE 37 9.942 15.619 -11.669 304 HE2 PHE 37 HE2 PHE 37 8.596 18.668 -8.944 305 HZ PHE 37 HZ PHE 37 8.102 16.717 -10.410 306 H ASP 38 H ASP 38 15.302 17.109 -6.812 307 HA ASP 38 HA ASP 38 17.348 17.283 -6.016 308 HB2 ASP 38 HB2 ASP 38 18.323 16.863 -8.851 309 HB3 ASP 38 HB3 ASP 38 19.245 16.589 -7.371 310 H GLU 39 H GLU 39 16.121 19.868 -6.975 311 HA GLU 39 HA GLU 39 18.521 21.605 -7.188 312 HB2 GLU 39 HB2 GLU 39 15.607 22.327 -6.659 313 HB3 GLU 39 HB3 GLU 39 16.920 23.459 -6.912 314 HG2 GLU 39 HG2 GLU 39 15.823 21.483 -8.952 315 HG3 GLU 39 HG3 GLU 39 15.571 23.224 -8.926 316 H GLU 40 H GLU 40 19.428 22.715 -5.493 317 HA GLU 40 HA GLU 40 18.431 22.130 -2.736 318 HB2 GLU 40 HB2 GLU 40 20.354 20.713 -3.225 319 HB3 GLU 40 HB3 GLU 40 21.314 22.141 -3.656 320 HG2 GLU 40 HG2 GLU 40 21.168 22.995 -1.366 321 HG3 GLU 40 HG3 GLU 40 20.078 21.672 -0.909 322 H HIS 41 H HIS 41 18.280 23.754 -1.395 323 HA HIS 41 HA HIS 41 19.389 26.450 -2.080 324 HB2 HIS 41 HB2 HIS 41 16.666 25.938 -0.836 325 HB3 HIS 41 HB3 HIS 41 17.318 27.466 -1.409 326 HD2 HIS 41 HD2 HIS 41 15.514 24.313 -2.555 327 HE1 HIS 41 HE1 HIS 41 15.987 26.694 -6.069 328 HE2 HIS 41 HE2 HIS 41 14.876 24.614 -5.099 329 H ALA 42 H ALA 42 20.156 27.646 -0.319 330 HA ALA 42 HA ALA 42 20.014 26.382 2.374 331 HB1 ALA 42 HB1 ALA 42 22.444 26.670 2.649 332 HB2 ALA 42 HB2 ALA 42 22.091 25.623 1.257 333 HB3 ALA 42 HB3 ALA 42 22.579 27.318 1.004 334 H PHE 43 H PHE 43 20.002 27.681 4.109 335 HA PHE 43 HA PHE 43 20.100 30.650 3.728 336 HB2 PHE 43 HB2 PHE 43 17.798 29.139 4.992 337 HB3 PHE 43 HB3 PHE 43 17.973 30.880 4.844 338 HD1 PHE 43 HD1 PHE 43 16.940 27.803 3.195 339 HD2 PHE 43 HD2 PHE 43 17.909 31.961 2.554 340 HE1 PHE 43 HE1 PHE 43 15.888 27.701 0.956 341 HE2 PHE 43 HE2 PHE 43 16.857 31.859 0.306 342 HZ PHE 43 HZ PHE 43 15.852 29.731 -0.503 343 HA PRO 44 HA PRO 44 22.335 29.797 7.645 344 HB2 PRO 44 HB2 PRO 44 23.524 32.407 6.777 345 HB3 PRO 44 HB3 PRO 44 24.336 30.980 7.512 346 HG2 PRO 44 HG2 PRO 44 24.569 31.462 4.855 347 HG3 PRO 44 HG3 PRO 44 24.258 29.787 5.424 348 HD2 PRO 44 HD2 PRO 44 22.252 31.813 4.380 349 HD3 PRO 44 HD3 PRO 44 22.463 30.092 3.922 350 H GLY 45 H GLY 45 21.851 30.659 9.621 351 HA2 GLY 45 HA2 GLY 45 21.055 32.149 11.222 352 HA3 GLY 45 HA3 GLY 45 20.737 33.341 9.951 353 H LEU 46 H LEU 46 19.190 30.550 8.981 354 HA LEU 46 HA LEU 46 16.666 31.184 10.443 355 HB2 LEU 46 HB2 LEU 46 17.043 29.681 7.831 356 HB3 LEU 46 HB3 LEU 46 15.509 29.958 8.643 357 HG LEU 46 HG LEU 46 17.275 32.046 7.335 358 HD11 LEU 46 HD11 LEU 46 15.821 30.597 5.871 359 HD12 LEU 46 HD12 LEU 46 14.413 31.183 6.779 360 HD13 LEU 46 HD13 LEU 46 15.387 32.315 5.821 361 HD21 LEU 46 HD21 LEU 46 15.449 33.674 7.852 362 HD22 LEU 46 HD22 LEU 46 14.684 32.446 8.895 363 HD23 LEU 46 HD23 LEU 46 16.282 33.104 9.302 364 H ALA 47 H ALA 47 15.342 29.380 11.019 365 HA ALA 47 HA ALA 47 16.572 26.691 11.267 366 HB1 ALA 47 HB1 ALA 47 15.680 26.495 13.581 367 HB2 ALA 47 HB2 ALA 47 16.985 27.670 13.433 368 HB3 ALA 47 HB3 ALA 47 15.296 28.236 13.559 369 H ILE 48 H ILE 48 14.988 24.986 11.516 370 HA ILE 48 HA ILE 48 12.483 25.409 10.082 371 HB ILE 48 HB ILE 48 13.406 22.997 11.681 372 HG12 ILE 48 HG12 ILE 48 13.599 23.370 8.666 373 HG13 ILE 48 HG13 ILE 48 14.958 23.610 9.760 374 HG21 ILE 48 HG21 ILE 48 11.704 21.775 10.352 375 HG22 ILE 48 HG22 ILE 48 10.958 23.063 11.272 376 HG23 ILE 48 HG23 ILE 48 11.254 23.281 9.540 377 HD11 ILE 48 HD11 ILE 48 13.513 20.983 9.265 378 HD12 ILE 48 HD12 ILE 48 15.197 21.412 8.911 379 HD13 ILE 48 HD13 ILE 48 14.673 21.239 10.591 380 H GLY 49 H GLY 49 10.913 26.578 11.076 381 HA2 GLY 49 HA2 GLY 49 10.764 26.765 14.018 382 HA3 GLY 49 HA3 GLY 49 9.894 27.732 12.821 383 H ARG 50 H ARG 50 8.618 25.777 11.328 384 HA ARG 50 HA ARG 50 7.097 23.986 13.110 385 HB2 ARG 50 HB2 ARG 50 5.733 26.223 11.531 386 HB3 ARG 50 HB3 ARG 50 4.912 24.797 12.129 387 HG2 ARG 50 HG2 ARG 50 4.364 26.123 13.829 388 HG3 ARG 50 HG3 ARG 50 5.873 25.504 14.478 389 HD2 ARG 50 HD2 ARG 50 7.015 27.624 13.741 390 HD3 ARG 50 HD3 ARG 50 5.491 28.176 13.051 391 HE ARG 50 HE ARG 50 4.706 28.711 15.154 392 HH11 ARG 50 HH11 ARG 50 7.613 26.740 15.714 393 HH12 ARG 50 HH12 ARG 50 7.451 27.004 17.458 394 HH21 ARG 50 HH21 ARG 50 4.715 28.916 17.405 395 HH22 ARG 50 HH22 ARG 50 5.960 28.024 18.303 396 H VAL 51 H VAL 51 6.064 22.340 12.101 397 HA VAL 51 HA VAL 51 6.327 21.973 9.131 398 HB VAL 51 HB VAL 51 6.914 19.899 11.288 399 HG11 VAL 51 HG11 VAL 51 5.897 18.823 9.350 400 HG12 VAL 51 HG12 VAL 51 7.007 19.679 8.254 401 HG13 VAL 51 HG13 VAL 51 7.612 18.452 9.384 402 HG21 VAL 51 HG21 VAL 51 8.804 21.470 11.059 403 HG22 VAL 51 HG22 VAL 51 9.203 19.869 10.468 404 HG23 VAL 51 HG23 VAL 51 8.848 21.174 9.311 405 H ASP 52 H ASP 52 4.378 21.462 8.267 406 HA ASP 52 HA ASP 52 2.286 20.126 9.964 407 HB2 ASP 52 HB2 ASP 52 1.822 22.507 9.836 408 HB3 ASP 52 HB3 ASP 52 1.946 22.476 8.077 409 H LEU 53 H LEU 53 2.016 18.173 9.213 410 HA LEU 53 HA LEU 53 2.756 17.366 6.499 411 HB2 LEU 53 HB2 LEU 53 1.502 15.825 8.821 412 HB3 LEU 53 HB3 LEU 53 2.050 15.142 7.313 413 HG LEU 53 HG LEU 53 3.660 14.599 8.870 414 HD11 LEU 53 HD11 LEU 53 4.848 17.015 7.447 415 HD12 LEU 53 HD12 LEU 53 5.724 15.620 8.088 416 HD13 LEU 53 HD13 LEU 53 4.611 15.409 6.723 417 HD21 LEU 53 HD21 LEU 53 3.986 17.471 9.796 418 HD22 LEU 53 HD22 LEU 53 3.114 16.187 10.654 419 HD23 LEU 53 HD23 LEU 53 4.846 16.039 10.370 420 H ARG 54 H ARG 54 -0.204 18.309 8.076 421 HA ARG 54 HA ARG 54 -1.997 16.903 6.182 422 HB2 ARG 54 HB2 ARG 54 -2.509 17.248 8.607 423 HB3 ARG 54 HB3 ARG 54 -2.635 18.991 8.317 424 HG2 ARG 54 HG2 ARG 54 -4.531 18.621 6.780 425 HG3 ARG 54 HG3 ARG 54 -4.311 16.868 6.906 426 HD2 ARG 54 HD2 ARG 54 -6.166 17.509 8.308 427 HD3 ARG 54 HD3 ARG 54 -4.826 16.963 9.331 428 HE ARG 54 HE ARG 54 -4.673 19.807 9.001 429 HH11 ARG 54 HH11 ARG 54 -6.680 17.474 10.676 430 HH12 ARG 54 HH12 ARG 54 -7.123 18.615 11.917 431 HH21 ARG 54 HH21 ARG 54 -5.272 21.208 10.609 432 HH22 ARG 54 HH22 ARG 54 -6.336 20.675 11.878 433 H SER 55 H SER 55 -0.904 20.252 6.790 434 HA SER 55 HA SER 55 -2.180 21.284 4.345 435 HB2 SER 55 HB2 SER 55 -0.073 22.549 6.128 436 HB3 SER 55 HB3 SER 55 -0.968 23.351 4.825 437 HG SER 55 HG SER 55 -1.752 22.691 7.400 438 H GLY 56 H GLY 56 0.976 19.903 5.130 439 HA2 GLY 56 HA2 GLY 56 2.724 19.274 3.734 440 HA3 GLY 56 HA3 GLY 56 1.835 19.866 2.324 441 H VAL 57 H VAL 57 2.941 21.513 5.337 442 HA VAL 57 HA VAL 57 4.503 23.476 3.700 443 HB VAL 57 HB VAL 57 2.431 24.208 5.793 444 HG11 VAL 57 HG11 VAL 57 4.347 25.965 4.183 445 HG12 VAL 57 HG12 VAL 57 2.978 26.566 5.146 446 HG13 VAL 57 HG13 VAL 57 4.314 25.765 5.953 447 HG21 VAL 57 HG21 VAL 57 1.379 23.669 3.636 448 HG22 VAL 57 HG22 VAL 57 1.344 25.409 3.907 449 HG23 VAL 57 HG23 VAL 57 2.540 24.716 2.793 450 H ILE 58 H ILE 58 6.348 24.177 4.537 451 HA ILE 58 HA ILE 58 7.040 23.586 7.394 452 HB ILE 58 HB ILE 58 8.780 23.371 4.915 453 HG12 ILE 58 HG12 ILE 58 8.110 21.268 7.012 454 HG13 ILE 58 HG13 ILE 58 7.261 21.412 5.478 455 HG21 ILE 58 HG21 ILE 58 9.554 23.177 7.870 456 HG22 ILE 58 HG22 ILE 58 10.626 22.761 6.522 457 HG23 ILE 58 HG23 ILE 58 10.102 24.421 6.732 458 HD11 ILE 58 HD11 ILE 58 10.183 20.697 5.799 459 HD12 ILE 58 HD12 ILE 58 8.852 19.674 5.252 460 HD13 ILE 58 HD13 ILE 58 9.377 21.033 4.242 461 H SER 59 H SER 59 7.255 25.382 8.512 462 HA SER 59 HA SER 59 7.708 27.995 7.128 463 HB2 SER 59 HB2 SER 59 6.731 27.420 9.953 464 HB3 SER 59 HB3 SER 59 6.806 28.998 9.162 465 HG SER 59 HG SER 59 5.189 28.376 7.755 466 H LEU 60 H LEU 60 9.688 28.827 7.164 467 HA LEU 60 HA LEU 60 11.636 28.027 9.248 468 HB2 LEU 60 HB2 LEU 60 11.960 29.801 6.813 469 HB3 LEU 60 HB3 LEU 60 13.248 29.250 7.884 470 HG LEU 60 HG LEU 60 11.532 27.468 6.089 471 HD11 LEU 60 HD11 LEU 60 13.093 28.756 4.781 472 HD12 LEU 60 HD12 LEU 60 14.407 28.439 5.906 473 HD13 LEU 60 HD13 LEU 60 13.743 27.112 4.923 474 HD21 LEU 60 HD21 LEU 60 13.801 26.769 7.990 475 HD22 LEU 60 HD22 LEU 60 12.123 26.171 7.996 476 HD23 LEU 60 HD23 LEU 60 13.213 25.705 6.695 477 H ILE 61 H ILE 61 12.615 29.428 10.644 478 HA ILE 61 HA ILE 61 11.521 32.180 10.986 479 HB ILE 61 HB ILE 61 11.370 31.914 13.384 480 HG12 ILE 61 HG12 ILE 61 11.283 29.282 14.082 481 HG13 ILE 61 HG13 ILE 61 12.582 29.231 12.887 482 HG21 ILE 61 HG21 ILE 61 9.376 31.512 12.024 483 HG22 ILE 61 HG22 ILE 61 9.738 29.777 11.945 484 HG23 ILE 61 HG23 ILE 61 9.363 30.555 13.504 485 HD11 ILE 61 HD11 ILE 61 13.873 30.865 14.171 486 HD12 ILE 61 HD12 ILE 61 12.529 31.048 15.327 487 HD13 ILE 61 HD13 ILE 61 13.406 29.506 15.202 488 H GLU 62 H GLU 62 12.822 33.550 12.339 489 HA GLU 62 HA GLU 62 15.627 33.450 11.550 490 HB2 GLU 62 HB2 GLU 62 13.945 35.369 13.210 491 HB3 GLU 62 HB3 GLU 62 15.684 35.524 13.050 492 HG2 GLU 62 HG2 GLU 62 15.117 35.324 10.431 493 HG3 GLU 62 HG3 GLU 62 13.540 35.906 10.973 494 H GLU 63 H GLU 63 17.149 32.332 12.516 495 HA GLU 63 HA GLU 63 16.841 31.405 15.285 496 HB2 GLU 63 HB2 GLU 63 17.561 29.875 13.495 497 HB3 GLU 63 HB3 GLU 63 18.992 30.851 13.218 498 HG2 GLU 63 HG2 GLU 63 19.498 28.838 14.493 499 HG3 GLU 63 HG3 GLU 63 19.863 30.280 15.409 500 H GLN 64 H GLN 64 18.250 31.845 16.961 501 HA GLN 64 HA GLN 64 19.411 34.561 16.850 502 HB2 GLN 64 HB2 GLN 64 18.672 32.849 19.241 503 HB3 GLN 64 HB3 GLN 64 19.069 34.571 19.250 504 HG2 GLN 64 HG2 GLN 64 16.606 33.272 18.008 505 HG3 GLN 64 HG3 GLN 64 16.661 34.266 19.453 506 HE21 GLN 64 HE21 GLN 64 15.731 34.449 16.255 507 HE22 GLN 64 HE22 GLN 64 15.971 36.178 16.060 508 H ASN 65 H ASN 65 20.763 31.697 16.301 509 HA ASN 65 HA ASN 65 23.061 31.740 18.048 510 HB2 ASN 65 HB2 ASN 65 22.269 30.134 15.576 511 HB3 ASN 65 HB3 ASN 65 23.673 29.802 16.557 512 HD21 ASN 65 HD21 ASN 65 21.754 27.810 16.169 513 HD22 ASN 65 HD22 ASN 65 20.892 27.585 17.682 514 H ARG 66 H ARG 66 22.378 33.687 15.444 515 HA ARG 66 HA ARG 66 24.888 33.871 14.023 516 HB2 ARG 66 HB2 ARG 66 22.494 35.718 14.384 517 HB3 ARG 66 HB3 ARG 66 23.919 36.193 13.450 518 HG2 ARG 66 HG2 ARG 66 23.643 34.429 11.864 519 HG3 ARG 66 HG3 ARG 66 22.364 33.649 12.816 520 HD2 ARG 66 HD2 ARG 66 22.068 36.497 11.784 521 HD3 ARG 66 HD3 ARG 66 21.652 35.100 10.782 522 HE ARG 66 HE ARG 66 20.326 34.677 13.210 523 HH11 ARG 66 HH11 ARG 66 20.039 37.132 10.671 524 HH12 ARG 66 HH12 ARG 66 18.347 37.369 11.100 525 HH21 ARG 66 HH21 ARG 66 18.262 35.118 13.603 526 HH22 ARG 66 HH22 ARG 66 17.434 36.353 12.619 527 H1 GLY -3 H1 GLY -3 -14.628 7.337 3.929 528 H2 GLY -3 H2 GLY -3 -14.346 6.768 5.439 529 H3 GLY -3 H3 GLY -3 -15.619 6.200 4.577 530 HA2 GLY -3 HA2 GLY -3 -13.857 4.576 4.593 531 HA3 GLY -3 HA3 GLY -3 -14.172 5.171 2.956 532 HA PRO -2 HA PRO -2 -9.601 5.397 3.655 533 HB2 PRO -2 HB2 PRO -2 -9.745 4.844 0.694 534 HB3 PRO -2 HB3 PRO -2 -8.605 4.206 1.917 535 HG2 PRO -2 HG2 PRO -2 -10.648 2.670 1.053 536 HG3 PRO -2 HG3 PRO -2 -10.275 2.733 2.807 537 HD2 PRO -2 HD2 PRO -2 -12.402 4.276 1.285 538 HD3 PRO -2 HD3 PRO -2 -12.563 3.356 2.808 539 H GLY -1 H GLY -1 -8.031 6.912 3.025 540 HA2 GLY -1 HA2 GLY -1 -8.383 8.857 0.931 541 HA3 GLY -1 HA3 GLY -1 -8.715 9.576 2.516 542 H SER 0 H SER 0 -6.540 10.114 0.580 543 HA SER 0 HA SER 0 -4.086 8.947 1.578 544 HB2 SER 0 HB2 SER 0 -4.351 9.643 -0.761 545 HB3 SER 0 HB3 SER 0 -4.527 11.336 -0.247 546 HG SER 0 HG SER 0 -2.357 10.775 -0.892 547 H MET 1 H MET 1 -2.863 9.536 3.213 548 HA MET 1 HA MET 1 -2.813 12.323 4.265 549 HB2 MET 1 HB2 MET 1 -2.954 9.754 5.902 550 HB3 MET 1 HB3 MET 1 -2.599 11.355 6.559 551 HG2 MET 1 HG2 MET 1 -5.151 10.636 5.087 552 HG3 MET 1 HG3 MET 1 -4.977 10.562 6.837 553 HE1 MET 1 HE1 MET 1 -4.872 12.567 8.473 554 HE2 MET 1 HE2 MET 1 -3.371 13.158 7.726 555 HE3 MET 1 HE3 MET 1 -4.725 14.264 7.978 556 H CYS 2 H CYS 2 -0.854 13.008 5.070 557 HA CYS 2 HA CYS 2 1.536 11.295 4.531 558 HB2 CYS 2 HB2 CYS 2 1.305 14.317 4.426 559 HB3 CYS 2 HB3 CYS 2 2.735 13.350 4.106 560 H MET 3 H MET 3 -0.075 11.569 7.129 561 HA MET 3 HA MET 3 1.348 13.148 8.988 562 HB2 MET 3 HB2 MET 3 0.155 12.042 10.693 563 HB3 MET 3 HB3 MET 3 -0.932 12.192 9.320 564 HG2 MET 3 HG2 MET 3 0.571 9.660 10.114 565 HG3 MET 3 HG3 MET 3 -1.085 10.050 10.563 566 HE1 MET 3 HE1 MET 3 -1.698 7.629 9.796 567 HE2 MET 3 HE2 MET 3 -1.359 6.978 8.170 568 HE3 MET 3 HE3 MET 3 -0.022 7.353 9.288 569 H ALA 4 H ALA 4 3.062 12.890 10.271 570 HA ALA 4 HA ALA 4 5.040 10.955 9.249 571 HB1 ALA 4 HB1 ALA 4 5.283 13.475 10.940 572 HB2 ALA 4 HB2 ALA 4 6.654 12.513 10.343 573 HB3 ALA 4 HB3 ALA 4 5.588 13.310 9.189 574 H LYS 5 H LYS 5 6.754 10.249 10.784 575 HA LYS 5 HA LYS 5 5.833 9.909 13.596 576 HB2 LYS 5 HB2 LYS 5 7.540 8.191 13.936 577 HB3 LYS 5 HB3 LYS 5 6.271 7.698 12.808 578 HG2 LYS 5 HG2 LYS 5 7.725 7.885 10.922 579 HG3 LYS 5 HG3 LYS 5 8.939 8.780 11.832 580 HD2 LYS 5 HD2 LYS 5 9.684 6.545 11.386 581 HD3 LYS 5 HD3 LYS 5 9.547 6.808 13.111 582 HE2 LYS 5 HE2 LYS 5 7.265 5.508 11.577 583 HE3 LYS 5 HE3 LYS 5 8.713 4.575 11.958 584 HZ1 LYS 5 HZ1 LYS 5 7.126 4.273 13.710 585 HZ2 LYS 5 HZ2 LYS 5 8.400 5.092 14.318 586 HZ3 LYS 5 HZ3 LYS 5 6.999 5.875 14.000 587 H VAL 6 H VAL 6 7.057 10.738 15.164 588 HA VAL 6 HA VAL 6 9.473 12.345 14.426 589 HB VAL 6 HB VAL 6 7.634 12.504 16.823 590 HG11 VAL 6 HG11 VAL 6 9.907 12.757 17.747 591 HG12 VAL 6 HG12 VAL 6 10.332 13.888 16.433 592 HG13 VAL 6 HG13 VAL 6 9.136 14.340 17.653 593 HG21 VAL 6 HG21 VAL 6 7.031 13.756 14.710 594 HG22 VAL 6 HG22 VAL 6 7.356 14.819 16.083 595 HG23 VAL 6 HG23 VAL 6 8.579 14.612 14.824 596 H VAL 7 H VAL 7 11.441 11.834 15.261 597 HA VAL 7 HA VAL 7 11.665 9.646 17.253 598 HB VAL 7 HB VAL 7 11.956 8.582 15.106 599 HG11 VAL 7 HG11 VAL 7 12.778 10.444 13.723 600 HG12 VAL 7 HG12 VAL 7 14.314 10.450 14.612 601 HG13 VAL 7 HG13 VAL 7 13.858 9.047 13.625 602 HG21 VAL 7 HG21 VAL 7 13.309 7.813 17.071 603 HG22 VAL 7 HG22 VAL 7 14.062 7.466 15.506 604 HG23 VAL 7 HG23 VAL 7 14.658 8.808 16.494 605 H LEU 8 H LEU 8 13.223 9.811 18.738 606 HA LEU 8 HA LEU 8 15.357 11.830 18.554 607 HB2 LEU 8 HB2 LEU 8 14.748 12.908 20.649 608 HB3 LEU 8 HB3 LEU 8 13.498 13.123 19.447 609 HG LEU 8 HG LEU 8 12.993 10.736 21.109 610 HD11 LEU 8 HD11 LEU 8 14.139 12.094 22.832 611 HD12 LEU 8 HD12 LEU 8 13.021 13.434 22.503 612 HD13 LEU 8 HD13 LEU 8 12.410 11.906 23.167 613 HD21 LEU 8 HD21 LEU 8 10.779 11.756 21.356 614 HD22 LEU 8 HD22 LEU 8 11.376 13.277 20.655 615 HD23 LEU 8 HD23 LEU 8 11.294 11.797 19.663 616 H THR 9 H THR 9 16.871 11.688 20.382 617 HA THR 9 HA THR 9 17.132 8.882 21.426 618 HB THR 9 HB THR 9 19.346 10.746 20.548 619 HG1 THR 9 HG1 THR 9 18.205 9.953 18.824 620 HG21 THR 9 HG21 THR 9 20.793 8.761 20.727 621 HG22 THR 9 HG22 THR 9 20.100 9.142 22.307 622 HG23 THR 9 HG23 THR 9 19.436 7.799 21.350 623 H LYS 10 H LYS 10 17.505 8.615 23.522 624 HA LYS 10 HA LYS 10 17.172 10.860 25.375 625 HB2 LYS 10 HB2 LYS 10 17.731 7.921 25.968 626 HB3 LYS 10 HB3 LYS 10 17.189 9.148 27.105 627 HG2 LYS 10 HG2 LYS 10 15.064 9.385 25.681 628 HG3 LYS 10 HG3 LYS 10 15.621 7.954 24.790 629 HD2 LYS 10 HD2 LYS 10 14.161 7.083 26.444 630 HD3 LYS 10 HD3 LYS 10 15.792 6.775 27.064 631 HE2 LYS 10 HE2 LYS 10 15.509 9.061 28.317 632 HE3 LYS 10 HE3 LYS 10 13.798 8.917 27.896 633 HZ1 LYS 10 HZ1 LYS 10 15.414 7.092 29.584 634 HZ2 LYS 10 HZ2 LYS 10 14.129 7.967 30.047 635 HZ3 LYS 10 HZ3 LYS 10 13.901 6.683 29.058 636 H ALA 11 H ALA 11 18.512 11.214 27.228 637 HA ALA 11 HA ALA 11 21.364 11.343 26.857 638 HB1 ALA 11 HB1 ALA 11 19.651 11.479 29.381 639 HB2 ALA 11 HB2 ALA 11 21.350 11.985 29.247 640 HB3 ALA 11 HB3 ALA 11 20.093 12.857 28.343 641 H ASP 12 H ASP 12 19.219 8.880 28.163 642 HA ASP 12 HA ASP 12 21.132 7.141 29.394 643 HB2 ASP 12 HB2 ASP 12 18.427 6.558 28.116 644 HB3 ASP 12 HB3 ASP 12 19.293 5.525 29.243 645 H GLY 13 H GLY 13 20.759 7.901 26.088 646 HA2 GLY 13 HA2 GLY 13 21.680 6.971 24.178 647 HA3 GLY 13 HA3 GLY 13 22.210 5.551 25.084 648 H GLY 14 H GLY 14 18.925 6.165 25.718 649 HA2 GLY 14 HA2 GLY 14 17.965 3.929 24.063 650 HA3 GLY 14 HA3 GLY 14 17.046 4.869 25.235 651 H ARG 15 H ARG 15 15.778 4.280 22.959 652 HA ARG 15 HA ARG 15 15.722 6.838 21.389 653 HB2 ARG 15 HB2 ARG 15 16.326 4.420 20.285 654 HB3 ARG 15 HB3 ARG 15 14.577 4.322 20.218 655 HG2 ARG 15 HG2 ARG 15 15.149 5.266 18.144 656 HG3 ARG 15 HG3 ARG 15 14.661 6.674 19.089 657 HD2 ARG 15 HD2 ARG 15 16.673 7.276 17.934 658 HD3 ARG 15 HD3 ARG 15 17.155 7.024 19.613 659 HE ARG 15 HE ARG 15 17.406 4.605 18.014 660 HH11 ARG 15 HH11 ARG 15 19.164 7.588 18.670 661 HH12 ARG 15 HH12 ARG 15 20.674 6.870 18.169 662 HH21 ARG 15 HH21 ARG 15 19.360 3.772 17.473 663 HH22 ARG 15 HH22 ARG 15 20.781 4.774 17.529 664 H VAL 16 H VAL 16 13.767 7.771 20.958 665 HA VAL 16 HA VAL 16 11.279 6.566 22.064 666 HB VAL 16 HB VAL 16 12.296 9.364 22.651 667 HG11 VAL 16 HG11 VAL 16 10.169 9.735 23.868 668 HG12 VAL 16 HG12 VAL 16 9.889 9.558 22.141 669 HG13 VAL 16 HG13 VAL 16 9.541 8.199 23.244 670 HG21 VAL 16 HG21 VAL 16 11.973 8.721 25.000 671 HG22 VAL 16 HG22 VAL 16 11.506 7.081 24.489 672 HG23 VAL 16 HG23 VAL 16 13.153 7.685 24.209 673 H GLU 17 H GLU 17 9.465 6.942 20.884 674 HA GLU 17 HA GLU 17 9.612 8.672 18.482 675 HB2 GLU 17 HB2 GLU 17 8.831 5.733 18.459 676 HB3 GLU 17 HB3 GLU 17 8.562 6.866 17.128 677 HG2 GLU 17 HG2 GLU 17 10.984 7.237 16.919 678 HG3 GLU 17 HG3 GLU 17 11.285 6.085 18.239 679 H ILE 18 H ILE 18 7.658 9.317 17.600 680 HA ILE 18 HA ILE 18 5.095 8.587 18.959 681 HB ILE 18 HB ILE 18 5.918 11.381 18.071 682 HG12 ILE 18 HG12 ILE 18 5.171 10.609 20.909 683 HG13 ILE 18 HG13 ILE 18 6.836 10.499 20.367 684 HG21 ILE 18 HG21 ILE 18 3.695 12.084 18.998 685 HG22 ILE 18 HG22 ILE 18 3.506 10.974 17.657 686 HG23 ILE 18 HG23 ILE 18 3.309 10.390 19.329 687 HD11 ILE 18 HD11 ILE 18 6.949 12.841 19.811 688 HD12 ILE 18 HD12 ILE 18 5.237 13.069 20.209 689 HD13 ILE 18 HD13 ILE 18 6.383 12.632 21.483 690 H GLY 19 H GLY 19 3.633 7.870 17.486 691 HA2 GLY 19 HA2 GLY 19 4.167 8.192 14.558 692 HA3 GLY 19 HA3 GLY 19 3.127 6.990 15.305 693 H ASP 20 H ASP 20 2.148 8.260 13.199 694 HA ASP 20 HA ASP 20 0.477 9.466 12.337 695 HB2 ASP 20 HB2 ASP 20 -0.844 9.060 15.026 696 HB3 ASP 20 HB3 ASP 20 -1.647 9.355 13.483 697 H VAL 21 H VAL 21 2.476 11.185 13.153 698 HA VAL 21 HA VAL 21 1.436 13.466 14.646 699 HB VAL 21 HB VAL 21 4.009 13.069 13.089 700 HG11 VAL 21 HG11 VAL 21 3.582 15.459 13.244 701 HG12 VAL 21 HG12 VAL 21 3.192 15.310 14.976 702 HG13 VAL 21 HG13 VAL 21 4.843 14.997 14.384 703 HG21 VAL 21 HG21 VAL 21 4.993 12.829 15.366 704 HG22 VAL 21 HG22 VAL 21 3.370 12.932 16.062 705 HG23 VAL 21 HG23 VAL 21 3.810 11.563 15.033 706 H LEU 22 H LEU 22 0.252 15.098 13.892 707 HA LEU 22 HA LEU 22 0.038 15.604 10.963 708 HB2 LEU 22 HB2 LEU 22 -1.472 16.800 13.331 709 HB3 LEU 22 HB3 LEU 22 -1.725 17.213 11.638 710 HG LEU 22 HG LEU 22 -2.273 14.515 12.929 711 HD11 LEU 22 HD11 LEU 22 -4.048 16.693 11.726 712 HD12 LEU 22 HD12 LEU 22 -4.633 15.123 12.285 713 HD13 LEU 22 HD13 LEU 22 -3.926 16.261 13.439 714 HD21 LEU 22 HD21 LEU 22 -2.640 15.371 10.033 715 HD22 LEU 22 HD22 LEU 22 -1.551 14.105 10.629 716 HD23 LEU 22 HD23 LEU 22 -3.287 13.883 10.760 717 H GLU 23 H GLU 23 1.390 17.120 13.883 718 HA GLU 23 HA GLU 23 2.969 18.853 12.161 719 HB2 GLU 23 HB2 GLU 23 2.303 20.976 13.170 720 HB3 GLU 23 HB3 GLU 23 0.972 20.227 12.306 721 HG2 GLU 23 HG2 GLU 23 -0.009 19.459 14.456 722 HG3 GLU 23 HG3 GLU 23 1.372 20.126 15.333 723 H VAL 24 H VAL 24 4.622 19.974 13.104 724 HA VAL 24 HA VAL 24 5.451 19.281 15.872 725 HB VAL 24 HB VAL 24 7.287 19.038 13.456 726 HG11 VAL 24 HG11 VAL 24 8.513 19.718 15.502 727 HG12 VAL 24 HG12 VAL 24 7.778 18.374 16.397 728 HG13 VAL 24 HG13 VAL 24 8.895 18.063 15.058 729 HG21 VAL 24 HG21 VAL 24 5.776 17.125 13.458 730 HG22 VAL 24 HG22 VAL 24 7.359 16.616 14.028 731 HG23 VAL 24 HG23 VAL 24 6.047 16.876 15.194 732 H ARG 25 H ARG 25 6.620 20.913 16.891 733 HA ARG 25 HA ARG 25 7.129 23.459 15.367 734 HB2 ARG 25 HB2 ARG 25 5.732 23.288 18.067 735 HB3 ARG 25 HB3 ARG 25 6.088 24.744 17.142 736 HG2 ARG 25 HG2 ARG 25 4.542 23.830 15.318 737 HG3 ARG 25 HG3 ARG 25 4.076 22.563 16.474 738 HD2 ARG 25 HD2 ARG 25 3.383 24.322 18.091 739 HD3 ARG 25 HD3 ARG 25 3.837 25.566 16.914 740 HE ARG 25 HE ARG 25 1.963 23.692 15.739 741 HH11 ARG 25 HH11 ARG 25 1.936 26.422 17.959 742 HH12 ARG 25 HH12 ARG 25 0.266 26.782 17.591 743 HH21 ARG 25 HH21 ARG 25 -0.026 24.138 15.376 744 HH22 ARG 25 HH22 ARG 25 -0.855 25.503 16.116 745 H ALA 26 H ALA 26 9.011 24.411 15.834 746 HA ALA 26 HA ALA 26 10.589 23.518 18.219 747 HB1 ALA 26 HB1 ALA 26 11.696 23.283 16.015 748 HB2 ALA 26 HB2 ALA 26 11.491 25.031 15.741 749 HB3 ALA 26 HB3 ALA 26 12.518 24.453 17.064 750 H GLU 27 H GLU 27 10.215 24.724 19.920 751 HA GLU 27 HA GLU 27 9.531 27.615 19.756 752 HB2 GLU 27 HB2 GLU 27 9.701 25.864 22.217 753 HB3 GLU 27 HB3 GLU 27 8.887 27.404 22.058 754 HG2 GLU 27 HG2 GLU 27 7.999 24.771 20.793 755 HG3 GLU 27 HG3 GLU 27 7.352 25.504 22.242 756 H GLY 28 H GLY 28 10.617 28.946 21.571 757 HA2 GLY 28 HA2 GLY 28 13.498 28.967 21.203 758 HA3 GLY 28 HA3 GLY 28 12.545 30.060 22.204 759 H GLY 29 H GLY 29 13.124 26.519 22.308 760 HA2 GLY 29 HA2 GLY 29 14.882 26.111 24.305 761 HA3 GLY 29 HA3 GLY 29 13.463 26.566 25.252 762 H ALA 30 H ALA 30 12.213 24.895 22.616 763 HA ALA 30 HA ALA 30 12.586 22.171 23.556 764 HB1 ALA 30 HB1 ALA 30 11.084 23.112 25.342 765 HB2 ALA 30 HB2 ALA 30 9.939 23.616 24.080 766 HB3 ALA 30 HB3 ALA 30 10.251 21.889 24.361 767 H VAL 31 H VAL 31 11.326 20.633 22.331 768 HA VAL 31 HA VAL 31 9.991 21.692 19.855 769 HB VAL 31 HB VAL 31 11.284 19.013 20.347 770 HG11 VAL 31 HG11 VAL 31 10.542 18.405 18.038 771 HG12 VAL 31 HG12 VAL 31 9.203 18.471 19.172 772 HG13 VAL 31 HG13 VAL 31 9.471 19.811 18.021 773 HG21 VAL 31 HG21 VAL 31 12.650 20.975 19.546 774 HG22 VAL 31 HG22 VAL 31 12.612 19.622 18.413 775 HG23 VAL 31 HG23 VAL 31 11.617 21.069 18.117 776 H ARG 32 H ARG 32 7.917 21.119 19.413 777 HA ARG 32 HA ARG 32 6.361 19.497 21.402 778 HB2 ARG 32 HB2 ARG 32 5.490 21.996 19.903 779 HB3 ARG 32 HB3 ARG 32 4.438 20.984 20.897 780 HG2 ARG 32 HG2 ARG 32 5.563 21.603 22.933 781 HG3 ARG 32 HG3 ARG 32 6.901 22.352 22.054 782 HD2 ARG 32 HD2 ARG 32 5.461 24.096 22.892 783 HD3 ARG 32 HD3 ARG 32 5.390 24.048 21.121 784 HE ARG 32 HE ARG 32 3.253 22.491 22.372 785 HH11 ARG 32 HH11 ARG 32 4.035 25.805 21.370 786 HH12 ARG 32 HH12 ARG 32 2.340 26.243 21.424 787 HH21 ARG 32 HH21 ARG 32 1.295 23.072 22.352 788 HH22 ARG 32 HH22 ARG 32 0.761 24.705 21.922 789 H VAL 33 H VAL 33 4.794 18.170 20.588 790 HA VAL 33 HA VAL 33 4.656 17.703 17.624 791 HB VAL 33 HB VAL 33 5.075 15.588 19.783 792 HG11 VAL 33 HG11 VAL 33 4.936 15.369 16.757 793 HG12 VAL 33 HG12 VAL 33 5.425 14.059 17.850 794 HG13 VAL 33 HG13 VAL 33 3.777 14.688 17.925 795 HG21 VAL 33 HG21 VAL 33 7.040 16.591 17.693 796 HG22 VAL 33 HG22 VAL 33 7.182 16.797 19.448 797 HG23 VAL 33 HG23 VAL 33 7.280 15.186 18.763 798 H THR 34 H THR 34 2.587 17.344 16.895 799 HA THR 34 HA THR 34 0.468 16.633 18.903 800 HB THR 34 HB THR 34 0.173 18.595 16.629 801 HG1 THR 34 HG1 THR 34 1.312 19.465 18.368 802 HG21 THR 34 HG21 THR 34 -1.775 17.718 18.793 803 HG22 THR 34 HG22 THR 34 -2.014 19.099 17.698 804 HG23 THR 34 HG23 THR 34 -1.942 17.455 17.042 805 H THR 35 H THR 35 -0.780 14.983 18.456 806 HA THR 35 HA THR 35 -0.309 13.445 15.984 807 HB THR 35 HB THR 35 -1.410 11.617 17.106 808 HG1 THR 35 HG1 THR 35 -1.807 13.345 19.306 809 HG21 THR 35 HG21 THR 35 0.442 12.977 19.115 810 HG22 THR 35 HG22 THR 35 0.039 11.252 19.011 811 HG23 THR 35 HG23 THR 35 0.965 12.017 17.704 812 H LEU 36 H LEU 36 -2.035 12.251 14.975 813 HA LEU 36 HA LEU 36 -4.237 13.608 13.916 814 HB2 LEU 36 HB2 LEU 36 -3.143 11.645 12.970 815 HB3 LEU 36 HB3 LEU 36 -3.584 10.674 14.368 816 HG LEU 36 HG LEU 36 -5.965 10.743 13.715 817 HD11 LEU 36 HD11 LEU 36 -4.975 12.200 11.221 818 HD12 LEU 36 HD12 LEU 36 -6.612 11.558 11.500 819 HD13 LEU 36 HD13 LEU 36 -6.027 12.894 12.485 820 HD21 LEU 36 HD21 LEU 36 -5.757 9.303 11.748 821 HD22 LEU 36 HD22 LEU 36 -4.106 9.897 11.459 822 HD23 LEU 36 HD23 LEU 36 -4.467 8.938 12.914 823 H PHE 37 H PHE 37 -4.027 12.149 17.056 824 HA PHE 37 HA PHE 37 -6.979 12.200 17.435 825 HB2 PHE 37 HB2 PHE 37 -4.884 10.704 19.019 826 HB3 PHE 37 HB3 PHE 37 -6.630 10.561 19.184 827 HD1 PHE 37 HD1 PHE 37 -7.995 9.794 17.113 828 HD2 PHE 37 HD2 PHE 37 -3.713 9.350 17.409 829 HE1 PHE 37 HE1 PHE 37 -8.026 8.178 15.212 830 HE2 PHE 37 HE2 PHE 37 -3.759 7.728 15.523 831 HZ PHE 37 HZ PHE 37 -5.903 7.178 14.400 832 H ASP 38 H ASP 38 -4.978 14.489 17.638 833 HA ASP 38 HA ASP 38 -4.672 16.371 18.766 834 HB2 ASP 38 HB2 ASP 38 -7.218 15.732 20.273 835 HB3 ASP 38 HB3 ASP 38 -6.490 17.314 20.063 836 H GLU 39 H GLU 39 -3.738 13.730 20.143 837 HA GLU 39 HA GLU 39 -3.114 14.757 22.845 838 HB2 GLU 39 HB2 GLU 39 -1.899 12.404 21.338 839 HB3 GLU 39 HB3 GLU 39 -1.612 12.816 23.014 840 HG2 GLU 39 HG2 GLU 39 -4.250 11.914 21.797 841 HG3 GLU 39 HG3 GLU 39 -3.186 10.956 22.807 842 H GLU 40 H GLU 40 -1.216 15.622 23.509 843 HA GLU 40 HA GLU 40 0.706 16.541 21.422 844 HB2 GLU 40 HB2 GLU 40 -0.806 18.328 22.141 845 HB3 GLU 40 HB3 GLU 40 -0.298 18.092 23.823 846 HG2 GLU 40 HG2 GLU 40 1.998 18.750 23.253 847 HG3 GLU 40 HG3 GLU 40 1.554 18.882 21.547 848 H HIS 41 H HIS 41 2.851 16.534 21.900 849 HA HIS 41 HA HIS 41 3.810 15.614 24.579 850 HB2 HIS 41 HB2 HIS 41 4.957 14.733 21.914 851 HB3 HIS 41 HB3 HIS 41 5.441 14.182 23.515 852 HD2 HIS 41 HD2 HIS 41 2.725 13.719 20.819 853 HE1 HIS 41 HE1 HIS 41 2.017 10.702 23.745 854 HE2 HIS 41 HE2 HIS 41 1.348 11.559 21.453 855 H ALA 42 H ALA 42 5.885 16.461 25.155 856 HA ALA 42 HA ALA 42 7.144 18.421 23.338 857 HB1 ALA 42 HB1 ALA 42 5.490 19.722 24.626 858 HB2 ALA 42 HB2 ALA 42 6.207 19.142 26.143 859 HB3 ALA 42 HB3 ALA 42 7.147 20.185 25.054 860 H PHE 43 H PHE 43 9.245 18.915 23.704 861 HA PHE 43 HA PHE 43 10.792 17.200 25.601 862 HB2 PHE 43 HB2 PHE 43 11.270 17.478 22.616 863 HB3 PHE 43 HB3 PHE 43 12.266 16.580 23.751 864 HD1 PHE 43 HD1 PHE 43 9.135 16.597 21.799 865 HD2 PHE 43 HD2 PHE 43 11.435 14.478 24.773 866 HE1 PHE 43 HE1 PHE 43 7.692 14.610 21.493 867 HE2 PHE 43 HE2 PHE 43 10.011 12.463 24.424 868 HZ PHE 43 HZ PHE 43 8.155 12.522 22.793 869 HA PRO 44 HA PRO 44 12.592 21.427 25.819 870 HB2 PRO 44 HB2 PRO 44 13.868 21.203 28.216 871 HB3 PRO 44 HB3 PRO 44 12.101 21.479 28.057 872 HG2 PRO 44 HG2 PRO 44 13.541 18.843 28.500 873 HG3 PRO 44 HG3 PRO 44 12.127 19.508 29.385 874 HD2 PRO 44 HD2 PRO 44 11.859 17.709 27.351 875 HD3 PRO 44 HD3 PRO 44 10.672 19.031 27.583 876 H GLY 45 H GLY 45 14.559 22.221 25.271 877 HA2 GLY 45 HA2 GLY 45 16.807 22.354 24.810 878 HA3 GLY 45 HA3 GLY 45 17.061 20.786 25.588 879 H LEU 46 H LEU 46 14.712 20.339 23.202 880 HA LEU 46 HA LEU 46 16.734 19.482 21.189 881 HB2 LEU 46 HB2 LEU 46 13.791 18.763 21.410 882 HB3 LEU 46 HB3 LEU 46 14.901 18.204 20.163 883 HG LEU 46 HG LEU 46 14.982 17.517 23.125 884 HD11 LEU 46 HD11 LEU 46 14.539 15.259 22.348 885 HD12 LEU 46 HD12 LEU 46 13.314 16.333 21.644 886 HD13 LEU 46 HD13 LEU 46 14.665 15.755 20.648 887 HD21 LEU 46 HD21 LEU 46 17.317 17.667 22.377 888 HD22 LEU 46 HD22 LEU 46 16.856 15.967 22.548 889 HD23 LEU 46 HD23 LEU 46 16.938 16.698 20.927 890 H ALA 47 H ALA 47 16.294 19.789 18.996 891 HA ALA 47 HA ALA 47 14.392 21.886 18.117 892 HB1 ALA 47 HB1 ALA 47 16.594 23.011 18.362 893 HB2 ALA 47 HB2 ALA 47 17.344 21.772 17.329 894 HB3 ALA 47 HB3 ALA 47 16.122 22.880 16.654 895 H ILE 48 H ILE 48 13.953 21.686 15.765 896 HA ILE 48 HA ILE 48 13.774 18.884 14.895 897 HB ILE 48 HB ILE 48 13.043 21.446 13.439 898 HG12 ILE 48 HG12 ILE 48 11.132 19.514 14.828 899 HG13 ILE 48 HG13 ILE 48 11.730 20.980 15.590 900 HG21 ILE 48 HG21 ILE 48 12.348 18.538 12.833 901 HG22 ILE 48 HG22 ILE 48 11.704 19.933 11.953 902 HG23 ILE 48 HG23 ILE 48 13.423 19.576 11.865 903 HD11 ILE 48 HD11 ILE 48 9.614 21.547 14.713 904 HD12 ILE 48 HD12 ILE 48 10.795 22.320 13.657 905 HD13 ILE 48 HD13 ILE 48 9.962 20.823 13.137 906 H GLY 49 H GLY 49 15.364 17.836 13.867 907 HA2 GLY 49 HA2 GLY 49 17.723 19.321 12.830 908 HA3 GLY 49 HA3 GLY 49 17.620 17.623 13.255 909 H ARG 50 H ARG 50 15.417 16.779 11.720 910 HA ARG 50 HA ARG 50 15.916 17.535 8.904 911 HB2 ARG 50 HB2 ARG 50 17.636 15.797 9.515 912 HB3 ARG 50 HB3 ARG 50 16.323 14.680 9.861 913 HG2 ARG 50 HG2 ARG 50 15.604 14.753 7.504 914 HG3 ARG 50 HG3 ARG 50 16.833 15.986 7.149 915 HD2 ARG 50 HD2 ARG 50 18.599 14.354 7.859 916 HD3 ARG 50 HD3 ARG 50 17.331 13.137 8.114 917 HE ARG 50 HE ARG 50 17.014 14.054 5.471 918 HH11 ARG 50 HH11 ARG 50 19.292 12.087 7.274 919 HH12 ARG 50 HH12 ARG 50 19.871 11.296 5.829 920 HH21 ARG 50 HH21 ARG 50 17.975 13.228 3.697 921 HH22 ARG 50 HH22 ARG 50 19.106 11.892 3.845 922 H VAL 51 H VAL 51 14.290 17.074 7.529 923 HA VAL 51 HA VAL 51 11.825 15.665 8.495 924 HB VAL 51 HB VAL 51 11.925 18.310 6.995 925 HG11 VAL 51 HG11 VAL 51 9.465 18.335 7.325 926 HG12 VAL 51 HG12 VAL 51 9.990 17.007 6.297 927 HG13 VAL 51 HG13 VAL 51 9.542 16.683 7.976 928 HG21 VAL 51 HG21 VAL 51 12.470 18.673 9.370 929 HG22 VAL 51 HG22 VAL 51 10.882 19.314 8.962 930 HG23 VAL 51 HG23 VAL 51 11.011 17.774 9.836 931 H ASP 52 H ASP 52 11.594 13.948 7.184 932 HA ASP 52 HA ASP 52 12.387 14.138 4.297 933 HB2 ASP 52 HB2 ASP 52 12.113 11.728 6.129 934 HB3 ASP 52 HB3 ASP 52 12.495 11.652 4.416 935 H LEU 53 H LEU 53 10.551 14.871 3.264 936 HA LEU 53 HA LEU 53 7.882 14.038 3.992 937 HB2 LEU 53 HB2 LEU 53 8.872 15.325 1.405 938 HB3 LEU 53 HB3 LEU 53 7.206 15.133 1.900 939 HG LEU 53 HG LEU 53 7.680 17.355 2.237 940 HD11 LEU 53 HD11 LEU 53 6.422 16.314 4.089 941 HD12 LEU 53 HD12 LEU 53 7.930 16.136 5.008 942 HD13 LEU 53 HD13 LEU 53 7.330 17.759 4.586 943 HD21 LEU 53 HD21 LEU 53 10.132 16.758 3.926 944 HD22 LEU 53 HD22 LEU 53 10.150 17.277 2.222 945 HD23 LEU 53 HD23 LEU 53 9.489 18.336 3.457 946 H ARG 54 H ARG 54 10.238 12.836 1.659 947 HA ARG 54 HA ARG 54 8.578 10.959 0.276 948 HB2 ARG 54 HB2 ARG 54 10.658 9.890 -0.406 949 HB3 ARG 54 HB3 ARG 54 10.693 11.631 -0.616 950 HG2 ARG 54 HG2 ARG 54 12.062 11.856 1.465 951 HG3 ARG 54 HG3 ARG 54 12.032 10.101 1.663 952 HD2 ARG 54 HD2 ARG 54 13.195 11.607 -0.715 953 HD3 ARG 54 HD3 ARG 54 14.132 10.938 0.628 954 HE ARG 54 HE ARG 54 12.769 8.739 -0.273 955 HH11 ARG 54 HH11 ARG 54 14.923 10.984 -1.900 956 HH12 ARG 54 HH12 ARG 54 15.408 9.798 -3.082 957 HH21 ARG 54 HH21 ARG 54 13.416 7.298 -1.821 958 HH22 ARG 54 HH22 ARG 54 14.571 7.768 -3.026 959 H SER 55 H SER 55 9.772 10.770 3.507 960 HA SER 55 HA SER 55 9.076 7.847 3.656 961 HB2 SER 55 HB2 SER 55 11.087 9.386 5.339 962 HB3 SER 55 HB3 SER 55 10.719 7.654 5.440 963 HG SER 55 HG SER 55 11.601 7.349 3.409 964 H GLY 56 H GLY 56 8.333 10.992 4.958 965 HA2 GLY 56 HA2 GLY 56 6.774 11.647 6.523 966 HA3 GLY 56 HA3 GLY 56 6.258 9.972 6.725 967 H VAL 57 H VAL 57 9.501 11.446 7.196 968 HA VAL 57 HA VAL 57 9.448 10.573 10.071 969 HB VAL 57 HB VAL 57 11.772 10.243 8.153 970 HG11 VAL 57 HG11 VAL 57 12.610 10.770 10.390 971 HG12 VAL 57 HG12 VAL 57 11.520 9.572 11.124 972 HG13 VAL 57 HG13 VAL 57 12.849 9.054 10.067 973 HG21 VAL 57 HG21 VAL 57 10.004 8.185 9.531 974 HG22 VAL 57 HG22 VAL 57 10.057 8.521 7.790 975 HG23 VAL 57 HG23 VAL 57 11.475 7.817 8.590 976 H ILE 58 H ILE 58 10.057 11.981 11.524 977 HA ILE 58 HA ILE 58 11.597 14.418 10.721 978 HB ILE 58 HB ILE 58 9.258 14.198 12.629 979 HG12 ILE 58 HG12 ILE 58 9.629 15.918 10.139 980 HG13 ILE 58 HG13 ILE 58 8.782 14.374 10.137 981 HG21 ILE 58 HG21 ILE 58 9.620 16.660 13.009 982 HG22 ILE 58 HG22 ILE 58 10.941 15.691 13.635 983 HG23 ILE 58 HG23 ILE 58 11.132 16.550 12.097 984 HD11 ILE 58 HD11 ILE 58 7.121 15.240 11.744 985 HD12 ILE 58 HD12 ILE 58 7.885 16.852 11.621 986 HD13 ILE 58 HD13 ILE 58 7.169 16.090 10.185 987 H SER 59 H SER 59 13.511 14.470 11.630 988 HA SER 59 HA SER 59 14.071 12.831 14.069 989 HB2 SER 59 HB2 SER 59 15.312 12.252 12.014 990 HB3 SER 59 HB3 SER 59 15.981 13.897 11.967 991 HG SER 59 HG SER 59 17.372 12.345 12.989 992 H LEU 60 H LEU 60 14.622 13.795 15.927 993 HA LEU 60 HA LEU 60 15.035 16.740 15.967 994 HB2 LEU 60 HB2 LEU 60 14.469 14.925 18.306 995 HB3 LEU 60 HB3 LEU 60 14.455 16.684 18.274 996 HG LEU 60 HG LEU 60 12.455 14.811 16.961 997 HD11 LEU 60 HD11 LEU 60 12.205 15.151 19.386 998 HD12 LEU 60 HD12 LEU 60 12.201 16.909 19.153 999 HD13 LEU 60 HD13 LEU 60 10.876 15.914 18.503 1000 HD21 LEU 60 HD21 LEU 60 12.611 17.849 16.800 1001 HD22 LEU 60 HD22 LEU 60 12.730 16.719 15.435 1002 HD23 LEU 60 HD23 LEU 60 11.210 16.875 16.299 1003 H ILE 61 H ILE 61 16.653 17.697 17.158 1004 HA ILE 61 HA ILE 61 19.047 16.089 17.930 1005 HB ILE 61 HB ILE 61 20.530 17.629 16.759 1006 HG12 ILE 61 HG12 ILE 61 19.112 18.953 14.802 1007 HG13 ILE 61 HG13 ILE 61 18.034 19.144 16.189 1008 HG21 ILE 61 HG21 ILE 61 19.876 15.552 15.684 1009 HG22 ILE 61 HG22 ILE 61 18.522 16.369 14.869 1010 HG23 ILE 61 HG23 ILE 61 20.192 16.831 14.499 1011 HD11 ILE 61 HD11 ILE 61 20.986 19.901 16.156 1012 HD12 ILE 61 HD12 ILE 61 19.630 21.016 15.904 1013 HD13 ILE 61 HD13 ILE 61 19.817 20.211 17.466 1014 H GLU 62 H GLU 62 20.632 17.332 19.155 1015 HA GLU 62 HA GLU 62 19.377 18.747 21.372 1016 HB2 GLU 62 HB2 GLU 62 22.204 17.961 20.626 1017 HB3 GLU 62 HB3 GLU 62 21.909 18.951 22.037 1018 HG2 GLU 62 HG2 GLU 62 20.304 16.408 21.703 1019 HG3 GLU 62 HG3 GLU 62 22.003 16.285 22.144 1020 H GLU 63 H GLU 63 18.895 20.791 21.452 1021 HA GLU 63 HA GLU 63 19.348 22.700 19.436 1022 HB2 GLU 63 HB2 GLU 63 17.474 22.694 20.991 1023 HB3 GLU 63 HB3 GLU 63 18.566 23.083 22.338 1024 HG2 GLU 63 HG2 GLU 63 19.084 25.254 21.314 1025 HG3 GLU 63 HG3 GLU 63 18.083 24.853 19.914 1026 H GLN 64 H GLN 64 20.907 24.147 18.974 1027 HA GLN 64 HA GLN 64 23.363 24.134 20.576 1028 HB2 GLN 64 HB2 GLN 64 22.745 25.246 17.811 1029 HB3 GLN 64 HB3 GLN 64 24.349 25.158 18.532 1030 HG2 GLN 64 HG2 GLN 64 22.599 22.751 17.856 1031 HG3 GLN 64 HG3 GLN 64 23.970 23.341 16.924 1032 HE21 GLN 64 HE21 GLN 64 23.107 21.071 19.287 1033 HE22 GLN 64 HE22 GLN 64 24.730 20.788 19.921 1034 H ASN 65 H ASN 65 20.757 26.041 20.773 1035 HA ASN 65 HA ASN 65 21.965 28.682 20.860 1036 HB2 ASN 65 HB2 ASN 65 19.567 28.195 20.268 1037 HB3 ASN 65 HB3 ASN 65 19.283 27.705 21.947 1038 HD21 ASN 65 HD21 ASN 65 20.567 30.463 20.034 1039 HD22 ASN 65 HD22 ASN 65 19.881 31.694 21.101 1040 H ARG 66 H ARG 66 21.761 26.122 23.146 1041 HA ARG 66 HA ARG 66 21.700 27.601 25.621 1042 HB2 ARG 66 HB2 ARG 66 22.478 24.746 24.933 1043 HB3 ARG 66 HB3 ARG 66 22.343 25.357 26.580 1044 HG2 ARG 66 HG2 ARG 66 19.987 25.811 26.352 1045 HG3 ARG 66 HG3 ARG 66 19.998 25.460 24.622 1046 HD2 ARG 66 HD2 ARG 66 20.631 23.419 26.796 1047 HD3 ARG 66 HD3 ARG 66 19.052 23.619 25.996 1048 HE ARG 66 HE ARG 66 20.930 23.326 23.929 1049 HH11 ARG 66 HH11 ARG 66 21.336 21.533 22.861 1050 HH12 ARG 66 HH12 ARG 66 20.926 19.963 23.596 1051 HH21 ARG 66 HH21 ARG 66 19.755 21.158 26.482 1052 HH22 ARG 66 HH22 ARG 66 20.124 19.771 25.444 Start of MODEL 10 1 H1 GLY -3 H1 GLY -3 2.483 2.382 4.105 2 H2 GLY -3 H2 GLY -3 2.609 3.632 5.152 3 H3 GLY -3 H3 GLY -3 1.983 2.206 5.658 4 HA2 GLY -3 HA2 GLY -3 4.215 2.437 6.498 5 HA3 GLY -3 HA3 GLY -3 4.099 1.097 5.339 6 HA PRO -2 HA PRO -2 7.661 4.025 4.536 7 HB2 PRO -2 HB2 PRO -2 8.970 1.364 3.956 8 HB3 PRO -2 HB3 PRO -2 9.671 2.819 4.736 9 HG2 PRO -2 HG2 PRO -2 8.852 0.762 6.263 10 HG3 PRO -2 HG3 PRO -2 8.402 2.433 6.738 11 HD2 PRO -2 HD2 PRO -2 6.731 0.381 5.249 12 HD3 PRO -2 HD3 PRO -2 6.281 1.410 6.637 13 H GLY -1 H GLY -1 6.202 1.680 2.379 14 HA2 GLY -1 HA2 GLY -1 7.581 2.412 -0.051 15 HA3 GLY -1 HA3 GLY -1 6.032 1.579 0.085 16 H SER 0 H SER 0 5.125 4.054 1.789 17 HA SER 0 HA SER 0 4.097 5.655 -0.467 18 HB2 SER 0 HB2 SER 0 2.669 6.712 1.120 19 HB3 SER 0 HB3 SER 0 2.610 4.974 1.412 20 HG SER 0 HG SER 0 4.033 5.270 3.186 21 H MET 1 H MET 1 4.104 8.047 -0.290 22 HA MET 1 HA MET 1 6.302 9.328 1.168 23 HB2 MET 1 HB2 MET 1 7.368 10.316 -0.752 24 HB3 MET 1 HB3 MET 1 7.407 8.571 -0.869 25 HG2 MET 1 HG2 MET 1 6.959 9.281 -3.037 26 HG3 MET 1 HG3 MET 1 5.408 8.716 -2.429 27 HE1 MET 1 HE1 MET 1 7.341 12.239 -2.012 28 HE2 MET 1 HE2 MET 1 7.553 11.730 -3.706 29 HE3 MET 1 HE3 MET 1 6.540 13.142 -3.315 30 H CYS 2 H CYS 2 6.270 11.691 0.918 31 HA CYS 2 HA CYS 2 3.702 12.914 0.081 32 HB2 CYS 2 HB2 CYS 2 3.569 12.321 2.499 33 HB3 CYS 2 HB3 CYS 2 5.013 13.264 2.802 34 H MET 3 H MET 3 3.926 15.365 0.161 35 HA MET 3 HA MET 3 6.615 16.486 -0.046 36 HB2 MET 3 HB2 MET 3 6.332 17.407 -2.271 37 HB3 MET 3 HB3 MET 3 6.207 15.643 -2.330 38 HG2 MET 3 HG2 MET 3 3.667 15.955 -2.230 39 HG3 MET 3 HG3 MET 3 3.949 17.659 -2.562 40 HE1 MET 3 HE1 MET 3 5.353 17.695 -6.173 41 HE2 MET 3 HE2 MET 3 4.802 18.647 -4.782 42 HE3 MET 3 HE3 MET 3 6.322 17.708 -4.684 43 H ALA 4 H ALA 4 6.648 18.737 0.183 44 HA ALA 4 HA ALA 4 4.092 20.136 0.878 45 HB1 ALA 4 HB1 ALA 4 5.056 19.240 2.940 46 HB2 ALA 4 HB2 ALA 4 6.646 19.958 2.539 47 HB3 ALA 4 HB3 ALA 4 5.262 20.992 2.930 48 H LYS 5 H LYS 5 4.698 22.524 1.453 49 HA LYS 5 HA LYS 5 6.865 23.551 -0.343 50 HB2 LYS 5 HB2 LYS 5 5.769 25.682 -0.468 51 HB3 LYS 5 HB3 LYS 5 4.732 24.411 -1.106 52 HG2 LYS 5 HG2 LYS 5 3.367 24.454 0.957 53 HG3 LYS 5 HG3 LYS 5 4.466 25.666 1.666 54 HD2 LYS 5 HD2 LYS 5 3.938 27.200 -0.216 55 HD3 LYS 5 HD3 LYS 5 2.744 26.033 -0.810 56 HE2 LYS 5 HE2 LYS 5 1.460 26.233 1.275 57 HE3 LYS 5 HE3 LYS 5 2.719 27.288 1.978 58 HZ1 LYS 5 HZ1 LYS 5 1.059 27.964 -0.390 59 HZ2 LYS 5 HZ2 LYS 5 0.895 28.610 1.095 60 HZ3 LYS 5 HZ3 LYS 5 2.254 28.905 0.221 61 H VAL 6 H VAL 6 8.324 24.929 0.449 62 HA VAL 6 HA VAL 6 8.572 25.245 3.411 63 HB VAL 6 HB VAL 6 10.537 25.379 1.128 64 HG11 VAL 6 HG11 VAL 6 11.070 27.419 2.344 65 HG12 VAL 6 HG12 VAL 6 10.995 26.552 3.902 66 HG13 VAL 6 HG13 VAL 6 12.273 26.185 2.737 67 HG21 VAL 6 HG21 VAL 6 10.631 24.063 3.882 68 HG22 VAL 6 HG22 VAL 6 10.095 23.247 2.392 69 HG23 VAL 6 HG23 VAL 6 11.761 23.817 2.542 70 H VAL 7 H VAL 7 8.508 27.219 4.379 71 HA VAL 7 HA VAL 7 8.572 29.650 2.702 72 HB VAL 7 HB VAL 7 6.214 29.208 3.063 73 HG11 VAL 7 HG11 VAL 7 6.726 29.547 6.047 74 HG12 VAL 7 HG12 VAL 7 5.154 29.363 5.246 75 HG13 VAL 7 HG13 VAL 7 6.312 28.022 5.249 76 HG21 VAL 7 HG21 VAL 7 5.562 31.382 3.839 77 HG22 VAL 7 HG22 VAL 7 7.120 31.611 4.686 78 HG23 VAL 7 HG23 VAL 7 7.062 31.544 2.902 79 H LEU 8 H LEU 8 9.678 31.319 3.510 80 HA LEU 8 HA LEU 8 10.672 31.384 6.277 81 HB2 LEU 8 HB2 LEU 8 12.995 31.195 5.710 82 HB3 LEU 8 HB3 LEU 8 12.137 29.806 5.088 83 HG LEU 8 HG LEU 8 12.100 31.184 2.808 84 HD11 LEU 8 HD11 LEU 8 14.547 32.327 4.246 85 HD12 LEU 8 HD12 LEU 8 14.279 32.386 2.496 86 HD13 LEU 8 HD13 LEU 8 13.193 33.256 3.572 87 HD21 LEU 8 HD21 LEU 8 14.184 30.067 2.165 88 HD22 LEU 8 HD22 LEU 8 14.570 29.777 3.877 89 HD23 LEU 8 HD23 LEU 8 13.158 29.009 3.122 90 H THR 9 H THR 9 12.073 33.363 6.638 91 HA THR 9 HA THR 9 11.594 35.567 4.703 92 HB THR 9 HB THR 9 11.052 35.880 7.677 93 HG1 THR 9 HG1 THR 9 9.392 34.767 6.709 94 HG21 THR 9 HG21 THR 9 10.083 38.067 6.977 95 HG22 THR 9 HG22 THR 9 11.814 37.991 6.630 96 HG23 THR 9 HG23 THR 9 10.629 37.788 5.318 97 H LYS 10 H LYS 10 13.284 36.799 4.351 98 HA LYS 10 HA LYS 10 15.901 36.266 5.461 99 HB2 LYS 10 HB2 LYS 10 14.836 38.582 3.779 100 HB3 LYS 10 HB3 LYS 10 16.542 38.265 4.084 101 HG2 LYS 10 HG2 LYS 10 16.444 36.149 2.892 102 HG3 LYS 10 HG3 LYS 10 14.700 36.341 2.613 103 HD2 LYS 10 HD2 LYS 10 15.163 38.500 1.410 104 HD3 LYS 10 HD3 LYS 10 16.900 38.187 1.556 105 HE2 LYS 10 HE2 LYS 10 14.873 36.370 0.171 106 HE3 LYS 10 HE3 LYS 10 15.871 37.570 -0.651 107 HZ1 LYS 10 HZ1 LYS 10 16.938 35.232 0.840 108 HZ2 LYS 10 HZ2 LYS 10 16.886 35.390 -0.791 109 HZ3 LYS 10 HZ3 LYS 10 17.846 36.364 0.095 110 H ALA 11 H ALA 11 17.329 37.849 6.410 111 HA ALA 11 HA ALA 11 16.365 39.245 8.733 112 HB1 ALA 11 HB1 ALA 11 18.680 40.076 8.851 113 HB2 ALA 11 HB2 ALA 11 18.654 38.331 8.480 114 HB3 ALA 11 HB3 ALA 11 18.991 39.524 7.191 115 H ASP 12 H ASP 12 16.820 40.241 5.383 116 HA ASP 12 HA ASP 12 16.413 43.082 5.733 117 HB2 ASP 12 HB2 ASP 12 16.127 41.237 3.325 118 HB3 ASP 12 HB3 ASP 12 16.184 42.990 3.255 119 H GLY 13 H GLY 13 14.216 40.571 6.169 120 HA2 GLY 13 HA2 GLY 13 11.955 40.680 6.611 121 HA3 GLY 13 HA3 GLY 13 11.854 42.305 5.948 122 H GLY 14 H GLY 14 13.430 40.219 3.752 123 HA2 GLY 14 HA2 GLY 14 11.188 40.237 1.860 124 HA3 GLY 14 HA3 GLY 14 12.810 39.587 1.609 125 H ARG 15 H ARG 15 9.599 38.726 1.966 126 HA ARG 15 HA ARG 15 10.003 36.089 3.207 127 HB2 ARG 15 HB2 ARG 15 7.933 37.535 3.436 128 HB3 ARG 15 HB3 ARG 15 7.525 37.112 1.762 129 HG2 ARG 15 HG2 ARG 15 7.424 34.712 2.406 130 HG3 ARG 15 HG3 ARG 15 7.982 35.119 4.042 131 HD2 ARG 15 HD2 ARG 15 5.976 36.568 4.338 132 HD3 ARG 15 HD3 ARG 15 5.375 36.012 2.762 133 HE ARG 15 HE ARG 15 5.985 33.745 4.380 134 HH11 ARG 15 HH11 ARG 15 3.597 36.302 4.322 135 HH12 ARG 15 HH12 ARG 15 2.416 35.354 5.195 136 HH21 ARG 15 HH21 ARG 15 4.426 32.588 5.513 137 HH22 ARG 15 HH22 ARG 15 2.875 33.316 5.826 138 H VAL 16 H VAL 16 10.100 34.155 2.264 139 HA VAL 16 HA VAL 16 10.200 33.908 -0.717 140 HB VAL 16 HB VAL 16 12.270 32.883 1.254 141 HG11 VAL 16 HG11 VAL 16 12.005 31.216 -0.493 142 HG12 VAL 16 HG12 VAL 16 12.086 32.474 -1.751 143 HG13 VAL 16 HG13 VAL 16 13.504 32.088 -0.749 144 HG21 VAL 16 HG21 VAL 16 13.867 34.280 -0.017 145 HG22 VAL 16 HG22 VAL 16 12.516 34.935 -0.971 146 HG23 VAL 16 HG23 VAL 16 12.626 35.262 0.772 147 H GLU 17 H GLU 17 9.450 32.011 -1.533 148 HA GLU 17 HA GLU 17 8.503 29.866 0.272 149 HB2 GLU 17 HB2 GLU 17 6.667 31.462 -0.037 150 HB3 GLU 17 HB3 GLU 17 6.877 31.383 -1.790 151 HG2 GLU 17 HG2 GLU 17 6.233 28.977 -1.729 152 HG3 GLU 17 HG3 GLU 17 6.022 29.089 0.019 153 H ILE 18 H ILE 18 8.752 27.841 -0.549 154 HA ILE 18 HA ILE 18 9.708 27.501 -3.373 155 HB ILE 18 HB ILE 18 10.918 26.244 -0.891 156 HG12 ILE 18 HG12 ILE 18 12.185 28.292 -2.766 157 HG13 ILE 18 HG13 ILE 18 11.540 28.668 -1.166 158 HG21 ILE 18 HG21 ILE 18 12.558 25.229 -2.403 159 HG22 ILE 18 HG22 ILE 18 10.948 24.730 -2.881 160 HG23 ILE 18 HG23 ILE 18 11.785 25.993 -3.807 161 HD11 ILE 18 HD11 ILE 18 13.904 26.869 -1.717 162 HD12 ILE 18 HD12 ILE 18 13.886 28.459 -0.952 163 HD13 ILE 18 HD13 ILE 18 13.136 27.086 -0.116 164 H GLY 19 H GLY 19 8.396 26.151 -4.397 165 HA2 GLY 19 HA2 GLY 19 6.512 24.413 -2.960 166 HA3 GLY 19 HA3 GLY 19 6.538 24.735 -4.687 167 H ASP 20 H ASP 20 6.038 22.253 -3.784 168 HA ASP 20 HA ASP 20 6.511 20.083 -4.061 169 HB2 ASP 20 HB2 ASP 20 8.347 21.038 -6.277 170 HB3 ASP 20 HB3 ASP 20 7.553 19.475 -6.155 171 H VAL 21 H VAL 21 7.995 21.056 -1.948 172 HA VAL 21 HA VAL 21 10.746 20.064 -2.035 173 HB VAL 21 HB VAL 21 9.040 21.121 0.237 174 HG11 VAL 21 HG11 VAL 21 12.002 20.422 0.221 175 HG12 VAL 21 HG12 VAL 21 11.171 21.347 1.479 176 HG13 VAL 21 HG13 VAL 21 10.735 19.668 1.210 177 HG21 VAL 21 HG21 VAL 21 9.592 22.814 -1.458 178 HG22 VAL 21 HG22 VAL 21 10.518 23.115 0.008 179 HG23 VAL 21 HG23 VAL 21 11.311 22.357 -1.388 180 H LEU 22 H LEU 22 11.474 18.119 -1.523 181 HA LEU 22 HA LEU 22 9.595 16.061 -0.429 182 HB2 LEU 22 HB2 LEU 22 12.317 15.799 -1.782 183 HB3 LEU 22 HB3 LEU 22 11.363 14.476 -1.128 184 HG LEU 22 HG LEU 22 10.651 16.208 -3.515 185 HD11 LEU 22 HD11 LEU 22 10.751 13.989 -4.671 186 HD12 LEU 22 HD12 LEU 22 12.296 14.412 -3.906 187 HD13 LEU 22 HD13 LEU 22 11.208 13.221 -3.152 188 HD21 LEU 22 HD21 LEU 22 8.677 14.694 -3.768 189 HD22 LEU 22 HD22 LEU 22 8.993 14.054 -2.140 190 HD23 LEU 22 HD23 LEU 22 8.557 15.765 -2.371 191 H GLU 23 H GLU 23 12.582 17.806 0.378 192 HA GLU 23 HA GLU 23 12.422 16.822 3.108 193 HB2 GLU 23 HB2 GLU 23 14.653 15.825 3.192 194 HB3 GLU 23 HB3 GLU 23 13.574 14.930 2.143 195 HG2 GLU 23 HG2 GLU 23 14.659 16.157 0.166 196 HG3 GLU 23 HG3 GLU 23 15.848 16.780 1.329 197 H VAL 24 H VAL 24 13.662 17.875 4.605 198 HA VAL 24 HA VAL 24 15.250 20.242 3.780 199 HB VAL 24 HB VAL 24 13.027 20.393 5.845 200 HG11 VAL 24 HG11 VAL 24 14.868 21.895 6.430 201 HG12 VAL 24 HG12 VAL 24 14.895 22.544 4.780 202 HG13 VAL 24 HG13 VAL 24 13.491 22.818 5.836 203 HG21 VAL 24 HG21 VAL 24 12.022 20.360 3.622 204 HG22 VAL 24 HG22 VAL 24 11.930 21.978 4.306 205 HG23 VAL 24 HG23 VAL 24 13.155 21.603 3.066 206 H ARG 25 H ARG 25 16.913 20.684 5.066 207 HA ARG 25 HA ARG 25 17.323 19.178 7.647 208 HB2 ARG 25 HB2 ARG 25 19.328 19.793 5.438 209 HB3 ARG 25 HB3 ARG 25 19.776 19.210 7.038 210 HG2 ARG 25 HG2 ARG 25 18.685 17.080 6.683 211 HG3 ARG 25 HG3 ARG 25 17.918 17.649 5.190 212 HD2 ARG 25 HD2 ARG 25 19.825 16.200 4.692 213 HD3 ARG 25 HD3 ARG 25 20.056 17.830 4.064 214 HE ARG 25 HE ARG 25 21.652 18.322 5.819 215 HH11 ARG 25 HH11 ARG 25 20.986 14.877 5.600 216 HH12 ARG 25 HH12 ARG 25 22.449 14.487 6.470 217 HH21 ARG 25 HH21 ARG 25 23.344 17.804 6.916 218 HH22 ARG 25 HH22 ARG 25 23.774 16.123 7.208 219 H ALA 26 H ALA 26 18.240 20.334 9.292 220 HA ALA 26 HA ALA 26 19.198 23.117 8.773 221 HB1 ALA 26 HB1 ALA 26 18.552 23.651 11.073 222 HB2 ALA 26 HB2 ALA 26 17.141 23.132 10.125 223 HB3 ALA 26 HB3 ALA 26 17.882 22.016 11.296 224 H GLU 27 H GLU 27 21.300 22.949 8.571 225 HA GLU 27 HA GLU 27 23.015 21.076 10.063 226 HB2 GLU 27 HB2 GLU 27 23.812 23.495 8.411 227 HB3 GLU 27 HB3 GLU 27 24.817 22.129 8.851 228 HG2 GLU 27 HG2 GLU 27 22.497 22.115 6.869 229 HG3 GLU 27 HG3 GLU 27 24.210 22.086 6.484 230 H GLY 28 H GLY 28 25.028 22.252 11.119 231 HA2 GLY 28 HA2 GLY 28 24.130 23.798 13.387 232 HA3 GLY 28 HA3 GLY 28 25.790 23.339 13.001 233 H GLY 29 H GLY 29 23.456 25.419 11.247 234 HA2 GLY 29 HA2 GLY 29 24.161 27.949 11.810 235 HA3 GLY 29 HA3 GLY 29 25.522 27.488 10.787 236 H ALA 30 H ALA 30 23.016 25.815 9.405 237 HA ALA 30 HA ALA 30 21.748 27.960 7.885 238 HB1 ALA 30 HB1 ALA 30 24.001 27.825 6.818 239 HB2 ALA 30 HB2 ALA 30 23.759 26.091 6.543 240 HB3 ALA 30 HB3 ALA 30 22.725 27.270 5.712 241 H VAL 31 H VAL 31 20.039 27.188 6.547 242 HA VAL 31 HA VAL 31 19.281 24.314 6.904 243 HB VAL 31 HB VAL 31 17.086 24.866 5.976 244 HG11 VAL 31 HG11 VAL 31 17.430 24.897 8.388 245 HG12 VAL 31 HG12 VAL 31 17.920 26.601 8.316 246 HG13 VAL 31 HG13 VAL 31 16.255 26.138 7.914 247 HG21 VAL 31 HG21 VAL 31 17.673 26.739 4.538 248 HG22 VAL 31 HG22 VAL 31 16.419 27.230 5.675 249 HG23 VAL 31 HG23 VAL 31 18.097 27.725 5.961 250 H ARG 32 H ARG 32 18.578 23.081 5.168 251 HA ARG 32 HA ARG 32 19.320 23.881 2.391 252 HB2 ARG 32 HB2 ARG 32 20.058 21.266 3.756 253 HB3 ARG 32 HB3 ARG 32 20.150 21.543 2.010 254 HG2 ARG 32 HG2 ARG 32 21.857 23.246 2.293 255 HG3 ARG 32 HG3 ARG 32 21.693 23.209 4.057 256 HD2 ARG 32 HD2 ARG 32 23.660 21.977 3.430 257 HD3 ARG 32 HD3 ARG 32 22.446 20.902 4.138 258 HE ARG 32 HE ARG 32 22.450 21.058 1.171 259 HH11 ARG 32 HH11 ARG 32 23.558 19.184 3.940 260 HH12 ARG 32 HH12 ARG 32 23.947 17.814 2.929 261 HH21 ARG 32 HH21 ARG 32 22.866 19.384 0.036 262 HH22 ARG 32 HH22 ARG 32 23.538 17.894 0.720 263 H VAL 33 H VAL 33 17.823 23.361 0.957 264 HA VAL 33 HA VAL 33 15.427 21.696 1.689 265 HB VAL 33 HB VAL 33 15.571 24.357 0.206 266 HG11 VAL 33 HG11 VAL 33 13.088 24.298 0.216 267 HG12 VAL 33 HG12 VAL 33 13.801 23.032 -0.788 268 HG13 VAL 33 HG13 VAL 33 13.166 22.621 0.818 269 HG21 VAL 33 HG21 VAL 33 14.281 23.736 2.885 270 HG22 VAL 33 HG22 VAL 33 15.798 24.631 2.655 271 HG23 VAL 33 HG23 VAL 33 14.294 25.297 2.044 272 H THR 34 H THR 34 14.788 20.215 0.148 273 HA THR 34 HA THR 34 16.014 20.387 -2.585 274 HB THR 34 HB THR 34 15.725 17.920 -0.873 275 HG1 THR 34 HG1 THR 34 18.039 19.279 -1.802 276 HG21 THR 34 HG21 THR 34 16.858 18.269 -3.680 277 HG22 THR 34 HG22 THR 34 17.087 16.818 -2.669 278 HG23 THR 34 HG23 THR 34 15.469 17.270 -3.212 279 H THR 35 H THR 35 14.728 20.151 -4.275 280 HA THR 35 HA THR 35 11.861 19.670 -3.803 281 HB THR 35 HB THR 35 11.435 20.602 -5.931 282 HG1 THR 35 HG1 THR 35 13.101 21.184 -7.318 283 HG21 THR 35 HG21 THR 35 12.034 22.229 -4.137 284 HG22 THR 35 HG22 THR 35 13.704 22.253 -4.738 285 HG23 THR 35 HG23 THR 35 12.371 22.823 -5.766 286 H LEU 36 H LEU 36 10.555 18.521 -5.358 287 HA LEU 36 HA LEU 36 11.143 15.828 -5.898 288 HB2 LEU 36 HB2 LEU 36 8.901 16.775 -5.754 289 HB3 LEU 36 HB3 LEU 36 9.228 17.849 -7.106 290 HG LEU 36 HG LEU 36 9.269 15.938 -8.664 291 HD11 LEU 36 HD11 LEU 36 10.020 14.128 -7.155 292 HD12 LEU 36 HD12 LEU 36 8.503 14.253 -6.242 293 HD13 LEU 36 HD13 LEU 36 8.488 13.716 -7.935 294 HD21 LEU 36 HD21 LEU 36 6.904 15.424 -8.601 295 HD22 LEU 36 HD22 LEU 36 6.801 15.919 -6.899 296 HD23 LEU 36 HD23 LEU 36 7.152 17.135 -8.152 297 H PHE 37 H PHE 37 11.970 18.652 -7.786 298 HA PHE 37 HA PHE 37 12.869 17.004 -10.088 299 HB2 PHE 37 HB2 PHE 37 12.441 20.005 -9.925 300 HB3 PHE 37 HB3 PHE 37 12.805 19.076 -11.376 301 HD1 PHE 37 HD1 PHE 37 10.154 20.220 -9.177 302 HD2 PHE 37 HD2 PHE 37 11.179 17.203 -12.081 303 HE1 PHE 37 HE1 PHE 37 7.744 19.628 -9.427 304 HE2 PHE 37 HE2 PHE 37 8.780 16.595 -12.313 305 HZ PHE 37 HZ PHE 37 7.070 17.798 -10.974 306 H ASP 38 H ASP 38 14.272 17.432 -7.410 307 HA ASP 38 HA ASP 38 16.328 17.472 -6.606 308 HB2 ASP 38 HB2 ASP 38 16.478 15.719 -8.420 309 HB3 ASP 38 HB3 ASP 38 17.303 16.918 -9.420 310 H GLU 39 H GLU 39 15.283 20.082 -7.382 311 HA GLU 39 HA GLU 39 17.767 21.668 -7.787 312 HB2 GLU 39 HB2 GLU 39 14.979 22.601 -7.014 313 HB3 GLU 39 HB3 GLU 39 16.379 23.609 -7.399 314 HG2 GLU 39 HG2 GLU 39 16.400 22.490 -9.697 315 HG3 GLU 39 HG3 GLU 39 14.829 21.796 -9.289 316 H GLU 40 H GLU 40 18.886 22.642 -6.124 317 HA GLU 40 HA GLU 40 18.030 22.065 -3.324 318 HB2 GLU 40 HB2 GLU 40 19.974 20.737 -3.923 319 HB3 GLU 40 HB3 GLU 40 20.851 22.190 -4.438 320 HG2 GLU 40 HG2 GLU 40 20.863 23.067 -2.151 321 HG3 GLU 40 HG3 GLU 40 19.801 21.755 -1.609 322 H HIS 41 H HIS 41 17.896 23.684 -1.933 323 HA HIS 41 HA HIS 41 18.957 26.398 -2.625 324 HB2 HIS 41 HB2 HIS 41 16.263 25.880 -1.304 325 HB3 HIS 41 HB3 HIS 41 16.949 27.415 -1.832 326 HD2 HIS 41 HD2 HIS 41 15.081 24.330 -3.103 327 HE1 HIS 41 HE1 HIS 41 15.427 26.927 -6.467 328 HE2 HIS 41 HE2 HIS 41 14.362 24.805 -5.604 329 H ALA 42 H ALA 42 19.807 27.551 -0.853 330 HA ALA 42 HA ALA 42 19.658 26.316 1.823 331 HB1 ALA 42 HB1 ALA 42 22.301 26.760 0.365 332 HB2 ALA 42 HB2 ALA 42 22.112 26.197 2.029 333 HB3 ALA 42 HB3 ALA 42 21.533 25.181 0.688 334 H PHE 43 H PHE 43 20.094 27.640 3.534 335 HA PHE 43 HA PHE 43 20.468 30.554 3.010 336 HB2 PHE 43 HB2 PHE 43 18.062 29.417 4.435 337 HB3 PHE 43 HB3 PHE 43 18.424 31.111 4.174 338 HD1 PHE 43 HD1 PHE 43 18.184 32.119 1.904 339 HD2 PHE 43 HD2 PHE 43 17.131 28.010 2.661 340 HE1 PHE 43 HE1 PHE 43 16.981 32.021 -0.267 341 HE2 PHE 43 HE2 PHE 43 15.967 27.896 0.476 342 HZ PHE 43 HZ PHE 43 15.887 29.907 -0.995 343 HA PRO 44 HA PRO 44 22.735 29.749 6.875 344 HB2 PRO 44 HB2 PRO 44 23.406 32.660 6.475 345 HB3 PRO 44 HB3 PRO 44 24.482 31.302 6.937 346 HG2 PRO 44 HG2 PRO 44 24.505 32.234 4.400 347 HG3 PRO 44 HG3 PRO 44 24.513 30.459 4.696 348 HD2 PRO 44 HD2 PRO 44 22.150 32.229 3.998 349 HD3 PRO 44 HD3 PRO 44 22.636 30.644 3.304 350 H GLY 45 H GLY 45 22.478 30.277 9.028 351 HA2 GLY 45 HA2 GLY 45 21.731 31.294 10.948 352 HA3 GLY 45 HA3 GLY 45 21.179 32.662 9.973 353 H LEU 46 H LEU 46 19.778 29.665 9.000 354 HA LEU 46 HA LEU 46 17.278 30.255 10.542 355 HB2 LEU 46 HB2 LEU 46 17.585 28.857 7.882 356 HB3 LEU 46 HB3 LEU 46 16.069 29.112 8.740 357 HG LEU 46 HG LEU 46 17.829 31.235 7.448 358 HD11 LEU 46 HD11 LEU 46 16.385 29.855 5.952 359 HD12 LEU 46 HD12 LEU 46 14.968 30.338 6.908 360 HD13 LEU 46 HD13 LEU 46 15.905 31.557 5.995 361 HD21 LEU 46 HD21 LEU 46 15.263 31.575 9.068 362 HD22 LEU 46 HD22 LEU 46 16.868 32.249 9.453 363 HD23 LEU 46 HD23 LEU 46 15.993 32.835 8.044 364 H ALA 47 H ALA 47 15.961 28.515 11.165 365 HA ALA 47 HA ALA 47 16.975 25.747 11.068 366 HB1 ALA 47 HB1 ALA 47 16.418 25.398 13.461 367 HB2 ALA 47 HB2 ALA 47 17.719 26.582 13.264 368 HB3 ALA 47 HB3 ALA 47 16.066 27.128 13.636 369 H ILE 48 H ILE 48 15.148 24.180 11.620 370 HA ILE 48 HA ILE 48 12.698 25.026 10.260 371 HB ILE 48 HB ILE 48 13.395 22.402 11.594 372 HG12 ILE 48 HG12 ILE 48 13.240 22.801 8.596 373 HG13 ILE 48 HG13 ILE 48 14.736 23.185 9.440 374 HG21 ILE 48 HG21 ILE 48 11.063 23.176 9.782 375 HG22 ILE 48 HG22 ILE 48 11.473 21.515 10.214 376 HG23 ILE 48 HG23 ILE 48 10.972 22.642 11.479 377 HD11 ILE 48 HD11 ILE 48 14.836 20.908 8.599 378 HD12 ILE 48 HD12 ILE 48 14.850 20.901 10.367 379 HD13 ILE 48 HD13 ILE 48 13.367 20.470 9.481 380 H GLY 49 H GLY 49 10.993 25.933 11.183 381 HA2 GLY 49 HA2 GLY 49 10.837 26.157 14.151 382 HA3 GLY 49 HA3 GLY 49 10.052 27.179 12.953 383 H ARG 50 H ARG 50 8.829 25.181 11.343 384 HA ARG 50 HA ARG 50 7.185 23.469 13.099 385 HB2 ARG 50 HB2 ARG 50 5.906 25.597 11.306 386 HB3 ARG 50 HB3 ARG 50 5.077 24.207 11.962 387 HG2 ARG 50 HG2 ARG 50 4.412 25.705 13.471 388 HG3 ARG 50 HG3 ARG 50 5.842 25.097 14.297 389 HD2 ARG 50 HD2 ARG 50 7.108 27.122 13.503 390 HD3 ARG 50 HD3 ARG 50 5.668 27.647 12.632 391 HE ARG 50 HE ARG 50 4.742 28.392 14.606 392 HH11 ARG 50 HH11 ARG 50 7.460 26.327 15.602 393 HH12 ARG 50 HH12 ARG 50 7.113 26.686 17.296 394 HH21 ARG 50 HH21 ARG 50 4.507 28.726 16.840 395 HH22 ARG 50 HH22 ARG 50 5.586 27.831 17.913 396 H VAL 51 H VAL 51 6.279 21.753 12.143 397 HA VAL 51 HA VAL 51 6.419 21.407 9.173 398 HB VAL 51 HB VAL 51 7.082 19.287 11.270 399 HG11 VAL 51 HG11 VAL 51 7.450 17.774 9.351 400 HG12 VAL 51 HG12 VAL 51 5.767 18.266 9.481 401 HG13 VAL 51 HG13 VAL 51 6.814 19.017 8.242 402 HG21 VAL 51 HG21 VAL 51 8.789 20.490 9.043 403 HG22 VAL 51 HG22 VAL 51 9.001 20.771 10.780 404 HG23 VAL 51 HG23 VAL 51 9.268 19.158 10.113 405 H ASP 52 H ASP 52 4.373 21.296 8.469 406 HA ASP 52 HA ASP 52 2.241 20.138 10.243 407 HB2 ASP 52 HB2 ASP 52 2.235 22.568 10.328 408 HB3 ASP 52 HB3 ASP 52 2.199 22.675 8.567 409 H LEU 53 H LEU 53 1.888 18.223 9.331 410 HA LEU 53 HA LEU 53 1.968 17.848 6.416 411 HB2 LEU 53 HB2 LEU 53 1.423 15.802 8.591 412 HB3 LEU 53 HB3 LEU 53 1.912 15.509 6.932 413 HG LEU 53 HG LEU 53 3.613 16.752 9.132 414 HD11 LEU 53 HD11 LEU 53 4.999 14.769 8.802 415 HD12 LEU 53 HD12 LEU 53 3.365 14.369 9.338 416 HD13 LEU 53 HD13 LEU 53 3.819 14.132 7.626 417 HD21 LEU 53 HD21 LEU 53 5.470 16.639 7.467 418 HD22 LEU 53 HD22 LEU 53 4.292 16.219 6.202 419 HD23 LEU 53 HD23 LEU 53 4.240 17.813 6.995 420 H ARG 54 H ARG 54 -0.461 18.566 8.675 421 HA ARG 54 HA ARG 54 -2.773 17.523 7.175 422 HB2 ARG 54 HB2 ARG 54 -2.935 17.956 9.554 423 HB3 ARG 54 HB3 ARG 54 -2.417 19.629 9.340 424 HG2 ARG 54 HG2 ARG 54 -4.493 20.163 8.154 425 HG3 ARG 54 HG3 ARG 54 -4.979 18.455 8.186 426 HD2 ARG 54 HD2 ARG 54 -6.101 19.913 9.938 427 HD3 ARG 54 HD3 ARG 54 -5.301 18.482 10.549 428 HE ARG 54 HE ARG 54 -3.741 19.792 11.695 429 HH11 ARG 54 HH11 ARG 54 -5.539 21.972 9.615 430 HH12 ARG 54 HH12 ARG 54 -4.774 23.376 10.295 431 HH21 ARG 54 HH21 ARG 54 -2.769 21.599 12.472 432 HH22 ARG 54 HH22 ARG 54 -3.221 23.164 11.845 433 H SER 55 H SER 55 -1.125 20.669 7.516 434 HA SER 55 HA SER 55 -2.605 21.936 5.338 435 HB2 SER 55 HB2 SER 55 -1.706 23.122 7.339 436 HB3 SER 55 HB3 SER 55 -0.064 22.804 6.752 437 HG SER 55 HG SER 55 -2.116 24.398 5.570 438 H GLY 56 H GLY 56 0.551 20.320 5.598 439 HA2 GLY 56 HA2 GLY 56 1.906 19.453 3.901 440 HA3 GLY 56 HA3 GLY 56 0.925 20.249 2.667 441 H VAL 57 H VAL 57 2.568 21.598 5.576 442 HA VAL 57 HA VAL 57 4.231 23.388 3.860 443 HB VAL 57 HB VAL 57 2.424 24.313 6.119 444 HG11 VAL 57 HG11 VAL 57 4.467 25.649 6.141 445 HG12 VAL 57 HG12 VAL 57 4.377 25.892 4.380 446 HG13 VAL 57 HG13 VAL 57 3.163 26.606 5.457 447 HG21 VAL 57 HG21 VAL 57 1.150 23.942 4.042 448 HG22 VAL 57 HG22 VAL 57 1.319 25.671 4.353 449 HG23 VAL 57 HG23 VAL 57 2.338 24.896 3.124 450 H ILE 58 H ILE 58 6.181 23.903 4.630 451 HA ILE 58 HA ILE 58 6.971 23.144 7.414 452 HB ILE 58 HB ILE 58 8.628 23.099 4.868 453 HG12 ILE 58 HG12 ILE 58 8.083 20.742 6.715 454 HG13 ILE 58 HG13 ILE 58 7.020 21.113 5.370 455 HG21 ILE 58 HG21 ILE 58 9.986 23.926 6.733 456 HG22 ILE 58 HG22 ILE 58 9.450 22.572 7.769 457 HG23 ILE 58 HG23 ILE 58 10.482 22.289 6.358 458 HD11 ILE 58 HD11 ILE 58 9.973 20.475 5.109 459 HD12 ILE 58 HD12 ILE 58 8.613 19.422 4.700 460 HD13 ILE 58 HD13 ILE 58 8.889 20.909 3.772 461 H SER 59 H SER 59 7.483 24.879 8.629 462 HA SER 59 HA SER 59 7.988 27.512 7.268 463 HB2 SER 59 HB2 SER 59 6.902 27.081 10.062 464 HB3 SER 59 HB3 SER 59 7.156 28.617 9.238 465 HG SER 59 HG SER 59 5.323 26.550 8.538 466 H LEU 60 H LEU 60 9.902 28.437 7.532 467 HA LEU 60 HA LEU 60 11.792 27.346 9.583 468 HB2 LEU 60 HB2 LEU 60 12.523 28.900 7.105 469 HB3 LEU 60 HB3 LEU 60 13.580 27.974 8.161 470 HG LEU 60 HG LEU 60 11.460 26.835 6.271 471 HD11 LEU 60 HD11 LEU 60 13.562 27.683 5.218 472 HD12 LEU 60 HD12 LEU 60 14.464 26.548 6.249 473 HD13 LEU 60 HD13 LEU 60 13.336 25.922 5.039 474 HD21 LEU 60 HD21 LEU 60 11.628 25.364 8.237 475 HD22 LEU 60 HD22 LEU 60 12.403 24.622 6.846 476 HD23 LEU 60 HD23 LEU 60 13.406 25.376 8.098 477 H ILE 61 H ILE 61 13.095 28.714 10.778 478 HA ILE 61 HA ILE 61 12.247 31.551 11.103 479 HB ILE 61 HB ILE 61 12.044 31.285 13.508 480 HG12 ILE 61 HG12 ILE 61 11.661 28.611 14.105 481 HG13 ILE 61 HG13 ILE 61 13.031 28.514 12.998 482 HG21 ILE 61 HG21 ILE 61 9.896 30.175 13.598 483 HG22 ILE 61 HG22 ILE 61 10.046 31.081 12.083 484 HG23 ILE 61 HG23 ILE 61 10.219 29.318 12.080 485 HD11 ILE 61 HD11 ILE 61 13.722 28.658 15.353 486 HD12 ILE 61 HD12 ILE 61 14.317 30.030 14.417 487 HD13 ILE 61 HD13 ILE 61 12.910 30.232 15.505 488 H GLU 62 H GLU 62 13.701 32.788 12.503 489 HA GLU 62 HA GLU 62 16.463 32.382 11.710 490 HB2 GLU 62 HB2 GLU 62 15.106 34.420 13.514 491 HB3 GLU 62 HB3 GLU 62 16.841 34.338 13.315 492 HG2 GLU 62 HG2 GLU 62 16.119 34.322 10.684 493 HG3 GLU 62 HG3 GLU 62 14.742 35.185 11.344 494 H GLU 63 H GLU 63 17.912 31.141 12.589 495 HA GLU 63 HA GLU 63 17.718 29.916 15.214 496 HB2 GLU 63 HB2 GLU 63 18.847 28.888 13.215 497 HB3 GLU 63 HB3 GLU 63 20.073 30.153 13.290 498 HG2 GLU 63 HG2 GLU 63 20.546 29.372 15.687 499 HG3 GLU 63 HG3 GLU 63 19.457 28.032 15.384 500 H GLN 64 H GLN 64 17.890 31.198 16.999 501 HA GLN 64 HA GLN 64 19.505 33.656 16.939 502 HB2 GLN 64 HB2 GLN 64 17.411 32.534 18.806 503 HB3 GLN 64 HB3 GLN 64 18.319 33.991 19.203 504 HG2 GLN 64 HG2 GLN 64 17.324 35.269 17.564 505 HG3 GLN 64 HG3 GLN 64 17.136 33.926 16.442 506 HE21 GLN 64 HE21 GLN 64 15.158 32.920 16.279 507 HE22 GLN 64 HE22 GLN 64 13.786 33.331 17.305 508 H ASN 65 H ASN 65 20.567 30.702 17.339 509 HA ASN 65 HA ASN 65 22.064 30.777 19.785 510 HB2 ASN 65 HB2 ASN 65 22.320 29.135 17.220 511 HB3 ASN 65 HB3 ASN 65 23.143 28.819 18.726 512 HD21 ASN 65 HD21 ASN 65 21.937 26.679 18.070 513 HD22 ASN 65 HD22 ASN 65 20.396 26.472 18.919 514 H ARG 66 H ARG 66 22.495 32.289 16.728 515 HA ARG 66 HA ARG 66 25.345 32.400 16.429 516 HB2 ARG 66 HB2 ARG 66 23.071 34.173 15.479 517 HB3 ARG 66 HB3 ARG 66 24.746 34.455 15.012 518 HG2 ARG 66 HG2 ARG 66 24.925 32.340 13.893 519 HG3 ARG 66 HG3 ARG 66 23.341 31.798 14.463 520 HD2 ARG 66 HD2 ARG 66 23.730 34.233 12.677 521 HD3 ARG 66 HD3 ARG 66 23.372 32.605 12.070 522 HE ARG 66 HE ARG 66 21.376 32.903 13.848 523 HH11 ARG 66 HH11 ARG 66 22.308 35.157 11.301 524 HH12 ARG 66 HH12 ARG 66 20.669 35.780 11.218 525 HH21 ARG 66 HH21 ARG 66 19.472 33.747 13.685 526 HH22 ARG 66 HH22 ARG 66 19.102 35.027 12.519 527 H1 GLY -3 H1 GLY -3 -14.086 20.444 2.386 528 H2 GLY -3 H2 GLY -3 -14.493 20.442 3.976 529 H3 GLY -3 H3 GLY -3 -15.496 19.759 2.870 530 HA2 GLY -3 HA2 GLY -3 -14.328 18.040 4.063 531 HA3 GLY -3 HA3 GLY -3 -13.887 18.056 2.348 532 HA PRO -2 HA PRO -2 -10.179 18.731 5.311 533 HB2 PRO -2 HB2 PRO -2 -9.098 16.233 5.550 534 HB3 PRO -2 HB3 PRO -2 -10.429 16.822 6.589 535 HG2 PRO -2 HG2 PRO -2 -10.655 15.122 4.074 536 HG3 PRO -2 HG3 PRO -2 -11.392 14.824 5.678 537 HD2 PRO -2 HD2 PRO -2 -12.796 16.023 3.691 538 HD3 PRO -2 HD3 PRO -2 -12.964 16.552 5.390 539 H GLY -1 H GLY -1 -10.538 16.928 2.284 540 HA2 GLY -1 HA2 GLY -1 -9.301 16.944 0.326 541 HA3 GLY -1 HA3 GLY -1 -8.349 18.283 0.980 542 H SER 0 H SER 0 -6.623 17.143 -0.209 543 HA SER 0 HA SER 0 -5.486 14.668 0.711 544 HB2 SER 0 HB2 SER 0 -4.136 16.996 -0.717 545 HB3 SER 0 HB3 SER 0 -3.504 15.338 -0.560 546 HG SER 0 HG SER 0 -4.577 15.727 -2.574 547 H MET 1 H MET 1 -4.007 14.214 2.242 548 HA MET 1 HA MET 1 -2.469 16.244 3.681 549 HB2 MET 1 HB2 MET 1 -3.396 15.712 5.889 550 HB3 MET 1 HB3 MET 1 -4.600 16.424 4.840 551 HG2 MET 1 HG2 MET 1 -5.734 14.737 5.978 552 HG3 MET 1 HG3 MET 1 -5.496 14.109 4.362 553 HE1 MET 1 HE1 MET 1 -4.645 13.836 8.181 554 HE2 MET 1 HE2 MET 1 -3.369 12.600 8.222 555 HE3 MET 1 HE3 MET 1 -3.021 14.200 7.547 556 H CYS 2 H CYS 2 -1.162 15.175 5.458 557 HA CYS 2 HA CYS 2 -0.379 12.367 4.832 558 HB2 CYS 2 HB2 CYS 2 1.465 14.781 4.957 559 HB3 CYS 2 HB3 CYS 2 2.006 13.115 4.860 560 H MET 3 H MET 3 1.228 11.547 6.455 561 HA MET 3 HA MET 3 1.534 12.992 8.963 562 HB2 MET 3 HB2 MET 3 0.747 11.287 10.453 563 HB3 MET 3 HB3 MET 3 -0.550 11.724 9.355 564 HG2 MET 3 HG2 MET 3 -0.706 9.419 9.493 565 HG3 MET 3 HG3 MET 3 0.124 9.660 7.962 566 HE1 MET 3 HE1 MET 3 1.483 6.229 9.394 567 HE2 MET 3 HE2 MET 3 -0.147 6.901 9.632 568 HE3 MET 3 HE3 MET 3 0.652 7.040 8.050 569 H ALA 4 H ALA 4 3.221 12.024 10.326 570 HA ALA 4 HA ALA 4 5.133 10.204 8.915 571 HB1 ALA 4 HB1 ALA 4 5.753 12.939 10.131 572 HB2 ALA 4 HB2 ALA 4 6.960 11.810 9.516 573 HB3 ALA 4 HB3 ALA 4 5.781 12.514 8.397 574 H LYS 5 H LYS 5 7.057 9.781 10.451 575 HA LYS 5 HA LYS 5 6.183 9.558 13.296 576 HB2 LYS 5 HB2 LYS 5 7.700 7.688 13.616 577 HB3 LYS 5 HB3 LYS 5 6.439 7.342 12.436 578 HG2 LYS 5 HG2 LYS 5 8.057 7.706 10.585 579 HG3 LYS 5 HG3 LYS 5 9.335 8.055 11.766 580 HD2 LYS 5 HD2 LYS 5 9.105 5.800 12.717 581 HD3 LYS 5 HD3 LYS 5 7.784 5.419 11.607 582 HE2 LYS 5 HE2 LYS 5 10.623 6.142 10.725 583 HE3 LYS 5 HE3 LYS 5 10.049 4.493 10.979 584 HZ1 LYS 5 HZ1 LYS 5 8.389 4.855 9.248 585 HZ2 LYS 5 HZ2 LYS 5 8.884 6.395 8.996 586 HZ3 LYS 5 HZ3 LYS 5 9.872 5.132 8.651 587 H VAL 6 H VAL 6 7.377 10.368 14.855 588 HA VAL 6 HA VAL 6 9.687 12.116 14.138 589 HB VAL 6 HB VAL 6 7.862 11.976 16.537 590 HG11 VAL 6 HG11 VAL 6 9.185 13.835 17.540 591 HG12 VAL 6 HG12 VAL 6 10.049 12.305 17.551 592 HG13 VAL 6 HG13 VAL 6 10.464 13.545 16.340 593 HG21 VAL 6 HG21 VAL 6 7.226 13.314 14.490 594 HG22 VAL 6 HG22 VAL 6 7.401 14.288 15.963 595 HG23 VAL 6 HG23 VAL 6 8.688 14.291 14.752 596 H VAL 7 H VAL 7 11.708 11.782 14.888 597 HA VAL 7 HA VAL 7 12.184 9.699 16.954 598 HB VAL 7 HB VAL 7 12.844 8.700 14.849 599 HG11 VAL 7 HG11 VAL 7 14.847 10.973 14.545 600 HG12 VAL 7 HG12 VAL 7 14.732 9.528 13.518 601 HG13 VAL 7 HG13 VAL 7 13.419 10.703 13.517 602 HG21 VAL 7 HG21 VAL 7 15.036 7.983 15.480 603 HG22 VAL 7 HG22 VAL 7 15.321 9.444 16.458 604 HG23 VAL 7 HG23 VAL 7 14.112 8.246 16.963 605 H LEU 8 H LEU 8 13.483 10.256 18.578 606 HA LEU 8 HA LEU 8 15.021 12.771 18.530 607 HB2 LEU 8 HB2 LEU 8 13.778 13.829 20.284 608 HB3 LEU 8 HB3 LEU 8 12.688 13.385 18.990 609 HG LEU 8 HG LEU 8 12.192 11.248 20.506 610 HD11 LEU 8 HD11 LEU 8 13.810 11.709 22.318 611 HD12 LEU 8 HD12 LEU 8 13.147 13.338 22.539 612 HD13 LEU 8 HD13 LEU 8 12.179 11.919 22.935 613 HD21 LEU 8 HD21 LEU 8 10.544 12.995 19.868 614 HD22 LEU 8 HD22 LEU 8 10.341 12.462 21.541 615 HD23 LEU 8 HD23 LEU 8 11.129 14.020 21.190 616 H THR 9 H THR 9 16.241 13.119 20.556 617 HA THR 9 HA THR 9 16.642 10.688 22.216 618 HB THR 9 HB THR 9 18.958 12.251 21.039 619 HG1 THR 9 HG1 THR 9 18.037 10.927 19.496 620 HG21 THR 9 HG21 THR 9 20.330 10.400 21.945 621 HG22 THR 9 HG22 THR 9 19.540 11.328 23.229 622 HG23 THR 9 HG23 THR 9 18.894 9.741 22.752 623 H LYS 10 H LYS 10 16.666 11.107 24.304 624 HA LYS 10 HA LYS 10 16.231 13.733 25.405 625 HB2 LYS 10 HB2 LYS 10 17.016 11.086 26.705 626 HB3 LYS 10 HB3 LYS 10 16.476 12.509 27.600 627 HG2 LYS 10 HG2 LYS 10 14.267 12.406 26.536 628 HG3 LYS 10 HG3 LYS 10 14.780 11.030 25.536 629 HD2 LYS 10 HD2 LYS 10 15.289 9.742 27.646 630 HD3 LYS 10 HD3 LYS 10 14.600 11.060 28.590 631 HE2 LYS 10 HE2 LYS 10 13.138 9.455 26.445 632 HE3 LYS 10 HE3 LYS 10 13.058 9.107 28.165 633 HZ1 LYS 10 HZ1 LYS 10 12.120 11.630 26.924 634 HZ2 LYS 10 HZ2 LYS 10 11.171 10.434 27.505 635 HZ3 LYS 10 HZ3 LYS 10 12.087 11.308 28.534 636 H ALA 11 H ALA 11 17.498 14.730 27.112 637 HA ALA 11 HA ALA 11 20.268 15.193 26.537 638 HB1 ALA 11 HB1 ALA 11 18.647 15.706 29.075 639 HB2 ALA 11 HB2 ALA 11 20.207 16.448 28.657 640 HB3 ALA 11 HB3 ALA 11 18.765 16.808 27.678 641 H ASP 12 H ASP 12 18.668 12.803 28.591 642 HA ASP 12 HA ASP 12 21.056 11.814 29.917 643 HB2 ASP 12 HB2 ASP 12 18.248 10.685 29.527 644 HB3 ASP 12 HB3 ASP 12 19.478 10.002 30.581 645 H GLY 13 H GLY 13 20.150 11.588 26.699 646 HA2 GLY 13 HA2 GLY 13 21.217 10.421 25.001 647 HA3 GLY 13 HA3 GLY 13 21.917 9.302 26.161 648 H GLY 14 H GLY 14 18.550 9.571 26.693 649 HA2 GLY 14 HA2 GLY 14 18.032 6.861 25.719 650 HA3 GLY 14 HA3 GLY 14 16.908 7.937 26.542 651 H ARG 15 H ARG 15 17.577 6.473 23.603 652 HA ARG 15 HA ARG 15 16.413 8.513 21.841 653 HB2 ARG 15 HB2 ARG 15 18.265 6.914 21.220 654 HB3 ARG 15 HB3 ARG 15 17.063 5.612 21.196 655 HG2 ARG 15 HG2 ARG 15 15.822 6.757 19.395 656 HG3 ARG 15 HG3 ARG 15 16.902 8.164 19.515 657 HD2 ARG 15 HD2 ARG 15 18.831 6.669 18.914 658 HD3 ARG 15 HD3 ARG 15 17.683 5.341 18.669 659 HE ARG 15 HE ARG 15 16.803 7.527 17.091 660 HH11 ARG 15 HH11 ARG 15 19.556 5.346 17.126 661 HH12 ARG 15 HH12 ARG 15 19.799 5.481 15.402 662 HH21 ARG 15 HH21 ARG 15 17.229 7.703 14.910 663 HH22 ARG 15 HH22 ARG 15 18.531 6.791 14.206 664 H VAL 16 H VAL 16 14.424 8.578 20.957 665 HA VAL 16 HA VAL 16 12.313 6.626 21.777 666 HB VAL 16 HB VAL 16 12.239 9.629 22.195 667 HG11 VAL 16 HG11 VAL 16 10.003 9.265 23.224 668 HG12 VAL 16 HG12 VAL 16 10.002 8.928 21.497 669 HG13 VAL 16 HG13 VAL 16 10.035 7.580 22.664 670 HG21 VAL 16 HG21 VAL 16 12.179 7.343 24.192 671 HG22 VAL 16 HG22 VAL 16 13.456 8.568 24.005 672 HG23 VAL 16 HG23 VAL 16 11.851 9.038 24.590 673 H GLU 17 H GLU 17 10.570 6.466 20.383 674 HA GLU 17 HA GLU 17 10.511 8.189 17.959 675 HB2 GLU 17 HB2 GLU 17 10.168 5.171 18.032 676 HB3 GLU 17 HB3 GLU 17 9.740 6.204 16.655 677 HG2 GLU 17 HG2 GLU 17 12.087 6.984 16.514 678 HG3 GLU 17 HG3 GLU 17 12.541 5.883 17.816 679 H ILE 18 H ILE 18 8.472 8.657 17.119 680 HA ILE 18 HA ILE 18 6.063 7.813 18.684 681 HB ILE 18 HB ILE 18 6.685 10.668 17.886 682 HG12 ILE 18 HG12 ILE 18 6.600 9.560 20.729 683 HG13 ILE 18 HG13 ILE 18 8.089 9.881 19.835 684 HG21 ILE 18 HG21 ILE 18 4.270 10.116 17.830 685 HG22 ILE 18 HG22 ILE 18 4.363 9.529 19.497 686 HG23 ILE 18 HG23 ILE 18 4.621 11.241 19.130 687 HD11 ILE 18 HD11 ILE 18 6.063 11.949 20.697 688 HD12 ILE 18 HD12 ILE 18 7.739 11.727 21.228 689 HD13 ILE 18 HD13 ILE 18 7.418 12.282 19.582 690 H GLY 19 H GLY 19 4.602 6.991 17.331 691 HA2 GLY 19 HA2 GLY 19 4.776 7.435 14.412 692 HA3 GLY 19 HA3 GLY 19 3.798 6.242 15.240 693 H ASP 20 H ASP 20 2.744 7.602 13.168 694 HA ASP 20 HA ASP 20 0.966 8.763 12.457 695 HB2 ASP 20 HB2 ASP 20 -0.161 8.306 15.226 696 HB3 ASP 20 HB3 ASP 20 -1.061 8.530 13.726 697 H VAL 21 H VAL 21 3.015 10.507 13.382 698 HA VAL 21 HA VAL 21 1.831 12.749 14.832 699 HB VAL 21 HB VAL 21 4.500 12.482 13.413 700 HG11 VAL 21 HG11 VAL 21 3.884 14.844 13.533 701 HG12 VAL 21 HG12 VAL 21 3.421 14.669 15.247 702 HG13 VAL 21 HG13 VAL 21 5.116 14.483 14.729 703 HG21 VAL 21 HG21 VAL 21 3.708 12.335 16.356 704 HG22 VAL 21 HG22 VAL 21 4.307 10.988 15.360 705 HG23 VAL 21 HG23 VAL 21 5.375 12.345 15.746 706 H LEU 22 H LEU 22 0.732 14.366 14.034 707 HA LEU 22 HA LEU 22 0.340 14.615 11.105 708 HB2 LEU 22 HB2 LEU 22 -1.575 14.287 12.699 709 HB3 LEU 22 HB3 LEU 22 -1.164 15.816 13.468 710 HG LEU 22 HG LEU 22 -1.560 16.945 11.232 711 HD11 LEU 22 HD11 LEU 22 -1.324 15.139 9.686 712 HD12 LEU 22 HD12 LEU 22 -2.586 14.177 10.492 713 HD13 LEU 22 HD13 LEU 22 -3.006 15.661 9.612 714 HD21 LEU 22 HD21 LEU 22 -3.995 16.906 11.432 715 HD22 LEU 22 HD22 LEU 22 -3.917 15.443 12.421 716 HD23 LEU 22 HD23 LEU 22 -3.244 16.971 13.028 717 H GLU 23 H GLU 23 1.477 16.490 13.927 718 HA GLU 23 HA GLU 23 2.986 18.235 12.158 719 HB2 GLU 23 HB2 GLU 23 2.059 20.349 12.968 720 HB3 GLU 23 HB3 GLU 23 0.885 19.418 12.048 721 HG2 GLU 23 HG2 GLU 23 -0.187 18.688 14.192 722 HG3 GLU 23 HG3 GLU 23 0.969 19.694 15.076 723 H VAL 24 H VAL 24 4.493 19.559 13.168 724 HA VAL 24 HA VAL 24 5.201 18.997 16.000 725 HB VAL 24 HB VAL 24 7.117 18.709 13.647 726 HG11 VAL 24 HG11 VAL 24 8.254 19.552 15.682 727 HG12 VAL 24 HG12 VAL 24 7.576 18.206 16.623 728 HG13 VAL 24 HG13 VAL 24 8.729 17.899 15.312 729 HG21 VAL 24 HG21 VAL 24 5.954 16.589 15.483 730 HG22 VAL 24 HG22 VAL 24 5.677 16.747 13.738 731 HG23 VAL 24 HG23 VAL 24 7.285 16.322 14.338 732 H ARG 25 H ARG 25 6.173 20.723 17.030 733 HA ARG 25 HA ARG 25 6.786 23.199 15.433 734 HB2 ARG 25 HB2 ARG 25 5.008 23.135 17.908 735 HB3 ARG 25 HB3 ARG 25 5.484 24.542 16.975 736 HG2 ARG 25 HG2 ARG 25 4.262 23.468 14.972 737 HG3 ARG 25 HG3 ARG 25 3.641 22.277 16.126 738 HD2 ARG 25 HD2 ARG 25 2.634 24.105 17.474 739 HD3 ARG 25 HD3 ARG 25 3.287 25.287 16.321 740 HE ARG 25 HE ARG 25 1.491 23.164 15.246 741 HH11 ARG 25 HH11 ARG 25 1.659 26.529 16.242 742 HH12 ARG 25 HH12 ARG 25 0.204 26.936 15.361 743 HH21 ARG 25 HH21 ARG 25 -0.272 23.691 14.251 744 HH22 ARG 25 HH22 ARG 25 -0.887 25.352 14.223 745 H ALA 26 H ALA 26 8.725 23.930 15.900 746 HA ALA 26 HA ALA 26 10.046 23.340 18.496 747 HB1 ALA 26 HB1 ALA 26 11.071 24.633 15.928 748 HB2 ALA 26 HB2 ALA 26 12.030 24.308 17.386 749 HB3 ALA 26 HB3 ALA 26 11.341 22.961 16.452 750 H GLU 27 H GLU 27 9.563 24.647 20.092 751 HA GLU 27 HA GLU 27 8.864 27.505 19.709 752 HB2 GLU 27 HB2 GLU 27 8.932 25.883 22.265 753 HB3 GLU 27 HB3 GLU 27 8.125 27.428 21.995 754 HG2 GLU 27 HG2 GLU 27 7.281 24.740 20.816 755 HG3 GLU 27 HG3 GLU 27 6.549 25.560 22.178 756 H GLY 28 H GLY 28 9.851 28.801 21.835 757 HA2 GLY 28 HA2 GLY 28 12.536 29.348 21.134 758 HA3 GLY 28 HA3 GLY 28 11.676 29.951 22.548 759 H GLY 29 H GLY 29 11.461 26.871 23.295 760 HA2 GLY 29 HA2 GLY 29 14.227 26.102 23.892 761 HA3 GLY 29 HA3 GLY 29 13.293 26.600 25.309 762 H ALA 30 H ALA 30 11.574 24.915 22.722 763 HA ALA 30 HA ALA 30 11.827 22.251 23.857 764 HB1 ALA 30 HB1 ALA 30 9.484 22.086 24.625 765 HB2 ALA 30 HB2 ALA 30 10.308 23.366 25.525 766 HB3 ALA 30 HB3 ALA 30 9.208 23.789 24.203 767 H VAL 31 H VAL 31 10.650 20.651 22.612 768 HA VAL 31 HA VAL 31 9.300 21.671 20.123 769 HB VAL 31 HB VAL 31 10.651 18.998 20.512 770 HG11 VAL 31 HG11 VAL 31 8.627 18.538 19.241 771 HG12 VAL 31 HG12 VAL 31 8.871 19.995 18.239 772 HG13 VAL 31 HG13 VAL 31 9.964 18.611 18.105 773 HG21 VAL 31 HG21 VAL 31 12.044 19.697 18.677 774 HG22 VAL 31 HG22 VAL 31 11.080 21.173 18.429 775 HG23 VAL 31 HG23 VAL 31 12.066 20.981 19.888 776 H ARG 32 H ARG 32 7.253 21.212 19.756 777 HA ARG 32 HA ARG 32 5.711 19.390 21.574 778 HB2 ARG 32 HB2 ARG 32 4.795 21.714 19.823 779 HB3 ARG 32 HB3 ARG 32 3.721 20.649 20.751 780 HG2 ARG 32 HG2 ARG 32 4.665 21.419 22.854 781 HG3 ARG 32 HG3 ARG 32 5.917 22.360 22.015 782 HD2 ARG 32 HD2 ARG 32 4.196 23.873 22.762 783 HD3 ARG 32 HD3 ARG 32 4.200 23.787 20.991 784 HE ARG 32 HE ARG 32 2.319 21.879 22.055 785 HH11 ARG 32 HH11 ARG 32 2.563 25.362 21.603 786 HH12 ARG 32 HH12 ARG 32 0.832 25.558 21.641 787 HH21 ARG 32 HH21 ARG 32 0.260 22.147 22.052 788 HH22 ARG 32 HH22 ARG 32 -0.495 23.743 21.903 789 H VAL 33 H VAL 33 4.615 17.729 20.714 790 HA VAL 33 HA VAL 33 4.704 17.192 17.756 791 HB VAL 33 HB VAL 33 5.300 15.245 20.029 792 HG11 VAL 33 HG11 VAL 33 5.230 14.818 17.023 793 HG12 VAL 33 HG12 VAL 33 5.816 13.643 18.211 794 HG13 VAL 33 HG13 VAL 33 4.110 14.104 18.205 795 HG21 VAL 33 HG21 VAL 33 7.240 16.680 19.590 796 HG22 VAL 33 HG22 VAL 33 7.536 15.036 19.032 797 HG23 VAL 33 HG23 VAL 33 7.146 16.304 17.855 798 H THR 34 H THR 34 2.670 16.875 16.971 799 HA THR 34 HA THR 34 0.526 15.898 18.846 800 HB THR 34 HB THR 34 0.319 18.075 16.731 801 HG1 THR 34 HG1 THR 34 1.257 18.809 18.587 802 HG21 THR 34 HG21 THR 34 -1.773 16.899 18.620 803 HG22 THR 34 HG22 THR 34 -1.959 18.423 17.724 804 HG23 THR 34 HG23 THR 34 -1.808 16.899 16.845 805 H THR 35 H THR 35 -0.694 14.283 18.220 806 HA THR 35 HA THR 35 -0.401 13.103 15.512 807 HB THR 35 HB THR 35 -1.489 11.163 16.378 808 HG1 THR 35 HG1 THR 35 -1.731 12.558 18.833 809 HG21 THR 35 HG21 THR 35 0.917 11.340 16.922 810 HG22 THR 35 HG22 THR 35 0.505 12.079 18.488 811 HG23 THR 35 HG23 THR 35 0.010 10.415 18.125 812 H LEU 36 H LEU 36 -2.306 12.343 14.347 813 HA LEU 36 HA LEU 36 -4.513 14.235 14.324 814 HB2 LEU 36 HB2 LEU 36 -5.282 13.164 12.430 815 HB3 LEU 36 HB3 LEU 36 -3.536 13.196 12.289 816 HG LEU 36 HG LEU 36 -5.230 10.752 12.956 817 HD11 LEU 36 HD11 LEU 36 -5.399 11.570 10.622 818 HD12 LEU 36 HD12 LEU 36 -3.633 11.600 10.493 819 HD13 LEU 36 HD13 LEU 36 -4.496 10.049 10.687 820 HD21 LEU 36 HD21 LEU 36 -3.045 10.458 14.003 821 HD22 LEU 36 HD22 LEU 36 -3.091 9.500 12.530 822 HD23 LEU 36 HD23 LEU 36 -2.219 11.057 12.530 823 H PHE 37 H PHE 37 -3.960 11.679 16.383 824 HA PHE 37 HA PHE 37 -6.833 11.154 16.917 825 HB2 PHE 37 HB2 PHE 37 -4.327 10.068 18.241 826 HB3 PHE 37 HB3 PHE 37 -5.982 9.560 18.568 827 HD1 PHE 37 HD1 PHE 37 -7.374 8.682 16.500 828 HD2 PHE 37 HD2 PHE 37 -3.065 8.906 16.593 829 HE1 PHE 37 HE1 PHE 37 -7.253 7.041 14.648 830 HE2 PHE 37 HE2 PHE 37 -2.949 7.246 14.746 831 HZ PHE 37 HZ PHE 37 -5.031 6.330 13.755 832 H ASP 38 H ASP 38 -4.957 13.704 17.472 833 HA ASP 38 HA ASP 38 -4.865 15.422 18.848 834 HB2 ASP 38 HB2 ASP 38 -7.391 15.183 18.627 835 HB3 ASP 38 HB3 ASP 38 -7.386 14.462 20.235 836 H GLU 39 H GLU 39 -3.702 12.761 19.720 837 HA GLU 39 HA GLU 39 -3.108 13.328 22.565 838 HB2 GLU 39 HB2 GLU 39 -1.821 11.340 20.655 839 HB3 GLU 39 HB3 GLU 39 -1.470 11.515 22.364 840 HG2 GLU 39 HG2 GLU 39 -4.114 10.630 21.125 841 HG3 GLU 39 HG3 GLU 39 -2.928 9.596 21.918 842 H GLU 40 H GLU 40 -1.305 14.417 23.255 843 HA GLU 40 HA GLU 40 0.602 15.503 21.241 844 HB2 GLU 40 HB2 GLU 40 -1.106 17.185 21.656 845 HB3 GLU 40 HB3 GLU 40 -0.835 17.067 23.400 846 HG2 GLU 40 HG2 GLU 40 1.417 17.959 23.182 847 HG3 GLU 40 HG3 GLU 40 1.313 17.940 21.430 848 H HIS 41 H HIS 41 2.647 15.775 21.857 849 HA HIS 41 HA HIS 41 3.507 15.076 24.630 850 HB2 HIS 41 HB2 HIS 41 5.041 14.361 22.116 851 HB3 HIS 41 HB3 HIS 41 5.331 13.812 23.767 852 HD2 HIS 41 HD2 HIS 41 3.329 13.029 20.636 853 HE1 HIS 41 HE1 HIS 41 2.152 10.100 23.496 854 HE2 HIS 41 HE2 HIS 41 2.008 10.775 21.055 855 H ALA 42 H ALA 42 5.339 16.216 25.385 856 HA ALA 42 HA ALA 42 6.452 18.349 23.650 857 HB1 ALA 42 HB1 ALA 42 4.644 19.396 24.944 858 HB2 ALA 42 HB2 ALA 42 5.360 18.813 26.456 859 HB3 ALA 42 HB3 ALA 42 6.232 19.995 25.467 860 H PHE 43 H PHE 43 8.517 18.858 23.944 861 HA PHE 43 HA PHE 43 10.158 17.336 25.943 862 HB2 PHE 43 HB2 PHE 43 10.603 17.479 22.949 863 HB3 PHE 43 HB3 PHE 43 11.638 16.681 24.126 864 HD1 PHE 43 HD1 PHE 43 10.704 14.697 25.463 865 HD2 PHE 43 HD2 PHE 43 8.734 16.344 21.991 866 HE1 PHE 43 HE1 PHE 43 9.314 12.635 25.261 867 HE2 PHE 43 HE2 PHE 43 7.381 14.283 21.771 868 HZ PHE 43 HZ PHE 43 7.638 12.439 23.442 869 HA PRO 44 HA PRO 44 11.758 21.647 26.067 870 HB2 PRO 44 HB2 PRO 44 12.795 20.488 28.637 871 HB3 PRO 44 HB3 PRO 44 12.145 22.120 28.313 872 HG2 PRO 44 HG2 PRO 44 10.580 20.279 29.544 873 HG3 PRO 44 HG3 PRO 44 9.888 21.277 28.220 874 HD2 PRO 44 HD2 PRO 44 10.957 18.445 28.041 875 HD3 PRO 44 HD3 PRO 44 9.427 19.116 27.400 876 H GLY 45 H GLY 45 13.783 22.373 25.595 877 HA2 GLY 45 HA2 GLY 45 16.065 22.413 25.231 878 HA3 GLY 45 HA3 GLY 45 16.223 20.821 25.988 879 H LEU 46 H LEU 46 13.940 20.886 23.396 880 HA LEU 46 HA LEU 46 15.967 19.827 21.470 881 HB2 LEU 46 HB2 LEU 46 12.996 19.209 21.604 882 HB3 LEU 46 HB3 LEU 46 14.124 18.616 20.399 883 HG LEU 46 HG LEU 46 14.034 17.895 23.345 884 HD11 LEU 46 HD11 LEU 46 13.839 16.197 20.818 885 HD12 LEU 46 HD12 LEU 46 13.569 15.672 22.501 886 HD13 LEU 46 HD13 LEU 46 12.444 16.788 21.722 887 HD21 LEU 46 HD21 LEU 46 16.110 17.071 21.254 888 HD22 LEU 46 HD22 LEU 46 16.414 17.999 22.745 889 HD23 LEU 46 HD23 LEU 46 15.904 16.320 22.856 890 H ALA 47 H ALA 47 15.580 20.164 19.247 891 HA ALA 47 HA ALA 47 13.589 22.148 18.362 892 HB1 ALA 47 HB1 ALA 47 15.607 23.509 18.654 893 HB2 ALA 47 HB2 ALA 47 16.559 22.360 17.695 894 HB3 ALA 47 HB3 ALA 47 15.262 23.293 16.926 895 H ILE 48 H ILE 48 13.296 22.000 15.911 896 HA ILE 48 HA ILE 48 13.418 19.193 15.030 897 HB ILE 48 HB ILE 48 12.438 21.653 13.570 898 HG12 ILE 48 HG12 ILE 48 10.608 19.518 14.696 899 HG13 ILE 48 HG13 ILE 48 11.122 20.839 15.716 900 HG21 ILE 48 HG21 ILE 48 13.046 19.876 11.987 901 HG22 ILE 48 HG22 ILE 48 12.172 18.669 12.945 902 HG23 ILE 48 HG23 ILE 48 11.289 19.935 12.091 903 HD11 ILE 48 HD11 ILE 48 10.270 22.492 14.040 904 HD12 ILE 48 HD12 ILE 48 9.603 21.134 13.105 905 HD13 ILE 48 HD13 ILE 48 9.013 21.460 14.743 906 H GLY 49 H GLY 49 15.056 18.335 13.922 907 HA2 GLY 49 HA2 GLY 49 17.242 20.095 12.893 908 HA3 GLY 49 HA3 GLY 49 17.374 18.400 13.332 909 H ARG 50 H ARG 50 15.046 17.456 11.838 910 HA ARG 50 HA ARG 50 15.563 18.143 8.995 911 HB2 ARG 50 HB2 ARG 50 15.747 15.246 9.873 912 HB3 ARG 50 HB3 ARG 50 16.021 15.903 8.275 913 HG2 ARG 50 HG2 ARG 50 18.082 17.018 9.049 914 HG3 ARG 50 HG3 ARG 50 17.853 16.356 10.673 915 HD2 ARG 50 HD2 ARG 50 18.240 14.707 8.129 916 HD3 ARG 50 HD3 ARG 50 19.474 15.064 9.341 917 HE ARG 50 HE ARG 50 17.031 13.746 10.358 918 HH11 ARG 50 HH11 ARG 50 20.303 13.086 9.262 919 HH12 ARG 50 HH12 ARG 50 20.309 11.520 10.036 920 HH21 ARG 50 HH21 ARG 50 17.135 11.869 11.335 921 HH22 ARG 50 HH22 ARG 50 18.560 10.846 11.221 922 H VAL 51 H VAL 51 14.011 17.389 7.548 923 HA VAL 51 HA VAL 51 11.883 15.594 8.479 924 HB VAL 51 HB VAL 51 10.773 17.596 8.972 925 HG11 VAL 51 HG11 VAL 51 11.384 18.650 6.182 926 HG12 VAL 51 HG12 VAL 51 10.342 19.418 7.400 927 HG13 VAL 51 HG13 VAL 51 12.072 19.259 7.715 928 HG21 VAL 51 HG21 VAL 51 8.839 17.510 7.485 929 HG22 VAL 51 HG22 VAL 51 9.795 16.711 6.229 930 HG23 VAL 51 HG23 VAL 51 9.453 15.862 7.745 931 H ASP 52 H ASP 52 11.651 14.052 7.093 932 HA ASP 52 HA ASP 52 12.491 14.372 4.228 933 HB2 ASP 52 HB2 ASP 52 12.741 11.920 6.002 934 HB3 ASP 52 HB3 ASP 52 13.204 12.048 4.304 935 H LEU 53 H LEU 53 10.341 14.845 3.549 936 HA LEU 53 HA LEU 53 8.066 13.191 4.268 937 HB2 LEU 53 HB2 LEU 53 8.361 15.110 1.927 938 HB3 LEU 53 HB3 LEU 53 6.871 14.503 2.621 939 HG LEU 53 HG LEU 53 8.803 16.446 3.934 940 HD11 LEU 53 HD11 LEU 53 7.399 17.422 2.221 941 HD12 LEU 53 HD12 LEU 53 5.938 16.714 2.956 942 HD13 LEU 53 HD13 LEU 53 6.871 17.954 3.822 943 HD21 LEU 53 HD21 LEU 53 7.074 16.584 5.743 944 HD22 LEU 53 HD22 LEU 53 6.210 15.219 5.003 945 HD23 LEU 53 HD23 LEU 53 7.825 14.993 5.700 946 H ARG 54 H ARG 54 10.496 13.049 1.796 947 HA ARG 54 HA ARG 54 9.460 11.050 0.042 948 HB2 ARG 54 HB2 ARG 54 11.486 12.435 -0.264 949 HB3 ARG 54 HB3 ARG 54 12.303 11.549 1.030 950 HG2 ARG 54 HG2 ARG 54 12.283 9.503 -0.300 951 HG3 ARG 54 HG3 ARG 54 11.225 10.237 -1.513 952 HD2 ARG 54 HD2 ARG 54 13.554 10.185 -2.321 953 HD3 ARG 54 HD3 ARG 54 12.991 11.834 -2.137 954 HE ARG 54 HE ARG 54 14.470 12.212 -0.351 955 HH11 ARG 54 HH11 ARG 54 14.734 8.801 -1.193 956 HH12 ARG 54 HH12 ARG 54 16.167 8.621 -0.214 957 HH21 ARG 54 HH21 ARG 54 16.176 11.940 0.761 958 HH22 ARG 54 HH22 ARG 54 17.007 10.385 0.885 959 H SER 55 H SER 55 10.679 10.777 3.326 960 HA SER 55 HA SER 55 10.516 7.788 3.280 961 HB2 SER 55 HB2 SER 55 12.684 8.876 3.867 962 HB3 SER 55 HB3 SER 55 11.897 9.661 5.243 963 HG SER 55 HG SER 55 12.342 6.890 4.797 964 H GLY 56 H GLY 56 9.092 10.649 4.746 965 HA2 GLY 56 HA2 GLY 56 7.133 10.833 6.004 966 HA3 GLY 56 HA3 GLY 56 7.042 9.083 6.194 967 H VAL 57 H VAL 57 9.787 11.267 6.933 968 HA VAL 57 HA VAL 57 9.640 10.476 9.810 969 HB VAL 57 HB VAL 57 12.074 10.331 8.010 970 HG11 VAL 57 HG11 VAL 57 11.878 9.896 11.030 971 HG12 VAL 57 HG12 VAL 57 13.276 9.463 10.020 972 HG13 VAL 57 HG13 VAL 57 12.821 11.157 10.203 973 HG21 VAL 57 HG21 VAL 57 10.576 8.213 9.605 974 HG22 VAL 57 HG22 VAL 57 10.573 8.365 7.840 975 HG23 VAL 57 HG23 VAL 57 12.069 7.938 8.677 976 H ILE 58 H ILE 58 10.189 11.946 11.299 977 HA ILE 58 HA ILE 58 11.398 14.565 10.485 978 HB ILE 58 HB ILE 58 9.222 14.040 12.532 979 HG12 ILE 58 HG12 ILE 58 9.090 15.888 10.113 980 HG13 ILE 58 HG13 ILE 58 8.548 14.213 10.058 981 HG21 ILE 58 HG21 ILE 58 10.791 15.731 13.423 982 HG22 ILE 58 HG22 ILE 58 10.705 16.642 11.902 983 HG23 ILE 58 HG23 ILE 58 9.291 16.511 12.955 984 HD11 ILE 58 HD11 ILE 58 6.613 15.549 10.427 985 HD12 ILE 58 HD12 ILE 58 6.949 14.676 11.921 986 HD13 ILE 58 HD13 ILE 58 7.361 16.409 11.772 987 H SER 59 H SER 59 13.215 15.113 11.628 988 HA SER 59 HA SER 59 14.063 13.317 13.884 989 HB2 SER 59 HB2 SER 59 15.851 14.916 12.045 990 HB3 SER 59 HB3 SER 59 16.344 13.777 13.294 991 HG SER 59 HG SER 59 14.719 13.034 11.070 992 H LEU 60 H LEU 60 14.277 14.259 15.825 993 HA LEU 60 HA LEU 60 14.573 17.228 16.016 994 HB2 LEU 60 HB2 LEU 60 14.015 15.278 18.246 995 HB3 LEU 60 HB3 LEU 60 13.941 17.037 18.309 996 HG LEU 60 HG LEU 60 12.032 15.168 16.847 997 HD11 LEU 60 HD11 LEU 60 11.650 17.161 19.120 998 HD12 LEU 60 HD12 LEU 60 10.371 16.156 18.388 999 HD13 LEU 60 HD13 LEU 60 11.696 15.409 19.281 1000 HD21 LEU 60 HD21 LEU 60 10.749 17.225 16.267 1001 HD22 LEU 60 HD22 LEU 60 12.104 18.228 16.831 1002 HD23 LEU 60 HD23 LEU 60 12.274 17.143 15.419 1003 H ILE 61 H ILE 61 16.120 18.148 17.314 1004 HA ILE 61 HA ILE 61 18.526 16.546 18.054 1005 HB ILE 61 HB ILE 61 20.007 18.260 17.175 1006 HG12 ILE 61 HG12 ILE 61 18.786 19.804 15.324 1007 HG13 ILE 61 HG13 ILE 61 17.478 19.709 16.500 1008 HG21 ILE 61 HG21 ILE 61 18.148 17.203 15.028 1009 HG22 ILE 61 HG22 ILE 61 19.827 17.740 14.814 1010 HG23 ILE 61 HG23 ILE 61 19.473 16.312 15.798 1011 HD11 ILE 61 HD11 ILE 61 18.916 21.714 16.753 1012 HD12 ILE 61 HD12 ILE 61 18.870 20.724 18.219 1013 HD13 ILE 61 HD13 ILE 61 20.291 20.659 17.142 1014 H GLU 62 H GLU 62 19.985 17.742 19.484 1015 HA GLU 62 HA GLU 62 18.460 18.845 21.736 1016 HB2 GLU 62 HB2 GLU 62 21.418 18.265 21.372 1017 HB3 GLU 62 HB3 GLU 62 20.692 18.897 22.858 1018 HG2 GLU 62 HG2 GLU 62 19.257 16.888 23.026 1019 HG3 GLU 62 HG3 GLU 62 19.957 16.233 21.543 1020 H GLU 63 H GLU 63 17.948 20.912 21.896 1021 HA GLU 63 HA GLU 63 19.251 22.961 20.301 1022 HB2 GLU 63 HB2 GLU 63 16.830 22.955 20.638 1023 HB3 GLU 63 HB3 GLU 63 17.033 23.138 22.384 1024 HG2 GLU 63 HG2 GLU 63 16.358 25.209 21.332 1025 HG3 GLU 63 HG3 GLU 63 17.944 25.386 22.056 1026 H GLN 64 H GLN 64 20.332 24.763 21.047 1027 HA GLN 64 HA GLN 64 21.684 24.647 23.681 1028 HB2 GLN 64 HB2 GLN 64 23.904 24.524 22.597 1029 HB3 GLN 64 HB3 GLN 64 22.915 23.097 22.384 1030 HG2 GLN 64 HG2 GLN 64 22.270 24.226 20.046 1031 HG3 GLN 64 HG3 GLN 64 23.740 25.152 20.332 1032 HE21 GLN 64 HE21 GLN 64 22.463 21.735 20.163 1033 HE22 GLN 64 HE22 GLN 64 23.997 21.072 19.613 1034 H ASN 65 H ASN 65 19.835 26.471 22.752 1035 HA ASN 65 HA ASN 65 20.965 28.893 21.708 1036 HB2 ASN 65 HB2 ASN 65 18.582 28.177 21.540 1037 HB3 ASN 65 HB3 ASN 65 18.397 28.364 23.283 1038 HD21 ASN 65 HD21 ASN 65 19.242 30.143 20.312 1039 HD22 ASN 65 HD22 ASN 65 18.650 31.710 20.899 1040 H ARG 66 H ARG 66 20.863 27.615 24.948 1041 HA ARG 66 HA ARG 66 21.582 30.257 26.175 1042 HB2 ARG 66 HB2 ARG 66 20.157 27.869 27.412 1043 HB3 ARG 66 HB3 ARG 66 20.582 29.367 28.243 1044 HG2 ARG 66 HG2 ARG 66 19.110 30.641 26.686 1045 HG3 ARG 66 HG3 ARG 66 18.640 29.116 25.906 1046 HD2 ARG 66 HD2 ARG 66 17.784 28.280 28.079 1047 HD3 ARG 66 HD3 ARG 66 18.173 29.843 28.822 1048 HE ARG 66 HE ARG 66 16.551 30.355 26.552 1049 HH11 ARG 66 HH11 ARG 66 16.151 28.830 29.676 1050 HH12 ARG 66 HH12 ARG 66 14.445 29.178 29.740 1051 HH21 ARG 66 HH21 ARG 66 14.383 30.760 26.686 1052 HH22 ARG 66 HH22 ARG 66 13.469 30.247 28.075 Start of MODEL 11 1 H1 GLY -3 H1 GLY -3 7.699 2.655 -3.451 2 H2 GLY -3 H2 GLY -3 9.254 2.277 -3.068 3 H3 GLY -3 H3 GLY -3 8.439 3.406 -2.202 4 HA2 GLY -3 HA2 GLY -3 7.753 0.538 -2.331 5 HA3 GLY -3 HA3 GLY -3 8.597 1.322 -0.981 6 HA PRO -2 HA PRO -2 3.916 1.345 -0.337 7 HB2 PRO -2 HB2 PRO -2 3.847 0.135 2.131 8 HB3 PRO -2 HB3 PRO -2 3.867 -0.756 0.586 9 HG2 PRO -2 HG2 PRO -2 6.225 -0.101 2.382 10 HG3 PRO -2 HG3 PRO -2 5.788 -1.686 1.666 11 HD2 PRO -2 HD2 PRO -2 7.651 -0.098 0.517 12 HD3 PRO -2 HD3 PRO -2 6.482 -0.997 -0.499 13 H GLY -1 H GLY -1 6.621 2.370 1.687 14 HA2 GLY -1 HA2 GLY -1 5.088 4.269 3.301 15 HA3 GLY -1 HA3 GLY -1 6.840 4.081 3.234 16 H SER 0 H SER 0 6.219 4.407 0.067 17 HA SER 0 HA SER 0 6.953 7.231 -0.028 18 HB2 SER 0 HB2 SER 0 6.357 5.305 -2.306 19 HB3 SER 0 HB3 SER 0 7.209 6.839 -2.416 20 HG SER 0 HG SER 0 8.908 5.956 -1.192 21 H MET 1 H MET 1 3.759 8.537 -1.124 22 HA MET 1 HA MET 1 6.074 9.252 0.429 23 HB2 MET 1 HB2 MET 1 7.116 10.652 -1.373 24 HB3 MET 1 HB3 MET 1 7.366 8.939 -1.600 25 HG2 MET 1 HG2 MET 1 5.713 8.812 -3.334 26 HG3 MET 1 HG3 MET 1 5.115 10.426 -2.998 27 HE1 MET 1 HE1 MET 1 6.041 12.581 -3.829 28 HE2 MET 1 HE2 MET 1 7.504 12.365 -2.823 29 HE3 MET 1 HE3 MET 1 7.656 12.819 -4.536 30 H CYS 2 H CYS 2 6.107 11.555 0.858 31 HA CYS 2 HA CYS 2 3.706 13.093 -0.060 32 HB2 CYS 2 HB2 CYS 2 5.319 13.512 2.477 33 HB3 CYS 2 HB3 CYS 2 3.895 14.396 1.975 34 H MET 3 H MET 3 4.124 15.481 -0.015 35 HA MET 3 HA MET 3 6.885 16.388 -0.125 36 HB2 MET 3 HB2 MET 3 6.721 17.635 -2.189 37 HB3 MET 3 HB3 MET 3 6.427 15.928 -2.499 38 HG2 MET 3 HG2 MET 3 4.874 17.058 -3.827 39 HG3 MET 3 HG3 MET 3 3.924 16.464 -2.469 40 HE1 MET 3 HE1 MET 3 2.928 18.572 -4.598 41 HE2 MET 3 HE2 MET 3 1.943 18.044 -3.219 42 HE3 MET 3 HE3 MET 3 2.133 19.786 -3.573 43 H ALA 4 H ALA 4 6.954 18.840 -0.006 44 HA ALA 4 HA ALA 4 4.516 20.055 1.207 45 HB1 ALA 4 HB1 ALA 4 5.836 20.774 3.178 46 HB2 ALA 4 HB2 ALA 4 5.783 19.006 3.045 47 HB3 ALA 4 HB3 ALA 4 7.242 19.896 2.555 48 H LYS 5 H LYS 5 4.746 22.322 1.702 49 HA LYS 5 HA LYS 5 6.460 23.918 -0.159 50 HB2 LYS 5 HB2 LYS 5 4.130 24.542 -0.109 51 HB3 LYS 5 HB3 LYS 5 4.100 24.543 1.654 52 HG2 LYS 5 HG2 LYS 5 5.588 26.502 1.707 53 HG3 LYS 5 HG3 LYS 5 5.677 26.502 -0.060 54 HD2 LYS 5 HD2 LYS 5 3.274 26.943 -0.223 55 HD3 LYS 5 HD3 LYS 5 3.085 26.767 1.532 56 HE2 LYS 5 HE2 LYS 5 4.496 28.726 1.938 57 HE3 LYS 5 HE3 LYS 5 4.821 28.880 0.209 58 HZ1 LYS 5 HZ1 LYS 5 3.067 30.401 0.917 59 HZ2 LYS 5 HZ2 LYS 5 2.456 29.321 -0.141 60 HZ3 LYS 5 HZ3 LYS 5 2.144 29.173 1.455 61 H VAL 6 H VAL 6 8.154 25.107 0.613 62 HA VAL 6 HA VAL 6 8.580 25.369 3.573 63 HB VAL 6 HB VAL 6 10.634 25.381 1.344 64 HG11 VAL 6 HG11 VAL 6 11.332 27.075 2.960 65 HG12 VAL 6 HG12 VAL 6 10.953 25.989 4.317 66 HG13 VAL 6 HG13 VAL 6 12.301 25.619 3.226 67 HG21 VAL 6 HG21 VAL 6 10.368 23.609 3.803 68 HG22 VAL 6 HG22 VAL 6 9.843 23.125 2.177 69 HG23 VAL 6 HG23 VAL 6 11.556 23.457 2.487 70 H VAL 7 H VAL 7 8.703 27.433 4.399 71 HA VAL 7 HA VAL 7 8.937 29.715 2.522 72 HB VAL 7 HB VAL 7 6.558 29.295 2.779 73 HG11 VAL 7 HG11 VAL 7 5.360 29.750 4.856 74 HG12 VAL 7 HG12 VAL 7 6.456 28.380 5.048 75 HG13 VAL 7 HG13 VAL 7 6.893 29.951 5.735 76 HG21 VAL 7 HG21 VAL 7 7.326 31.892 4.159 77 HG22 VAL 7 HG22 VAL 7 7.413 31.605 2.402 78 HG23 VAL 7 HG23 VAL 7 5.860 31.546 3.229 79 H LEU 8 H LEU 8 9.829 31.527 3.248 80 HA LEU 8 HA LEU 8 10.636 31.956 6.048 81 HB2 LEU 8 HB2 LEU 8 13.005 32.010 5.585 82 HB3 LEU 8 HB3 LEU 8 12.358 30.462 5.101 83 HG LEU 8 HG LEU 8 12.199 31.786 2.702 84 HD11 LEU 8 HD11 LEU 8 14.686 32.889 4.095 85 HD12 LEU 8 HD12 LEU 8 14.345 32.989 2.358 86 HD13 LEU 8 HD13 LEU 8 13.298 33.839 3.504 87 HD21 LEU 8 HD21 LEU 8 14.222 30.604 2.053 88 HD22 LEU 8 HD22 LEU 8 14.667 30.376 3.759 89 HD23 LEU 8 HD23 LEU 8 13.213 29.588 3.089 90 H THR 9 H THR 9 11.753 34.158 6.263 91 HA THR 9 HA THR 9 11.027 36.042 4.072 92 HB THR 9 HB THR 9 10.408 36.678 6.975 93 HG1 THR 9 HG1 THR 9 9.022 35.067 6.294 94 HG21 THR 9 HG21 THR 9 9.030 38.467 5.985 95 HG22 THR 9 HG22 THR 9 10.722 38.653 5.497 96 HG23 THR 9 HG23 THR 9 9.532 37.982 4.350 97 H LYS 10 H LYS 10 12.491 37.512 3.615 98 HA LYS 10 HA LYS 10 15.131 37.461 4.820 99 HB2 LYS 10 HB2 LYS 10 13.828 39.222 2.699 100 HB3 LYS 10 HB3 LYS 10 15.529 39.331 3.150 101 HG2 LYS 10 HG2 LYS 10 15.933 37.031 2.495 102 HG3 LYS 10 HG3 LYS 10 14.224 36.806 2.039 103 HD2 LYS 10 HD2 LYS 10 16.000 38.935 0.785 104 HD3 LYS 10 HD3 LYS 10 15.852 37.280 0.141 105 HE2 LYS 10 HE2 LYS 10 13.383 37.622 -0.075 106 HE3 LYS 10 HE3 LYS 10 13.580 39.274 0.515 107 HZ1 LYS 10 HZ1 LYS 10 13.525 39.186 -1.925 108 HZ2 LYS 10 HZ2 LYS 10 14.973 39.744 -1.426 109 HZ3 LYS 10 HZ3 LYS 10 14.835 38.213 -1.961 110 H ALA 11 H ALA 11 16.307 39.299 5.541 111 HA ALA 11 HA ALA 11 15.095 40.844 7.642 112 HB1 ALA 11 HB1 ALA 11 17.322 41.922 7.723 113 HB2 ALA 11 HB2 ALA 11 17.480 40.154 7.566 114 HB3 ALA 11 HB3 ALA 11 17.746 41.209 6.147 115 H ASP 12 H ASP 12 15.620 41.511 4.203 116 HA ASP 12 HA ASP 12 14.925 44.318 4.231 117 HB2 ASP 12 HB2 ASP 12 14.947 42.200 2.048 118 HB3 ASP 12 HB3 ASP 12 14.733 43.921 1.778 119 H GLY 13 H GLY 13 12.997 41.618 4.857 120 HA2 GLY 13 HA2 GLY 13 10.721 41.606 5.352 121 HA3 GLY 13 HA3 GLY 13 10.490 43.110 4.471 122 H GLY 14 H GLY 14 12.252 40.880 2.555 123 HA2 GLY 14 HA2 GLY 14 9.893 40.422 0.820 124 HA3 GLY 14 HA3 GLY 14 11.576 40.100 0.438 125 H ARG 15 H ARG 15 8.694 38.589 0.960 126 HA ARG 15 HA ARG 15 9.619 36.232 2.450 127 HB2 ARG 15 HB2 ARG 15 7.211 37.196 2.303 128 HB3 ARG 15 HB3 ARG 15 7.123 36.357 0.744 129 HG2 ARG 15 HG2 ARG 15 7.734 34.201 1.968 130 HG3 ARG 15 HG3 ARG 15 7.721 35.120 3.482 131 HD2 ARG 15 HD2 ARG 15 5.620 34.067 3.355 132 HD3 ARG 15 HD3 ARG 15 5.332 35.769 2.961 133 HE ARG 15 HE ARG 15 5.811 33.900 0.683 134 HH11 ARG 15 HH11 ARG 15 3.266 35.537 2.485 135 HH12 ARG 15 HH12 ARG 15 2.125 35.300 1.183 136 HH21 ARG 15 HH21 ARG 15 4.431 33.654 -0.808 137 HH22 ARG 15 HH22 ARG 15 2.768 34.249 -0.695 138 H VAL 16 H VAL 16 10.042 34.215 1.685 139 HA VAL 16 HA VAL 16 10.331 33.732 -1.241 140 HB VAL 16 HB VAL 16 12.464 33.137 0.842 141 HG11 VAL 16 HG11 VAL 16 13.819 32.336 -1.077 142 HG12 VAL 16 HG12 VAL 16 12.397 31.328 -0.808 143 HG13 VAL 16 HG13 VAL 16 12.405 32.517 -2.133 144 HG21 VAL 16 HG21 VAL 16 12.540 35.500 0.187 145 HG22 VAL 16 HG22 VAL 16 13.907 34.629 -0.523 146 HG23 VAL 16 HG23 VAL 16 12.501 35.051 -1.531 147 H GLU 17 H GLU 17 9.604 31.745 -1.843 148 HA GLU 17 HA GLU 17 9.353 29.616 0.171 149 HB2 GLU 17 HB2 GLU 17 7.057 29.094 -0.367 150 HB3 GLU 17 HB3 GLU 17 7.192 30.689 0.353 151 HG2 GLU 17 HG2 GLU 17 6.933 30.213 -2.645 152 HG3 GLU 17 HG3 GLU 17 5.561 30.413 -1.545 153 H ILE 18 H ILE 18 9.083 27.528 -0.603 154 HA ILE 18 HA ILE 18 9.751 27.014 -3.469 155 HB ILE 18 HB ILE 18 11.066 25.739 -1.053 156 HG12 ILE 18 HG12 ILE 18 12.519 27.324 -3.209 157 HG13 ILE 18 HG13 ILE 18 11.914 28.097 -1.753 158 HG21 ILE 18 HG21 ILE 18 11.556 25.219 -4.031 159 HG22 ILE 18 HG22 ILE 18 12.429 24.458 -2.693 160 HG23 ILE 18 HG23 ILE 18 10.727 24.116 -2.920 161 HD11 ILE 18 HD11 ILE 18 13.254 26.690 -0.305 162 HD12 ILE 18 HD12 ILE 18 13.881 25.780 -1.701 163 HD13 ILE 18 HD13 ILE 18 14.266 27.500 -1.521 164 H GLY 19 H GLY 19 8.324 25.606 -4.321 165 HA2 GLY 19 HA2 GLY 19 6.514 23.989 -2.594 166 HA3 GLY 19 HA3 GLY 19 6.351 24.280 -4.323 167 H ASP 20 H ASP 20 5.990 21.785 -3.406 168 HA ASP 20 HA ASP 20 6.501 19.633 -3.809 169 HB2 ASP 20 HB2 ASP 20 8.228 20.696 -6.047 170 HB3 ASP 20 HB3 ASP 20 7.447 19.121 -5.950 171 H VAL 21 H VAL 21 8.112 20.741 -1.780 172 HA VAL 21 HA VAL 21 10.864 19.818 -1.955 173 HB VAL 21 HB VAL 21 9.219 20.827 0.384 174 HG11 VAL 21 HG11 VAL 21 11.023 19.455 1.263 175 HG12 VAL 21 HG12 VAL 21 12.202 20.274 0.209 176 HG13 VAL 21 HG13 VAL 21 11.369 21.151 1.514 177 HG21 VAL 21 HG21 VAL 21 9.629 22.516 -1.380 178 HG22 VAL 21 HG22 VAL 21 10.625 22.862 0.026 179 HG23 VAL 21 HG23 VAL 21 11.361 22.094 -1.389 180 H LEU 22 H LEU 22 11.748 17.927 -1.431 181 HA LEU 22 HA LEU 22 10.083 15.804 -0.140 182 HB2 LEU 22 HB2 LEU 22 12.690 15.612 -1.694 183 HB3 LEU 22 HB3 LEU 22 11.839 14.268 -0.949 184 HG LEU 22 HG LEU 22 10.887 15.941 -3.298 185 HD11 LEU 22 HD11 LEU 22 11.564 12.983 -2.996 186 HD12 LEU 22 HD12 LEU 22 10.972 13.762 -4.467 187 HD13 LEU 22 HD13 LEU 22 12.566 14.214 -3.810 188 HD21 LEU 22 HD21 LEU 22 9.392 13.722 -1.832 189 HD22 LEU 22 HD22 LEU 22 8.904 15.426 -1.961 190 HD23 LEU 22 HD23 LEU 22 8.940 14.425 -3.404 191 H GLU 23 H GLU 23 12.869 17.846 0.470 192 HA GLU 23 HA GLU 23 12.992 16.734 3.195 193 HB2 GLU 23 HB2 GLU 23 15.416 16.304 3.126 194 HB3 GLU 23 HB3 GLU 23 14.515 15.239 2.045 195 HG2 GLU 23 HG2 GLU 23 15.185 16.576 0.101 196 HG3 GLU 23 HG3 GLU 23 16.013 17.745 1.145 197 H VAL 24 H VAL 24 13.836 18.021 4.723 198 HA VAL 24 HA VAL 24 15.186 20.554 4.021 199 HB VAL 24 HB VAL 24 12.983 20.440 6.097 200 HG11 VAL 24 HG11 VAL 24 14.732 22.071 6.643 201 HG12 VAL 24 HG12 VAL 24 14.605 22.771 5.016 202 HG13 VAL 24 HG13 VAL 24 13.248 22.889 6.154 203 HG21 VAL 24 HG21 VAL 24 12.923 21.674 3.328 204 HG22 VAL 24 HG22 VAL 24 11.908 20.338 3.925 205 HG23 VAL 24 HG23 VAL 24 11.723 21.952 4.614 206 H ARG 25 H ARG 25 16.979 20.830 5.253 207 HA ARG 25 HA ARG 25 17.309 19.276 7.795 208 HB2 ARG 25 HB2 ARG 25 19.163 19.199 5.373 209 HB3 ARG 25 HB3 ARG 25 19.601 18.620 6.989 210 HG2 ARG 25 HG2 ARG 25 17.734 16.991 6.922 211 HG3 ARG 25 HG3 ARG 25 17.301 17.519 5.295 212 HD2 ARG 25 HD2 ARG 25 20.037 16.405 6.009 213 HD3 ARG 25 HD3 ARG 25 18.695 15.408 5.463 214 HE ARG 25 HE ARG 25 18.719 16.456 3.297 215 HH11 ARG 25 HH11 ARG 25 21.513 17.505 5.155 216 HH12 ARG 25 HH12 ARG 25 22.340 18.024 3.711 217 HH21 ARG 25 HH21 ARG 25 19.717 17.068 1.652 218 HH22 ARG 25 HH22 ARG 25 21.352 17.745 1.690 219 H ALA 26 H ALA 26 18.215 20.349 9.367 220 HA ALA 26 HA ALA 26 19.348 23.036 8.941 221 HB1 ALA 26 HB1 ALA 26 18.980 21.393 11.483 222 HB2 ALA 26 HB2 ALA 26 19.433 23.105 11.378 223 HB3 ALA 26 HB3 ALA 26 17.832 22.578 10.837 224 H GLU 27 H GLU 27 21.411 23.630 9.390 225 HA GLU 27 HA GLU 27 23.586 21.590 9.639 226 HB2 GLU 27 HB2 GLU 27 23.370 23.970 7.739 227 HB3 GLU 27 HB3 GLU 27 24.852 23.070 7.984 228 HG2 GLU 27 HG2 GLU 27 22.301 21.776 6.936 229 HG3 GLU 27 HG3 GLU 27 23.501 22.570 5.925 230 H GLY 28 H GLY 28 25.755 23.072 9.863 231 HA2 GLY 28 HA2 GLY 28 25.628 24.406 12.404 232 HA3 GLY 28 HA3 GLY 28 27.023 24.324 11.323 233 H GLY 29 H GLY 29 23.914 25.969 11.775 234 HA2 GLY 29 HA2 GLY 29 23.550 28.284 11.914 235 HA3 GLY 29 HA3 GLY 29 25.100 28.621 11.141 236 H ALA 30 H ALA 30 22.787 26.341 9.726 237 HA ALA 30 HA ALA 30 21.585 28.277 7.889 238 HB1 ALA 30 HB1 ALA 30 23.538 26.173 6.822 239 HB2 ALA 30 HB2 ALA 30 22.539 27.272 5.841 240 HB3 ALA 30 HB3 ALA 30 23.839 27.920 6.862 241 H VAL 31 H VAL 31 20.142 27.239 6.312 242 HA VAL 31 HA VAL 31 19.327 24.417 6.954 243 HB VAL 31 HB VAL 31 17.449 26.732 6.359 244 HG11 VAL 31 HG11 VAL 31 16.596 24.849 5.065 245 HG12 VAL 31 HG12 VAL 31 16.821 23.751 6.444 246 HG13 VAL 31 HG13 VAL 31 15.612 25.039 6.510 247 HG21 VAL 31 HG21 VAL 31 18.142 26.381 8.746 248 HG22 VAL 31 HG22 VAL 31 16.413 26.104 8.486 249 HG23 VAL 31 HG23 VAL 31 17.525 24.725 8.655 250 H ARG 32 H ARG 32 18.959 23.080 5.314 251 HA ARG 32 HA ARG 32 19.315 24.002 2.477 252 HB2 ARG 32 HB2 ARG 32 20.072 21.373 3.799 253 HB3 ARG 32 HB3 ARG 32 20.114 21.661 2.060 254 HG2 ARG 32 HG2 ARG 32 21.855 23.317 2.269 255 HG3 ARG 32 HG3 ARG 32 21.686 23.386 4.028 256 HD2 ARG 32 HD2 ARG 32 23.636 22.112 3.576 257 HD3 ARG 32 HD3 ARG 32 22.387 21.007 4.179 258 HE ARG 32 HE ARG 32 22.415 21.102 1.270 259 HH11 ARG 32 HH11 ARG 32 24.222 19.636 3.957 260 HH12 ARG 32 HH12 ARG 32 24.848 18.387 2.892 261 HH21 ARG 32 HH21 ARG 32 23.163 19.565 0.109 262 HH22 ARG 32 HH22 ARG 32 24.241 18.310 0.731 263 H VAL 33 H VAL 33 17.964 23.184 0.947 264 HA VAL 33 HA VAL 33 15.542 21.578 1.715 265 HB VAL 33 HB VAL 33 15.574 24.233 0.199 266 HG11 VAL 33 HG11 VAL 33 13.258 22.424 0.947 267 HG12 VAL 33 HG12 VAL 33 13.090 24.053 0.273 268 HG13 VAL 33 HG13 VAL 33 13.830 22.782 -0.697 269 HG21 VAL 33 HG21 VAL 33 14.344 23.626 2.915 270 HG22 VAL 33 HG22 VAL 33 15.805 24.609 2.639 271 HG23 VAL 33 HG23 VAL 33 14.249 25.161 2.018 272 H THR 34 H THR 34 14.932 20.110 0.079 273 HA THR 34 HA THR 34 15.942 20.611 -2.681 274 HB THR 34 HB THR 34 16.336 17.959 -1.278 275 HG1 THR 34 HG1 THR 34 17.870 19.529 -0.761 276 HG21 THR 34 HG21 THR 34 15.839 17.518 -3.619 277 HG22 THR 34 HG22 THR 34 16.957 18.806 -4.134 278 HG23 THR 34 HG23 THR 34 17.576 17.341 -3.345 279 H THR 35 H THR 35 14.591 20.190 -4.282 280 HA THR 35 HA THR 35 11.829 19.379 -3.657 281 HB THR 35 HB THR 35 11.266 20.216 -5.826 282 HG1 THR 35 HG1 THR 35 13.023 21.095 -7.118 283 HG21 THR 35 HG21 THR 35 11.695 21.928 -4.056 284 HG22 THR 35 HG22 THR 35 13.337 22.145 -4.701 285 HG23 THR 35 HG23 THR 35 11.931 22.517 -5.700 286 H LEU 36 H LEU 36 10.601 18.020 -5.244 287 HA LEU 36 HA LEU 36 11.867 15.497 -5.762 288 HB2 LEU 36 HB2 LEU 36 9.772 14.810 -6.712 289 HB3 LEU 36 HB3 LEU 36 9.512 15.755 -5.269 290 HG LEU 36 HG LEU 36 9.060 17.763 -6.887 291 HD11 LEU 36 HD11 LEU 36 7.980 17.034 -9.025 292 HD12 LEU 36 HD12 LEU 36 9.716 16.788 -9.040 293 HD13 LEU 36 HD13 LEU 36 8.641 15.397 -8.777 294 HD21 LEU 36 HD21 LEU 36 6.682 17.045 -7.050 295 HD22 LEU 36 HD22 LEU 36 7.162 15.374 -6.682 296 HD23 LEU 36 HD23 LEU 36 7.378 16.667 -5.475 297 H PHE 37 H PHE 37 12.108 18.356 -7.565 298 HA PHE 37 HA PHE 37 12.844 17.026 -10.093 299 HB2 PHE 37 HB2 PHE 37 13.153 19.925 -9.275 300 HB3 PHE 37 HB3 PHE 37 13.281 19.267 -10.896 301 HD1 PHE 37 HD1 PHE 37 11.065 20.694 -8.438 302 HD2 PHE 37 HD2 PHE 37 11.165 18.152 -11.931 303 HE1 PHE 37 HE1 PHE 37 8.626 21.040 -8.765 304 HE2 PHE 37 HE2 PHE 37 8.727 18.510 -12.249 305 HZ PHE 37 HZ PHE 37 7.459 19.941 -10.661 306 H ASP 38 H ASP 38 14.311 17.108 -7.180 307 HA ASP 38 HA ASP 38 16.331 16.943 -6.315 308 HB2 ASP 38 HB2 ASP 38 17.484 16.457 -9.069 309 HB3 ASP 38 HB3 ASP 38 18.209 16.053 -7.520 310 H GLU 39 H GLU 39 15.363 19.606 -7.413 311 HA GLU 39 HA GLU 39 17.856 21.150 -7.758 312 HB2 GLU 39 HB2 GLU 39 14.964 22.032 -7.480 313 HB3 GLU 39 HB3 GLU 39 16.329 23.113 -7.731 314 HG2 GLU 39 HG2 GLU 39 15.487 20.894 -9.660 315 HG3 GLU 39 HG3 GLU 39 15.057 22.590 -9.818 316 H GLU 40 H GLU 40 19.111 21.634 -6.091 317 HA GLU 40 HA GLU 40 18.056 21.675 -3.332 318 HB2 GLU 40 HB2 GLU 40 20.050 20.371 -3.786 319 HB3 GLU 40 HB3 GLU 40 20.883 21.797 -4.425 320 HG2 GLU 40 HG2 GLU 40 20.911 22.852 -2.245 321 HG3 GLU 40 HG3 GLU 40 19.814 21.629 -1.584 322 H HIS 41 H HIS 41 18.061 23.383 -2.007 323 HA HIS 41 HA HIS 41 19.061 26.060 -2.869 324 HB2 HIS 41 HB2 HIS 41 16.437 25.602 -1.421 325 HB3 HIS 41 HB3 HIS 41 17.073 27.115 -2.042 326 HD2 HIS 41 HD2 HIS 41 15.298 23.877 -3.157 327 HE1 HIS 41 HE1 HIS 41 15.245 26.480 -6.536 328 HE2 HIS 41 HE2 HIS 41 14.386 24.272 -5.597 329 H ALA 42 H ALA 42 19.836 27.338 -1.111 330 HA ALA 42 HA ALA 42 19.791 26.157 1.603 331 HB1 ALA 42 HB1 ALA 42 22.354 26.828 0.098 332 HB2 ALA 42 HB2 ALA 42 22.232 26.320 1.803 333 HB3 ALA 42 HB3 ALA 42 21.771 25.206 0.505 334 H PHE 43 H PHE 43 19.966 27.534 3.258 335 HA PHE 43 HA PHE 43 20.041 30.472 2.698 336 HB2 PHE 43 HB2 PHE 43 17.933 28.977 4.263 337 HB3 PHE 43 HB3 PHE 43 18.044 30.719 4.069 338 HD1 PHE 43 HD1 PHE 43 17.015 27.557 2.529 339 HD2 PHE 43 HD2 PHE 43 17.663 31.760 1.804 340 HE1 PHE 43 HE1 PHE 43 15.771 27.384 0.401 341 HE2 PHE 43 HE2 PHE 43 16.401 31.582 -0.332 342 HZ PHE 43 HZ PHE 43 15.455 29.401 -1.037 343 HA PRO 44 HA PRO 44 22.605 29.940 6.445 344 HB2 PRO 44 HB2 PRO 44 23.962 32.299 6.370 345 HB3 PRO 44 HB3 PRO 44 24.331 30.932 5.272 346 HG2 PRO 44 HG2 PRO 44 22.608 33.360 4.697 347 HG3 PRO 44 HG3 PRO 44 23.937 32.675 3.693 348 HD2 PRO 44 HD2 PRO 44 21.305 32.115 3.240 349 HD3 PRO 44 HD3 PRO 44 22.584 30.889 2.976 350 H GLY 45 H GLY 45 22.432 30.659 8.525 351 HA2 GLY 45 HA2 GLY 45 21.854 31.954 10.343 352 HA3 GLY 45 HA3 GLY 45 21.179 33.190 9.288 353 H LEU 46 H LEU 46 19.893 30.056 8.718 354 HA LEU 46 HA LEU 46 17.447 30.668 10.324 355 HB2 LEU 46 HB2 LEU 46 17.680 29.080 7.753 356 HB3 LEU 46 HB3 LEU 46 16.209 29.359 8.663 357 HG LEU 46 HG LEU 46 17.848 31.466 7.194 358 HD11 LEU 46 HD11 LEU 46 15.907 31.604 5.750 359 HD12 LEU 46 HD12 LEU 46 16.412 29.909 5.839 360 HD13 LEU 46 HD13 LEU 46 15.005 30.461 6.765 361 HD21 LEU 46 HD21 LEU 46 16.854 32.543 9.177 362 HD22 LEU 46 HD22 LEU 46 15.961 33.009 7.742 363 HD23 LEU 46 HD23 LEU 46 15.286 31.772 8.831 364 H ALA 47 H ALA 47 16.213 28.903 11.073 365 HA ALA 47 HA ALA 47 17.369 26.183 11.162 366 HB1 ALA 47 HB1 ALA 47 16.282 27.674 13.593 367 HB2 ALA 47 HB2 ALA 47 16.765 25.968 13.550 368 HB3 ALA 47 HB3 ALA 47 17.988 27.234 13.325 369 H ILE 48 H ILE 48 15.662 24.558 11.643 370 HA ILE 48 HA ILE 48 13.163 25.194 10.263 371 HB ILE 48 HB ILE 48 13.954 22.653 11.715 372 HG12 ILE 48 HG12 ILE 48 14.069 23.225 8.721 373 HG13 ILE 48 HG13 ILE 48 15.478 23.252 9.784 374 HG21 ILE 48 HG21 ILE 48 12.088 21.651 10.351 375 HG22 ILE 48 HG22 ILE 48 11.506 22.874 11.461 376 HG23 ILE 48 HG23 ILE 48 11.700 23.266 9.740 377 HD11 ILE 48 HD11 ILE 48 15.481 21.125 8.726 378 HD12 ILE 48 HD12 ILE 48 14.996 20.860 10.419 379 HD13 ILE 48 HD13 ILE 48 13.772 20.831 9.113 380 H GLY 49 H GLY 49 11.523 26.231 11.236 381 HA2 GLY 49 HA2 GLY 49 11.389 26.446 14.179 382 HA3 GLY 49 HA3 GLY 49 10.467 27.368 12.988 383 H ARG 50 H ARG 50 9.090 25.653 11.520 384 HA ARG 50 HA ARG 50 7.624 23.764 13.308 385 HB2 ARG 50 HB2 ARG 50 6.310 26.146 11.906 386 HB3 ARG 50 HB3 ARG 50 5.463 24.826 12.723 387 HG2 ARG 50 HG2 ARG 50 6.629 25.441 14.853 388 HG3 ARG 50 HG3 ARG 50 7.320 26.848 14.042 389 HD2 ARG 50 HD2 ARG 50 5.157 27.812 13.669 390 HD3 ARG 50 HD3 ARG 50 4.336 26.351 14.289 391 HE ARG 50 HE ARG 50 6.024 27.187 16.360 392 HH11 ARG 50 HH11 ARG 50 3.344 28.722 14.689 393 HH12 ARG 50 HH12 ARG 50 2.867 29.599 16.118 394 HH21 ARG 50 HH21 ARG 50 5.376 28.263 18.091 395 HH22 ARG 50 HH22 ARG 50 4.007 29.373 18.008 396 H VAL 51 H VAL 51 6.401 22.241 12.316 397 HA VAL 51 HA VAL 51 6.565 21.926 9.345 398 HB VAL 51 HB VAL 51 7.471 19.926 11.420 399 HG11 VAL 51 HG11 VAL 51 7.949 18.374 9.590 400 HG12 VAL 51 HG12 VAL 51 6.230 18.710 9.685 401 HG13 VAL 51 HG13 VAL 51 7.206 19.486 8.421 402 HG21 VAL 51 HG21 VAL 51 9.234 21.540 10.891 403 HG22 VAL 51 HG22 VAL 51 9.620 19.930 10.260 404 HG23 VAL 51 HG23 VAL 51 9.034 21.189 9.157 405 H ASP 52 H ASP 52 4.578 21.422 8.576 406 HA ASP 52 HA ASP 52 2.624 19.985 10.339 407 HB2 ASP 52 HB2 ASP 52 2.334 22.416 10.454 408 HB3 ASP 52 HB3 ASP 52 2.192 22.511 8.699 409 H LEU 53 H LEU 53 2.408 18.073 9.358 410 HA LEU 53 HA LEU 53 2.677 17.691 6.479 411 HB2 LEU 53 HB2 LEU 53 1.821 15.723 8.646 412 HB3 LEU 53 HB3 LEU 53 2.291 15.357 7.008 413 HG LEU 53 HG LEU 53 4.069 14.671 8.243 414 HD11 LEU 53 HD11 LEU 53 4.959 17.446 7.370 415 HD12 LEU 53 HD12 LEU 53 5.975 16.014 7.604 416 HD13 LEU 53 HD13 LEU 53 4.773 16.033 6.301 417 HD21 LEU 53 HD21 LEU 53 5.216 15.791 9.991 418 HD22 LEU 53 HD22 LEU 53 4.262 17.268 9.799 419 HD23 LEU 53 HD23 LEU 53 3.499 15.773 10.375 420 H ARG 54 H ARG 54 0.041 18.024 8.791 421 HA ARG 54 HA ARG 54 -2.114 17.047 7.089 422 HB2 ARG 54 HB2 ARG 54 -2.463 17.052 9.426 423 HB3 ARG 54 HB3 ARG 54 -1.962 18.731 9.619 424 HG2 ARG 54 HG2 ARG 54 -3.983 19.559 8.638 425 HG3 ARG 54 HG3 ARG 54 -4.417 17.958 8.004 426 HD2 ARG 54 HD2 ARG 54 -5.791 18.592 9.932 427 HD3 ARG 54 HD3 ARG 54 -4.882 17.100 10.190 428 HE ARG 54 HE ARG 54 -3.366 19.273 11.265 429 HH11 ARG 54 HH11 ARG 54 -6.342 17.555 12.033 430 HH12 ARG 54 HH12 ARG 54 -6.122 17.783 13.748 431 HH21 ARG 54 HH21 ARG 54 -3.142 19.493 13.455 432 HH22 ARG 54 HH22 ARG 54 -4.417 18.916 14.515 433 H SER 55 H SER 55 -0.766 20.289 7.699 434 HA SER 55 HA SER 55 -2.377 21.549 5.594 435 HB2 SER 55 HB2 SER 55 -1.597 22.735 7.616 436 HB3 SER 55 HB3 SER 55 0.084 22.546 7.071 437 HG SER 55 HG SER 55 -0.898 24.594 6.526 438 H GLY 56 H GLY 56 0.897 20.168 5.792 439 HA2 GLY 56 HA2 GLY 56 2.276 19.427 4.068 440 HA3 GLY 56 HA3 GLY 56 1.245 20.204 2.867 441 H VAL 57 H VAL 57 2.653 21.787 5.756 442 HA VAL 57 HA VAL 57 4.346 23.511 4.005 443 HB VAL 57 HB VAL 57 2.401 24.644 6.035 444 HG11 VAL 57 HG11 VAL 57 3.025 26.821 4.979 445 HG12 VAL 57 HG12 VAL 57 4.375 26.067 5.816 446 HG13 VAL 57 HG13 VAL 57 4.281 25.991 4.036 447 HG21 VAL 57 HG21 VAL 57 2.247 24.708 2.996 448 HG22 VAL 57 HG22 VAL 57 1.131 23.874 4.092 449 HG23 VAL 57 HG23 VAL 57 1.217 25.629 4.115 450 H ILE 58 H ILE 58 6.163 24.275 4.855 451 HA ILE 58 HA ILE 58 6.930 23.681 7.696 452 HB ILE 58 HB ILE 58 8.525 23.432 5.122 453 HG12 ILE 58 HG12 ILE 58 7.920 21.282 7.197 454 HG13 ILE 58 HG13 ILE 58 6.924 21.528 5.772 455 HG21 ILE 58 HG21 ILE 58 9.449 23.212 8.028 456 HG22 ILE 58 HG22 ILE 58 10.407 22.677 6.633 457 HG23 ILE 58 HG23 ILE 58 10.006 24.375 6.806 458 HD11 ILE 58 HD11 ILE 58 9.864 20.760 5.710 459 HD12 ILE 58 HD12 ILE 58 8.470 19.728 5.366 460 HD13 ILE 58 HD13 ILE 58 8.838 21.087 4.286 461 H SER 59 H SER 59 7.737 25.366 8.803 462 HA SER 59 HA SER 59 8.262 27.951 7.361 463 HB2 SER 59 HB2 SER 59 7.108 27.537 10.128 464 HB3 SER 59 HB3 SER 59 7.465 29.098 9.357 465 HG SER 59 HG SER 59 5.256 28.498 9.148 466 H LEU 60 H LEU 60 10.238 28.700 7.506 467 HA LEU 60 HA LEU 60 12.138 27.665 9.547 468 HB2 LEU 60 HB2 LEU 60 12.696 29.464 7.184 469 HB3 LEU 60 HB3 LEU 60 13.863 28.641 8.210 470 HG LEU 60 HG LEU 60 11.935 27.338 6.235 471 HD11 LEU 60 HD11 LEU 60 14.020 26.690 5.073 472 HD12 LEU 60 HD12 LEU 60 13.902 28.449 5.234 473 HD13 LEU 60 HD13 LEU 60 14.973 27.536 6.308 474 HD21 LEU 60 HD21 LEU 60 13.121 25.217 6.759 475 HD22 LEU 60 HD22 LEU 60 13.947 26.035 8.110 476 HD23 LEU 60 HD23 LEU 60 12.177 25.812 8.123 477 H ILE 61 H ILE 61 13.428 29.041 10.809 478 HA ILE 61 HA ILE 61 12.447 31.812 11.288 479 HB ILE 61 HB ILE 61 12.444 31.481 13.683 480 HG12 ILE 61 HG12 ILE 61 12.269 28.782 14.239 481 HG13 ILE 61 HG13 ILE 61 13.577 28.810 13.047 482 HG21 ILE 61 HG21 ILE 61 10.617 29.486 12.305 483 HG22 ILE 61 HG22 ILE 61 10.374 30.237 13.903 484 HG23 ILE 61 HG23 ILE 61 10.356 31.238 12.443 485 HD11 ILE 61 HD11 ILE 61 14.417 28.959 15.344 486 HD12 ILE 61 HD12 ILE 61 14.808 30.430 14.444 487 HD13 ILE 61 HD13 ILE 61 13.479 30.446 15.618 488 H GLU 62 H GLU 62 13.908 33.120 12.598 489 HA GLU 62 HA GLU 62 16.609 32.938 11.544 490 HB2 GLU 62 HB2 GLU 62 15.399 34.821 13.601 491 HB3 GLU 62 HB3 GLU 62 17.016 34.977 12.888 492 HG2 GLU 62 HG2 GLU 62 16.046 35.249 10.647 493 HG3 GLU 62 HG3 GLU 62 14.418 35.001 11.288 494 H GLU 63 H GLU 63 18.217 31.780 12.330 495 HA GLU 63 HA GLU 63 18.200 30.544 14.960 496 HB2 GLU 63 HB2 GLU 63 19.130 29.348 13.137 497 HB3 GLU 63 HB3 GLU 63 20.234 30.662 12.717 498 HG2 GLU 63 HG2 GLU 63 20.418 29.415 15.470 499 HG3 GLU 63 HG3 GLU 63 20.995 28.496 14.074 500 H GLN 64 H GLN 64 19.071 31.219 16.788 501 HA GLN 64 HA GLN 64 20.669 33.746 16.913 502 HB2 GLN 64 HB2 GLN 64 18.221 32.947 18.518 503 HB3 GLN 64 HB3 GLN 64 19.235 34.336 18.905 504 HG2 GLN 64 HG2 GLN 64 18.552 35.576 17.037 505 HG3 GLN 64 HG3 GLN 64 18.015 34.161 16.145 506 HE21 GLN 64 HE21 GLN 64 15.872 33.541 16.246 507 HE22 GLN 64 HE22 GLN 64 14.712 34.279 17.362 508 H ASN 65 H ASN 65 21.490 30.834 17.186 509 HA ASN 65 HA ASN 65 22.237 30.443 19.996 510 HB2 ASN 65 HB2 ASN 65 22.757 28.950 17.375 511 HB3 ASN 65 HB3 ASN 65 23.301 28.431 18.945 512 HD21 ASN 65 HD21 ASN 65 22.004 26.512 17.981 513 HD22 ASN 65 HD22 ASN 65 20.332 26.434 18.556 514 H ARG 66 H ARG 66 23.632 31.559 16.951 515 HA ARG 66 HA ARG 66 26.395 31.605 17.649 516 HB2 ARG 66 HB2 ARG 66 26.664 33.036 15.720 517 HB3 ARG 66 HB3 ARG 66 25.551 31.722 15.358 518 HG2 ARG 66 HG2 ARG 66 23.621 33.327 15.679 519 HG3 ARG 66 HG3 ARG 66 24.796 34.619 15.975 520 HD2 ARG 66 HD2 ARG 66 24.072 34.780 13.688 521 HD3 ARG 66 HD3 ARG 66 25.775 34.252 13.728 522 HE ARG 66 HE ARG 66 23.819 32.059 13.576 523 HH11 ARG 66 HH11 ARG 66 25.719 34.220 11.523 524 HH12 ARG 66 HH12 ARG 66 25.607 33.113 10.185 525 HH21 ARG 66 HH21 ARG 66 23.742 30.821 11.958 526 HH22 ARG 66 HH22 ARG 66 24.517 31.169 10.402 527 H1 GLY -3 H1 GLY -3 -7.774 11.122 3.844 528 H2 GLY -3 H2 GLY -3 -8.752 9.809 3.940 529 H3 GLY -3 H3 GLY -3 -8.188 10.307 2.481 530 HA2 GLY -3 HA2 GLY -3 -6.556 9.209 4.679 531 HA3 GLY -3 HA3 GLY -3 -6.976 8.362 3.181 532 HA PRO -2 HA PRO -2 -2.752 10.102 2.697 533 HB2 PRO -2 HB2 PRO -2 -2.748 7.952 0.574 534 HB3 PRO -2 HB3 PRO -2 -1.442 8.416 1.712 535 HG2 PRO -2 HG2 PRO -2 -2.940 6.239 2.244 536 HG3 PRO -2 HG3 PRO -2 -2.603 7.420 3.555 537 HD2 PRO -2 HD2 PRO -2 -5.097 7.185 1.842 538 HD3 PRO -2 HD3 PRO -2 -4.957 7.349 3.620 539 H GLY -1 H GLY -1 -5.202 9.722 0.194 540 HA2 GLY -1 HA2 GLY -1 -3.962 11.400 -1.833 541 HA3 GLY -1 HA3 GLY -1 -5.654 10.904 -1.737 542 H SER 0 H SER 0 -5.403 12.200 1.179 543 HA SER 0 HA SER 0 -6.028 15.009 0.323 544 HB2 SER 0 HB2 SER 0 -7.341 13.420 2.538 545 HB3 SER 0 HB3 SER 0 -7.807 15.016 1.958 546 HG SER 0 HG SER 0 -8.430 14.094 -0.016 547 H MET 1 H MET 1 -4.098 13.127 2.489 548 HA MET 1 HA MET 1 -3.014 15.542 3.774 549 HB2 MET 1 HB2 MET 1 -3.315 14.635 6.052 550 HB3 MET 1 HB3 MET 1 -4.856 15.019 5.301 551 HG2 MET 1 HG2 MET 1 -5.428 12.767 4.975 552 HG3 MET 1 HG3 MET 1 -3.775 12.190 5.159 553 HE1 MET 1 HE1 MET 1 -2.633 13.325 7.832 554 HE2 MET 1 HE2 MET 1 -3.136 12.010 8.915 555 HE3 MET 1 HE3 MET 1 -2.586 11.641 7.260 556 H CYS 2 H CYS 2 -1.092 15.117 5.043 557 HA CYS 2 HA CYS 2 0.238 12.473 4.594 558 HB2 CYS 2 HB2 CYS 2 1.306 14.336 3.301 559 HB3 CYS 2 HB3 CYS 2 1.551 15.212 4.810 560 H MET 3 H MET 3 1.586 11.765 6.319 561 HA MET 3 HA MET 3 1.783 13.253 8.796 562 HB2 MET 3 HB2 MET 3 0.878 11.594 10.286 563 HB3 MET 3 HB3 MET 3 -0.374 12.090 9.151 564 HG2 MET 3 HG2 MET 3 0.091 10.017 7.808 565 HG3 MET 3 HG3 MET 3 1.211 9.500 9.090 566 HE1 MET 3 HE1 MET 3 -1.758 7.061 9.633 567 HE2 MET 3 HE2 MET 3 -1.130 7.663 8.081 568 HE3 MET 3 HE3 MET 3 -0.011 7.242 9.399 569 H ALA 4 H ALA 4 3.398 12.363 10.219 570 HA ALA 4 HA ALA 4 5.402 10.626 8.820 571 HB1 ALA 4 HB1 ALA 4 5.876 13.024 8.486 572 HB2 ALA 4 HB2 ALA 4 5.855 13.280 10.245 573 HB3 ALA 4 HB3 ALA 4 7.106 12.261 9.512 574 H LYS 5 H LYS 5 7.244 10.020 10.290 575 HA LYS 5 HA LYS 5 6.365 9.551 13.115 576 HB2 LYS 5 HB2 LYS 5 7.786 7.659 13.273 577 HB3 LYS 5 HB3 LYS 5 6.728 7.475 11.872 578 HG2 LYS 5 HG2 LYS 5 8.688 8.280 10.420 579 HG3 LYS 5 HG3 LYS 5 9.689 8.211 11.880 580 HD2 LYS 5 HD2 LYS 5 10.089 6.198 10.690 581 HD3 LYS 5 HD3 LYS 5 9.074 5.750 12.066 582 HE2 LYS 5 HE2 LYS 5 7.062 5.811 10.591 583 HE3 LYS 5 HE3 LYS 5 8.084 6.266 9.221 584 HZ1 LYS 5 HZ1 LYS 5 9.248 4.135 9.469 585 HZ2 LYS 5 HZ2 LYS 5 8.315 3.725 10.740 586 HZ3 LYS 5 HZ3 LYS 5 7.648 3.874 9.259 587 H VAL 6 H VAL 6 7.489 10.363 14.742 588 HA VAL 6 HA VAL 6 9.837 12.136 14.164 589 HB VAL 6 HB VAL 6 7.926 12.055 16.517 590 HG11 VAL 6 HG11 VAL 6 10.323 13.870 16.024 591 HG12 VAL 6 HG12 VAL 6 9.065 14.143 17.264 592 HG13 VAL 6 HG13 VAL 6 10.112 12.736 17.383 593 HG21 VAL 6 HG21 VAL 6 8.396 14.262 14.480 594 HG22 VAL 6 HG22 VAL 6 7.058 13.107 14.387 595 HG23 VAL 6 HG23 VAL 6 7.184 14.214 15.767 596 H VAL 7 H VAL 7 11.819 11.698 15.042 597 HA VAL 7 HA VAL 7 11.993 9.720 17.262 598 HB VAL 7 HB VAL 7 12.709 8.571 15.252 599 HG11 VAL 7 HG11 VAL 7 14.937 10.644 15.038 600 HG12 VAL 7 HG12 VAL 7 14.787 9.162 14.081 601 HG13 VAL 7 HG13 VAL 7 13.592 10.438 13.895 602 HG21 VAL 7 HG21 VAL 7 14.802 7.694 16.071 603 HG22 VAL 7 HG22 VAL 7 15.126 9.157 17.031 604 HG23 VAL 7 HG23 VAL 7 13.776 8.086 17.469 605 H LEU 8 H LEU 8 13.258 10.154 18.911 606 HA LEU 8 HA LEU 8 15.184 12.374 18.943 607 HB2 LEU 8 HB2 LEU 8 14.077 13.624 20.675 608 HB3 LEU 8 HB3 LEU 8 12.996 13.421 19.316 609 HG LEU 8 HG LEU 8 12.107 11.338 20.766 610 HD11 LEU 8 HD11 LEU 8 13.653 11.641 22.703 611 HD12 LEU 8 HD12 LEU 8 13.111 13.325 22.872 612 HD13 LEU 8 HD13 LEU 8 11.989 11.991 23.170 613 HD21 LEU 8 HD21 LEU 8 10.351 12.764 21.638 614 HD22 LEU 8 HD22 LEU 8 11.348 14.214 21.357 615 HD23 LEU 8 HD23 LEU 8 10.753 13.241 19.987 616 H THR 9 H THR 9 16.338 12.463 21.077 617 HA THR 9 HA THR 9 16.184 9.952 22.664 618 HB THR 9 HB THR 9 18.823 11.147 21.788 619 HG1 THR 9 HG1 THR 9 17.850 10.212 20.022 620 HG21 THR 9 HG21 THR 9 18.913 9.826 23.909 621 HG22 THR 9 HG22 THR 9 18.156 8.450 23.054 622 HG23 THR 9 HG23 THR 9 19.770 9.028 22.584 623 H LYS 10 H LYS 10 16.210 10.230 24.774 624 HA LYS 10 HA LYS 10 16.047 12.842 25.991 625 HB2 LYS 10 HB2 LYS 10 16.393 10.072 27.225 626 HB3 LYS 10 HB3 LYS 10 15.942 11.521 28.119 627 HG2 LYS 10 HG2 LYS 10 13.854 11.726 26.809 628 HG3 LYS 10 HG3 LYS 10 14.267 10.254 25.913 629 HD2 LYS 10 HD2 LYS 10 14.415 9.042 28.151 630 HD3 LYS 10 HD3 LYS 10 13.747 10.497 28.906 631 HE2 LYS 10 HE2 LYS 10 11.776 10.319 27.338 632 HE3 LYS 10 HE3 LYS 10 12.464 8.810 26.720 633 HZ1 LYS 10 HZ1 LYS 10 10.797 8.405 28.436 634 HZ2 LYS 10 HZ2 LYS 10 12.248 7.863 28.947 635 HZ3 LYS 10 HZ3 LYS 10 11.640 9.268 29.532 636 H ALA 11 H ALA 11 17.295 13.557 27.811 637 HA ALA 11 HA ALA 11 20.169 13.574 27.551 638 HB1 ALA 11 HB1 ALA 11 18.864 15.415 28.559 639 HB2 ALA 11 HB2 ALA 11 18.354 14.331 29.888 640 HB3 ALA 11 HB3 ALA 11 20.063 14.776 29.695 641 H ASP 12 H ASP 12 17.911 11.512 29.301 642 HA ASP 12 HA ASP 12 19.809 10.060 30.906 643 HB2 ASP 12 HB2 ASP 12 17.018 9.381 29.890 644 HB3 ASP 12 HB3 ASP 12 17.891 8.510 31.140 645 H GLY 13 H GLY 13 19.431 10.079 27.537 646 HA2 GLY 13 HA2 GLY 13 20.554 8.849 25.961 647 HA3 GLY 13 HA3 GLY 13 20.985 7.617 27.140 648 H GLY 14 H GLY 14 17.633 8.306 27.230 649 HA2 GLY 14 HA2 GLY 14 16.952 5.685 26.039 650 HA3 GLY 14 HA3 GLY 14 15.885 6.795 26.894 651 H ARG 15 H ARG 15 16.400 5.486 23.888 652 HA ARG 15 HA ARG 15 15.697 7.849 22.279 653 HB2 ARG 15 HB2 ARG 15 17.141 5.928 21.463 654 HB3 ARG 15 HB3 ARG 15 15.661 4.967 21.347 655 HG2 ARG 15 HG2 ARG 15 14.716 6.702 19.772 656 HG3 ARG 15 HG3 ARG 15 16.193 7.648 19.970 657 HD2 ARG 15 HD2 ARG 15 16.458 6.525 17.924 658 HD3 ARG 15 HD3 ARG 15 17.482 5.647 19.057 659 HE ARG 15 HE ARG 15 14.803 4.768 17.978 660 HH11 ARG 15 HH11 ARG 15 17.779 3.706 19.553 661 HH12 ARG 15 HH12 ARG 15 17.323 2.033 19.362 662 HH21 ARG 15 HH21 ARG 15 14.326 2.792 17.811 663 HH22 ARG 15 HH22 ARG 15 15.396 1.497 18.370 664 H VAL 16 H VAL 16 13.778 8.368 21.419 665 HA VAL 16 HA VAL 16 11.329 6.798 22.128 666 HB VAL 16 HB VAL 16 11.725 9.781 22.413 667 HG11 VAL 16 HG11 VAL 16 9.384 9.855 23.228 668 HG12 VAL 16 HG12 VAL 16 9.473 9.391 21.531 669 HG13 VAL 16 HG13 VAL 16 9.182 8.147 22.776 670 HG21 VAL 16 HG21 VAL 16 11.092 7.644 24.477 671 HG22 VAL 16 HG22 VAL 16 12.605 8.575 24.344 672 HG23 VAL 16 HG23 VAL 16 11.107 9.402 24.777 673 H GLU 17 H GLU 17 9.885 6.557 20.559 674 HA GLU 17 HA GLU 17 10.152 8.100 18.021 675 HB2 GLU 17 HB2 GLU 17 9.821 5.101 18.311 676 HB3 GLU 17 HB3 GLU 17 9.566 6.001 16.813 677 HG2 GLU 17 HG2 GLU 17 11.879 6.700 16.726 678 HG3 GLU 17 HG3 GLU 17 12.199 6.078 18.346 679 H ILE 18 H ILE 18 8.277 8.826 17.197 680 HA ILE 18 HA ILE 18 5.677 7.961 18.443 681 HB ILE 18 HB ILE 18 6.425 10.810 17.725 682 HG12 ILE 18 HG12 ILE 18 6.204 9.632 20.527 683 HG13 ILE 18 HG13 ILE 18 7.722 10.003 19.707 684 HG21 ILE 18 HG21 ILE 18 3.976 10.199 17.565 685 HG22 ILE 18 HG22 ILE 18 4.020 9.721 19.267 686 HG23 ILE 18 HG23 ILE 18 4.311 11.408 18.798 687 HD11 ILE 18 HD11 ILE 18 7.071 12.396 19.530 688 HD12 ILE 18 HD12 ILE 18 5.626 12.022 20.526 689 HD13 ILE 18 HD13 ILE 18 7.250 11.794 21.181 690 H GLY 19 H GLY 19 4.382 7.140 16.958 691 HA2 GLY 19 HA2 GLY 19 4.811 7.613 14.062 692 HA3 GLY 19 HA3 GLY 19 3.750 6.413 14.790 693 H ASP 20 H ASP 20 2.938 7.885 12.653 694 HA ASP 20 HA ASP 20 1.255 9.096 11.803 695 HB2 ASP 20 HB2 ASP 20 -0.196 8.369 14.360 696 HB3 ASP 20 HB3 ASP 20 -0.909 8.746 12.798 697 H VAL 21 H VAL 21 3.118 10.819 13.026 698 HA VAL 21 HA VAL 21 1.748 12.903 14.543 699 HB VAL 21 HB VAL 21 4.509 12.731 13.315 700 HG11 VAL 21 HG11 VAL 21 5.057 14.733 14.642 701 HG12 VAL 21 HG12 VAL 21 3.900 15.098 13.374 702 HG13 VAL 21 HG13 VAL 21 3.341 14.930 15.063 703 HG21 VAL 21 HG21 VAL 21 4.139 11.242 15.242 704 HG22 VAL 21 HG22 VAL 21 5.181 12.575 15.725 705 HG23 VAL 21 HG23 VAL 21 3.466 12.581 16.179 706 H LEU 22 H LEU 22 0.617 14.542 13.793 707 HA LEU 22 HA LEU 22 0.411 15.083 10.877 708 HB2 LEU 22 HB2 LEU 22 -1.021 16.328 13.271 709 HB3 LEU 22 HB3 LEU 22 -1.377 16.636 11.576 710 HG LEU 22 HG LEU 22 -1.774 14.011 13.058 711 HD11 LEU 22 HD11 LEU 22 -3.430 15.790 13.553 712 HD12 LEU 22 HD12 LEU 22 -3.718 15.990 11.806 713 HD13 LEU 22 HD13 LEU 22 -4.179 14.500 12.607 714 HD21 LEU 22 HD21 LEU 22 -2.918 13.241 10.985 715 HD22 LEU 22 HD22 LEU 22 -2.329 14.688 10.135 716 HD23 LEU 22 HD23 LEU 22 -1.179 13.473 10.762 717 H GLU 23 H GLU 23 1.772 16.587 13.793 718 HA GLU 23 HA GLU 23 3.178 18.590 12.212 719 HB2 GLU 23 HB2 GLU 23 2.114 20.542 13.290 720 HB3 GLU 23 HB3 GLU 23 0.993 19.632 12.303 721 HG2 GLU 23 HG2 GLU 23 0.273 18.461 14.524 722 HG3 GLU 23 HG3 GLU 23 1.136 19.759 15.335 723 H VAL 24 H VAL 24 4.753 19.737 13.298 724 HA VAL 24 HA VAL 24 5.141 19.323 16.186 725 HB VAL 24 HB VAL 24 7.496 18.863 16.033 726 HG11 VAL 24 HG11 VAL 24 5.883 16.953 16.038 727 HG12 VAL 24 HG12 VAL 24 6.089 16.828 14.280 728 HG13 VAL 24 HG13 VAL 24 7.481 16.577 15.358 729 HG21 VAL 24 HG21 VAL 24 7.192 18.508 13.035 730 HG22 VAL 24 HG22 VAL 24 7.970 19.913 13.783 731 HG23 VAL 24 HG23 VAL 24 8.676 18.303 13.992 732 H ARG 25 H ARG 25 6.408 20.897 17.219 733 HA ARG 25 HA ARG 25 7.116 23.354 15.668 734 HB2 ARG 25 HB2 ARG 25 5.382 23.340 18.186 735 HB3 ARG 25 HB3 ARG 25 5.988 24.775 17.352 736 HG2 ARG 25 HG2 ARG 25 4.664 24.145 15.330 737 HG3 ARG 25 HG3 ARG 25 4.019 22.747 16.211 738 HD2 ARG 25 HD2 ARG 25 3.008 24.227 17.900 739 HD3 ARG 25 HD3 ARG 25 3.698 25.636 17.102 740 HE ARG 25 HE ARG 25 2.022 25.588 15.517 741 HH11 ARG 25 HH11 ARG 25 1.846 22.472 17.180 742 HH12 ARG 25 HH12 ARG 25 0.442 22.012 16.200 743 HH21 ARG 25 HH21 ARG 25 0.241 24.797 14.361 744 HH22 ARG 25 HH22 ARG 25 -0.348 23.190 14.772 745 H ALA 26 H ALA 26 9.028 24.121 16.200 746 HA ALA 26 HA ALA 26 10.280 23.383 18.801 747 HB1 ALA 26 HB1 ALA 26 11.555 22.845 16.771 748 HB2 ALA 26 HB2 ALA 26 11.497 24.551 16.272 749 HB3 ALA 26 HB3 ALA 26 12.373 24.087 17.746 750 H GLU 27 H GLU 27 10.720 24.856 20.295 751 HA GLU 27 HA GLU 27 10.162 27.770 19.853 752 HB2 GLU 27 HB2 GLU 27 9.370 26.039 22.236 753 HB3 GLU 27 HB3 GLU 27 9.098 27.766 22.081 754 HG2 GLU 27 HG2 GLU 27 7.800 25.566 20.395 755 HG3 GLU 27 HG3 GLU 27 7.047 26.514 21.663 756 H GLY 28 H GLY 28 10.942 28.945 22.033 757 HA2 GLY 28 HA2 GLY 28 13.781 28.893 21.973 758 HA3 GLY 28 HA3 GLY 28 12.767 29.853 23.043 759 H GLY 29 H GLY 29 12.817 26.326 23.059 760 HA2 GLY 29 HA2 GLY 29 14.683 25.632 24.939 761 HA3 GLY 29 HA3 GLY 29 13.352 26.214 25.940 762 H ALA 30 H ALA 30 11.885 24.773 23.237 763 HA ALA 30 HA ALA 30 12.107 21.991 24.073 764 HB1 ALA 30 HB1 ALA 30 9.736 21.798 24.779 765 HB2 ALA 30 HB2 ALA 30 10.597 22.932 25.833 766 HB3 ALA 30 HB3 ALA 30 9.513 23.543 24.559 767 H VAL 31 H VAL 31 10.745 20.550 22.835 768 HA VAL 31 HA VAL 31 9.502 21.674 20.352 769 HB VAL 31 HB VAL 31 10.849 18.983 20.679 770 HG11 VAL 31 HG11 VAL 31 8.817 18.514 19.421 771 HG12 VAL 31 HG12 VAL 31 9.051 19.967 18.407 772 HG13 VAL 31 HG13 VAL 31 10.151 18.602 18.276 773 HG21 VAL 31 HG21 VAL 31 12.222 20.999 20.056 774 HG22 VAL 31 HG22 VAL 31 12.219 19.731 18.824 775 HG23 VAL 31 HG23 VAL 31 11.211 21.194 18.616 776 H ARG 32 H ARG 32 7.467 21.165 19.883 777 HA ARG 32 HA ARG 32 5.903 19.329 21.675 778 HB2 ARG 32 HB2 ARG 32 5.019 21.857 20.225 779 HB3 ARG 32 HB3 ARG 32 3.921 20.731 21.024 780 HG2 ARG 32 HG2 ARG 32 4.899 21.171 23.209 781 HG3 ARG 32 HG3 ARG 32 6.210 22.115 22.495 782 HD2 ARG 32 HD2 ARG 32 4.686 23.642 23.443 783 HD3 ARG 32 HD3 ARG 32 4.600 23.799 21.678 784 HE ARG 32 HE ARG 32 2.553 21.963 22.542 785 HH11 ARG 32 HH11 ARG 32 3.163 25.429 22.772 786 HH12 ARG 32 HH12 ARG 32 1.462 25.770 22.938 787 HH21 ARG 32 HH21 ARG 32 0.539 22.447 22.723 788 HH22 ARG 32 HH22 ARG 32 -0.030 24.105 22.931 789 H VAL 33 H VAL 33 4.452 17.951 20.733 790 HA VAL 33 HA VAL 33 4.555 17.466 17.776 791 HB VAL 33 HB VAL 33 5.089 15.435 19.993 792 HG11 VAL 33 HG11 VAL 33 5.652 13.874 18.135 793 HG12 VAL 33 HG12 VAL 33 3.955 14.339 18.139 794 HG13 VAL 33 HG13 VAL 33 5.067 15.082 16.978 795 HG21 VAL 33 HG21 VAL 33 7.044 16.596 17.982 796 HG22 VAL 33 HG22 VAL 33 7.077 16.771 19.763 797 HG23 VAL 33 HG23 VAL 33 7.363 15.200 19.031 798 H THR 34 H THR 34 2.588 16.721 16.919 799 HA THR 34 HA THR 34 0.512 15.737 18.844 800 HB THR 34 HB THR 34 0.022 17.811 16.704 801 HG1 THR 34 HG1 THR 34 0.958 18.656 18.561 802 HG21 THR 34 HG21 THR 34 -2.255 17.943 17.759 803 HG22 THR 34 HG22 THR 34 -1.961 16.431 16.901 804 HG23 THR 34 HG23 THR 34 -1.864 16.475 18.681 805 H THR 35 H THR 35 -0.589 13.987 18.264 806 HA THR 35 HA THR 35 0.077 12.631 15.750 807 HB THR 35 HB THR 35 -0.908 10.693 16.673 808 HG1 THR 35 HG1 THR 35 -2.008 10.781 18.663 809 HG21 THR 35 HG21 THR 35 0.468 12.104 18.979 810 HG22 THR 35 HG22 THR 35 0.314 10.359 18.719 811 HG23 THR 35 HG23 THR 35 1.298 11.341 17.614 812 H LEU 36 H LEU 36 -1.554 11.340 14.615 813 HA LEU 36 HA LEU 36 -3.660 12.556 13.317 814 HB2 LEU 36 HB2 LEU 36 -2.567 10.511 12.630 815 HB3 LEU 36 HB3 LEU 36 -3.094 9.677 14.090 816 HG LEU 36 HG LEU 36 -5.442 9.742 13.315 817 HD11 LEU 36 HD11 LEU 36 -5.926 10.335 10.955 818 HD12 LEU 36 HD12 LEU 36 -5.380 11.748 11.861 819 HD13 LEU 36 HD13 LEU 36 -4.265 10.926 10.751 820 HD21 LEU 36 HD21 LEU 36 -5.202 8.077 11.566 821 HD22 LEU 36 HD22 LEU 36 -3.543 8.610 11.227 822 HD23 LEU 36 HD23 LEU 36 -3.930 7.831 12.772 823 H PHE 37 H PHE 37 -3.727 11.121 16.509 824 HA PHE 37 HA PHE 37 -6.683 11.373 16.694 825 HB2 PHE 37 HB2 PHE 37 -4.761 9.910 18.528 826 HB3 PHE 37 HB3 PHE 37 -6.523 9.851 18.571 827 HD1 PHE 37 HD1 PHE 37 -7.774 8.990 16.457 828 HD2 PHE 37 HD2 PHE 37 -3.550 8.404 17.106 829 HE1 PHE 37 HE1 PHE 37 -7.746 7.248 14.697 830 HE2 PHE 37 HE2 PHE 37 -3.527 6.664 15.333 831 HZ PHE 37 HZ PHE 37 -5.609 6.106 14.105 832 H ASP 38 H ASP 38 -4.508 13.559 16.963 833 HA ASP 38 HA ASP 38 -4.116 15.446 18.056 834 HB2 ASP 38 HB2 ASP 38 -6.869 15.165 19.300 835 HB3 ASP 38 HB3 ASP 38 -5.927 16.639 19.141 836 H GLU 39 H GLU 39 -3.326 12.892 19.433 837 HA GLU 39 HA GLU 39 -3.159 13.653 22.277 838 HB2 GLU 39 HB2 GLU 39 -1.614 11.546 20.721 839 HB3 GLU 39 HB3 GLU 39 -1.574 11.787 22.453 840 HG2 GLU 39 HG2 GLU 39 -3.989 10.909 20.811 841 HG3 GLU 39 HG3 GLU 39 -2.985 9.890 21.838 842 H GLU 40 H GLU 40 -1.730 15.056 23.092 843 HA GLU 40 HA GLU 40 0.464 16.060 21.347 844 HB2 GLU 40 HB2 GLU 40 -1.121 17.723 22.135 845 HB3 GLU 40 HB3 GLU 40 -0.794 17.271 23.825 846 HG2 GLU 40 HG2 GLU 40 1.492 18.070 23.665 847 HG3 GLU 40 HG3 GLU 40 1.363 18.256 21.916 848 H HIS 41 H HIS 41 2.546 16.029 21.868 849 HA HIS 41 HA HIS 41 3.470 15.013 24.517 850 HB2 HIS 41 HB2 HIS 41 4.801 14.322 21.885 851 HB3 HIS 41 HB3 HIS 41 5.196 13.706 23.477 852 HD2 HIS 41 HD2 HIS 41 2.848 13.199 20.510 853 HE1 HIS 41 HE1 HIS 41 1.858 10.131 23.301 854 HE2 HIS 41 HE2 HIS 41 1.484 10.996 20.935 855 H ALA 42 H ALA 42 5.465 15.948 25.221 856 HA ALA 42 HA ALA 42 6.627 18.117 23.598 857 HB1 ALA 42 HB1 ALA 42 4.803 19.214 24.834 858 HB2 ALA 42 HB2 ALA 42 5.465 18.602 26.366 859 HB3 ALA 42 HB3 ALA 42 6.387 19.772 25.396 860 H PHE 43 H PHE 43 8.701 18.591 23.999 861 HA PHE 43 HA PHE 43 10.192 16.935 26.005 862 HB2 PHE 43 HB2 PHE 43 10.737 17.150 23.040 863 HB3 PHE 43 HB3 PHE 43 11.727 16.285 24.212 864 HD1 PHE 43 HD1 PHE 43 8.721 16.199 22.132 865 HD2 PHE 43 HD2 PHE 43 10.805 14.249 25.379 866 HE1 PHE 43 HE1 PHE 43 7.251 14.225 21.892 867 HE2 PHE 43 HE2 PHE 43 9.303 12.279 25.148 868 HZ PHE 43 HZ PHE 43 7.510 12.272 23.433 869 HA PRO 44 HA PRO 44 12.076 21.076 26.290 870 HB2 PRO 44 HB2 PRO 44 13.423 20.767 28.648 871 HB3 PRO 44 HB3 PRO 44 11.653 21.022 28.547 872 HG2 PRO 44 HG2 PRO 44 13.148 18.403 28.834 873 HG3 PRO 44 HG3 PRO 44 11.749 18.984 29.788 874 HD2 PRO 44 HD2 PRO 44 11.483 17.284 27.661 875 HD3 PRO 44 HD3 PRO 44 10.249 18.541 28.014 876 H GLY 45 H GLY 45 14.042 21.924 25.858 877 HA2 GLY 45 HA2 GLY 45 16.314 22.109 25.474 878 HA3 GLY 45 HA3 GLY 45 16.554 20.447 25.998 879 H LEU 46 H LEU 46 14.196 20.559 23.533 880 HA LEU 46 HA LEU 46 16.212 19.714 21.498 881 HB2 LEU 46 HB2 LEU 46 13.251 19.081 21.628 882 HB3 LEU 46 HB3 LEU 46 14.399 18.491 20.418 883 HG LEU 46 HG LEU 46 14.327 17.757 23.377 884 HD11 LEU 46 HD11 LEU 46 14.020 16.075 20.853 885 HD12 LEU 46 HD12 LEU 46 13.812 15.539 22.534 886 HD13 LEU 46 HD13 LEU 46 12.665 16.689 21.817 887 HD21 LEU 46 HD21 LEU 46 16.685 17.836 22.702 888 HD22 LEU 46 HD22 LEU 46 16.153 16.149 22.820 889 HD23 LEU 46 HD23 LEU 46 16.321 16.919 21.219 890 H ALA 47 H ALA 47 15.793 20.105 19.311 891 HA ALA 47 HA ALA 47 13.782 22.070 18.467 892 HB1 ALA 47 HB1 ALA 47 16.742 22.357 17.772 893 HB2 ALA 47 HB2 ALA 47 15.423 23.262 17.020 894 HB3 ALA 47 HB3 ALA 47 15.749 23.480 18.737 895 H ILE 48 H ILE 48 13.547 21.960 16.011 896 HA ILE 48 HA ILE 48 13.598 19.154 15.112 897 HB ILE 48 HB ILE 48 12.697 21.678 13.689 898 HG12 ILE 48 HG12 ILE 48 10.789 19.523 14.662 899 HG13 ILE 48 HG13 ILE 48 11.380 20.698 15.822 900 HG21 ILE 48 HG21 ILE 48 11.533 20.074 12.131 901 HG22 ILE 48 HG22 ILE 48 13.292 19.975 12.041 902 HG23 ILE 48 HG23 ILE 48 12.376 18.729 12.924 903 HD11 ILE 48 HD11 ILE 48 9.315 21.520 14.931 904 HD12 ILE 48 HD12 ILE 48 10.624 22.570 14.366 905 HD13 ILE 48 HD13 ILE 48 9.901 21.381 13.261 906 H GLY 49 H GLY 49 15.261 18.246 14.071 907 HA2 GLY 49 HA2 GLY 49 17.497 19.928 13.020 908 HA3 GLY 49 HA3 GLY 49 17.536 18.210 13.410 909 H ARG 50 H ARG 50 15.248 17.341 11.992 910 HA ARG 50 HA ARG 50 15.716 18.023 9.125 911 HB2 ARG 50 HB2 ARG 50 15.858 15.151 10.107 912 HB3 ARG 50 HB3 ARG 50 16.103 15.732 8.469 913 HG2 ARG 50 HG2 ARG 50 18.174 16.935 9.262 914 HG3 ARG 50 HG3 ARG 50 17.972 16.164 10.842 915 HD2 ARG 50 HD2 ARG 50 18.346 14.709 8.184 916 HD3 ARG 50 HD3 ARG 50 19.593 14.977 9.415 917 HE ARG 50 HE ARG 50 17.211 13.593 10.434 918 HH11 ARG 50 HH11 ARG 50 20.276 12.971 8.827 919 HH12 ARG 50 HH12 ARG 50 20.317 11.323 9.404 920 HH21 ARG 50 HH21 ARG 50 17.337 11.579 11.121 921 HH22 ARG 50 HH22 ARG 50 18.678 10.532 10.671 922 H VAL 51 H VAL 51 14.107 17.472 7.735 923 HA VAL 51 HA VAL 51 12.043 15.581 8.567 924 HB VAL 51 HB VAL 51 10.901 17.576 9.159 925 HG11 VAL 51 HG11 VAL 51 10.361 19.374 7.598 926 HG12 VAL 51 HG12 VAL 51 12.091 19.263 7.851 927 HG13 VAL 51 HG13 VAL 51 11.388 18.630 6.344 928 HG21 VAL 51 HG21 VAL 51 9.603 15.786 8.005 929 HG22 VAL 51 HG22 VAL 51 8.912 17.397 7.765 930 HG23 VAL 51 HG23 VAL 51 9.830 16.631 6.472 931 H ASP 52 H ASP 52 11.413 14.265 7.012 932 HA ASP 52 HA ASP 52 12.338 14.658 4.194 933 HB2 ASP 52 HB2 ASP 52 13.901 13.251 5.582 934 HB3 ASP 52 HB3 ASP 52 12.571 12.145 5.884 935 H LEU 53 H LEU 53 10.414 15.049 3.273 936 HA LEU 53 HA LEU 53 7.883 13.877 4.103 937 HB2 LEU 53 HB2 LEU 53 8.615 15.373 1.536 938 HB3 LEU 53 HB3 LEU 53 7.009 15.051 2.140 939 HG LEU 53 HG LEU 53 7.398 17.295 2.486 940 HD11 LEU 53 HD11 LEU 53 7.829 15.990 5.200 941 HD12 LEU 53 HD12 LEU 53 7.139 17.604 4.890 942 HD13 LEU 53 HD13 LEU 53 6.276 16.156 4.351 943 HD21 LEU 53 HD21 LEU 53 9.177 18.380 3.583 944 HD22 LEU 53 HD22 LEU 53 9.927 16.861 4.087 945 HD23 LEU 53 HD23 LEU 53 9.869 17.325 2.362 946 H ARG 54 H ARG 54 10.380 13.028 1.861 947 HA ARG 54 HA ARG 54 8.882 11.254 0.090 948 HB2 ARG 54 HB2 ARG 54 10.787 12.105 -0.870 949 HB3 ARG 54 HB3 ARG 54 11.692 12.114 0.624 950 HG2 ARG 54 HG2 ARG 54 11.922 9.556 0.362 951 HG3 ARG 54 HG3 ARG 54 11.260 9.781 -1.268 952 HD2 ARG 54 HD2 ARG 54 13.706 9.779 -1.345 953 HD3 ARG 54 HD3 ARG 54 13.107 11.403 -1.734 954 HE ARG 54 HE ARG 54 13.757 10.919 1.111 955 HH11 ARG 54 HH11 ARG 54 15.028 12.393 -1.860 956 HH12 ARG 54 HH12 ARG 54 16.076 13.417 -0.876 957 HH21 ARG 54 HH21 ARG 54 15.192 12.201 2.129 958 HH22 ARG 54 HH22 ARG 54 16.178 13.310 1.148 959 H SER 55 H SER 55 10.897 10.757 2.987 960 HA SER 55 HA SER 55 10.196 7.892 3.145 961 HB2 SER 55 HB2 SER 55 11.733 9.654 5.092 962 HB3 SER 55 HB3 SER 55 11.633 7.887 5.113 963 HG SER 55 HG SER 55 12.886 9.569 3.199 964 H GLY 56 H GLY 56 9.030 10.889 4.586 965 HA2 GLY 56 HA2 GLY 56 7.181 11.277 5.934 966 HA3 GLY 56 HA3 GLY 56 6.901 9.537 6.105 967 H VAL 57 H VAL 57 9.811 11.530 6.838 968 HA VAL 57 HA VAL 57 9.766 10.512 9.665 969 HB VAL 57 HB VAL 57 12.121 10.520 7.750 970 HG11 VAL 57 HG11 VAL 57 12.981 11.044 9.973 971 HG12 VAL 57 HG12 VAL 57 12.004 9.736 10.698 972 HG13 VAL 57 HG13 VAL 57 13.349 9.368 9.591 973 HG21 VAL 57 HG21 VAL 57 12.111 8.062 8.098 974 HG22 VAL 57 HG22 VAL 57 10.657 8.210 9.114 975 HG23 VAL 57 HG23 VAL 57 10.592 8.599 7.384 976 H ILE 58 H ILE 58 10.488 11.829 11.249 977 HA ILE 58 HA ILE 58 11.778 14.441 10.601 978 HB ILE 58 HB ILE 58 9.509 13.836 12.536 979 HG12 ILE 58 HG12 ILE 58 9.735 16.090 10.509 980 HG13 ILE 58 HG13 ILE 58 9.045 14.520 10.091 981 HG21 ILE 58 HG21 ILE 58 11.272 16.335 12.501 982 HG22 ILE 58 HG22 ILE 58 9.760 16.171 13.421 983 HG23 ILE 58 HG23 ILE 58 11.130 15.156 13.822 984 HD11 ILE 58 HD11 ILE 58 7.928 16.377 12.229 985 HD12 ILE 58 HD12 ILE 58 7.288 16.103 10.607 986 HD13 ILE 58 HD13 ILE 58 7.288 14.780 11.790 987 H SER 59 H SER 59 13.538 14.911 11.790 988 HA SER 59 HA SER 59 14.269 13.134 14.093 989 HB2 SER 59 HB2 SER 59 16.255 14.514 12.274 990 HB3 SER 59 HB3 SER 59 16.587 13.376 13.577 991 HG SER 59 HG SER 59 15.354 11.807 12.319 992 H LEU 60 H LEU 60 14.441 14.143 15.983 993 HA LEU 60 HA LEU 60 14.785 17.101 16.067 994 HB2 LEU 60 HB2 LEU 60 14.162 15.220 18.356 995 HB3 LEU 60 HB3 LEU 60 14.117 16.974 18.375 996 HG LEU 60 HG LEU 60 12.205 15.103 16.934 997 HD11 LEU 60 HD11 LEU 60 10.541 16.109 18.439 998 HD12 LEU 60 HD12 LEU 60 11.878 15.417 19.366 999 HD13 LEU 60 HD13 LEU 60 11.801 17.157 19.137 1000 HD21 LEU 60 HD21 LEU 60 12.504 17.061 15.473 1001 HD22 LEU 60 HD22 LEU 60 10.937 17.141 16.281 1002 HD23 LEU 60 HD23 LEU 60 12.271 18.157 16.863 1003 H ILE 61 H ILE 61 16.306 18.066 17.428 1004 HA ILE 61 HA ILE 61 18.733 16.495 18.168 1005 HB ILE 61 HB ILE 61 20.194 18.201 17.233 1006 HG12 ILE 61 HG12 ILE 61 18.902 19.652 15.332 1007 HG13 ILE 61 HG13 ILE 61 17.639 19.608 16.558 1008 HG21 ILE 61 HG21 ILE 61 19.659 16.201 15.938 1009 HG22 ILE 61 HG22 ILE 61 18.316 17.040 15.146 1010 HG23 ILE 61 HG23 ILE 61 19.982 17.596 14.894 1011 HD11 ILE 61 HD11 ILE 61 19.087 20.706 18.173 1012 HD12 ILE 61 HD12 ILE 61 20.482 20.584 17.063 1013 HD13 ILE 61 HD13 ILE 61 19.094 21.624 16.671 1014 H GLU 62 H GLU 62 20.184 17.716 19.581 1015 HA GLU 62 HA GLU 62 18.694 18.989 21.776 1016 HB2 GLU 62 HB2 GLU 62 21.639 18.329 21.432 1017 HB3 GLU 62 HB3 GLU 62 20.930 19.057 22.877 1018 HG2 GLU 62 HG2 GLU 62 19.389 17.076 23.065 1019 HG3 GLU 62 HG3 GLU 62 20.255 16.301 21.740 1020 H GLU 63 H GLU 63 18.270 21.057 21.881 1021 HA GLU 63 HA GLU 63 19.353 22.949 19.987 1022 HB2 GLU 63 HB2 GLU 63 17.008 22.933 20.640 1023 HB3 GLU 63 HB3 GLU 63 17.421 23.231 22.316 1024 HG2 GLU 63 HG2 GLU 63 16.520 25.207 21.261 1025 HG3 GLU 63 HG3 GLU 63 18.181 25.474 21.782 1026 H GLN 64 H GLN 64 20.622 24.724 20.314 1027 HA GLN 64 HA GLN 64 22.360 24.720 22.761 1028 HB2 GLN 64 HB2 GLN 64 23.075 25.604 19.937 1029 HB3 GLN 64 HB3 GLN 64 24.157 25.473 21.322 1030 HG2 GLN 64 HG2 GLN 64 22.776 23.160 19.876 1031 HG3 GLN 64 HG3 GLN 64 24.480 23.580 19.812 1032 HE21 GLN 64 HE21 GLN 64 22.591 21.247 21.047 1033 HE22 GLN 64 HE22 GLN 64 23.485 20.917 22.530 1034 H ASN 65 H ASN 65 19.810 26.358 21.893 1035 HA ASN 65 HA ASN 65 20.644 29.112 21.799 1036 HB2 ASN 65 HB2 ASN 65 18.464 27.978 20.955 1037 HB3 ASN 65 HB3 ASN 65 17.911 28.031 22.625 1038 HD21 ASN 65 HD21 ASN 65 19.090 30.028 19.919 1039 HD22 ASN 65 HD22 ASN 65 18.225 31.491 20.413 1040 H ARG 66 H ARG 66 20.042 26.942 24.467 1041 HA ARG 66 HA ARG 66 19.451 28.961 26.492 1042 HB2 ARG 66 HB2 ARG 66 20.200 26.037 26.851 1043 HB3 ARG 66 HB3 ARG 66 19.492 27.088 28.057 1044 HG2 ARG 66 HG2 ARG 66 18.180 26.007 25.529 1045 HG3 ARG 66 HG3 ARG 66 17.789 25.614 27.193 1046 HD2 ARG 66 HD2 ARG 66 17.290 28.256 25.757 1047 HD3 ARG 66 HD3 ARG 66 16.083 27.051 26.226 1048 HE ARG 66 HE ARG 66 17.547 27.983 28.522 1049 HH11 ARG 66 HH11 ARG 66 14.903 29.013 26.402 1050 HH12 ARG 66 HH12 ARG 66 14.317 30.128 27.604 1051 HH21 ARG 66 HH21 ARG 66 16.663 29.391 29.969 1052 HH22 ARG 66 HH22 ARG 66 15.238 30.312 29.549 Start of MODEL 12 1 H1 GLY -3 H1 GLY -3 -3.361 1.812 3.002 2 H2 GLY -3 H2 GLY -3 -3.496 0.452 3.904 3 H3 GLY -3 H3 GLY -3 -4.449 0.660 2.595 4 HA2 GLY -3 HA2 GLY -3 -2.715 -0.917 2.071 5 HA3 GLY -3 HA3 GLY -3 -2.562 0.570 1.115 6 HA PRO -2 HA PRO -2 1.543 -0.260 3.172 7 HB2 PRO -2 HB2 PRO -2 3.113 -0.078 0.933 8 HB3 PRO -2 HB3 PRO -2 2.241 -1.570 1.403 9 HG2 PRO -2 HG2 PRO -2 1.371 0.552 -0.581 10 HG3 PRO -2 HG3 PRO -2 1.414 -1.224 -0.814 11 HD2 PRO -2 HD2 PRO -2 -0.872 0.085 -0.116 12 HD3 PRO -2 HD3 PRO -2 -0.501 -1.535 0.542 13 H GLY -1 H GLY -1 3.362 1.192 3.430 14 HA2 GLY -1 HA2 GLY -1 2.678 3.977 3.549 15 HA3 GLY -1 HA3 GLY -1 4.265 3.286 3.871 16 H SER 0 H SER 0 3.675 5.769 2.547 17 HA SER 0 HA SER 0 5.238 5.470 0.084 18 HB2 SER 0 HB2 SER 0 2.894 5.091 -0.652 19 HB3 SER 0 HB3 SER 0 2.456 6.684 -0.002 20 HG SER 0 HG SER 0 2.907 6.692 -2.277 21 H MET 1 H MET 1 5.692 7.659 -0.867 22 HA MET 1 HA MET 1 6.800 9.411 1.132 23 HB2 MET 1 HB2 MET 1 7.607 10.696 -0.789 24 HB3 MET 1 HB3 MET 1 7.900 8.980 -0.992 25 HG2 MET 1 HG2 MET 1 7.206 9.658 -3.105 26 HG3 MET 1 HG3 MET 1 5.772 8.913 -2.426 27 HE1 MET 1 HE1 MET 1 7.316 12.625 -2.007 28 HE2 MET 1 HE2 MET 1 7.533 12.130 -3.702 29 HE3 MET 1 HE3 MET 1 6.395 13.431 -3.294 30 H CYS 2 H CYS 2 6.553 11.714 1.175 31 HA CYS 2 HA CYS 2 3.989 12.918 0.297 32 HB2 CYS 2 HB2 CYS 2 3.783 12.340 2.703 33 HB3 CYS 2 HB3 CYS 2 5.267 13.227 3.026 34 H MET 3 H MET 3 4.213 15.351 0.243 35 HA MET 3 HA MET 3 6.908 16.444 0.375 36 HB2 MET 3 HB2 MET 3 7.006 17.416 -1.806 37 HB3 MET 3 HB3 MET 3 6.775 15.682 -1.979 38 HG2 MET 3 HG2 MET 3 4.333 16.084 -2.381 39 HG3 MET 3 HG3 MET 3 4.637 17.824 -2.291 40 HE1 MET 3 HE1 MET 3 3.151 16.646 -4.753 41 HE2 MET 3 HE2 MET 3 3.629 18.358 -4.625 42 HE3 MET 3 HE3 MET 3 3.990 17.433 -6.103 43 H ALA 4 H ALA 4 6.980 18.699 0.535 44 HA ALA 4 HA ALA 4 4.412 20.078 1.230 45 HB1 ALA 4 HB1 ALA 4 5.648 21.024 3.192 46 HB2 ALA 4 HB2 ALA 4 5.493 19.267 3.262 47 HB3 ALA 4 HB3 ALA 4 7.045 20.015 2.772 48 H LYS 5 H LYS 5 5.107 22.532 1.758 49 HA LYS 5 HA LYS 5 7.176 23.454 -0.176 50 HB2 LYS 5 HB2 LYS 5 5.986 25.416 -0.762 51 HB3 LYS 5 HB3 LYS 5 4.961 24.019 -1.092 52 HG2 LYS 5 HG2 LYS 5 3.684 24.473 1.020 53 HG3 LYS 5 HG3 LYS 5 4.701 25.908 1.282 54 HD2 LYS 5 HD2 LYS 5 3.943 26.803 -0.950 55 HD3 LYS 5 HD3 LYS 5 2.877 25.392 -1.095 56 HE2 LYS 5 HE2 LYS 5 1.533 27.189 -0.347 57 HE3 LYS 5 HE3 LYS 5 1.729 26.092 1.025 58 HZ1 LYS 5 HZ1 LYS 5 3.305 28.588 0.575 59 HZ2 LYS 5 HZ2 LYS 5 2.029 28.465 1.603 60 HZ3 LYS 5 HZ3 LYS 5 3.402 27.631 1.907 61 H VAL 6 H VAL 6 8.619 24.874 0.492 62 HA VAL 6 HA VAL 6 8.787 25.455 3.400 63 HB VAL 6 HB VAL 6 10.759 25.658 1.130 64 HG11 VAL 6 HG11 VAL 6 11.207 27.705 2.410 65 HG12 VAL 6 HG12 VAL 6 11.160 26.778 3.940 66 HG13 VAL 6 HG13 VAL 6 12.449 26.504 2.757 67 HG21 VAL 6 HG21 VAL 6 10.881 24.327 3.870 68 HG22 VAL 6 HG22 VAL 6 10.378 23.490 2.396 69 HG23 VAL 6 HG23 VAL 6 12.027 24.117 2.528 70 H VAL 7 H VAL 7 8.679 27.469 4.278 71 HA VAL 7 HA VAL 7 8.510 29.839 2.508 72 HB VAL 7 HB VAL 7 6.214 29.306 2.955 73 HG11 VAL 7 HG11 VAL 7 6.802 29.560 5.928 74 HG12 VAL 7 HG12 VAL 7 5.204 29.379 5.169 75 HG13 VAL 7 HG13 VAL 7 6.373 28.065 5.070 76 HG21 VAL 7 HG21 VAL 7 5.469 31.435 3.790 77 HG22 VAL 7 HG22 VAL 7 6.984 31.714 4.665 78 HG23 VAL 7 HG23 VAL 7 6.968 31.701 2.885 79 H LEU 8 H LEU 8 9.518 31.595 3.172 80 HA LEU 8 HA LEU 8 10.384 32.037 5.932 81 HB2 LEU 8 HB2 LEU 8 12.740 32.115 5.472 82 HB3 LEU 8 HB3 LEU 8 12.112 30.550 5.004 83 HG LEU 8 HG LEU 8 11.970 31.783 2.573 84 HD11 LEU 8 HD11 LEU 8 14.078 33.087 2.254 85 HD12 LEU 8 HD12 LEU 8 12.989 33.918 3.368 86 HD13 LEU 8 HD13 LEU 8 14.385 33.018 3.999 87 HD21 LEU 8 HD21 LEU 8 14.485 30.537 3.747 88 HD22 LEU 8 HD22 LEU 8 13.094 29.653 3.073 89 HD23 LEU 8 HD23 LEU 8 14.071 30.685 2.025 90 H THR 9 H THR 9 11.397 34.249 6.137 91 HA THR 9 HA THR 9 10.635 36.122 3.934 92 HB THR 9 HB THR 9 9.947 36.647 6.848 93 HG1 THR 9 HG1 THR 9 8.603 35.036 6.091 94 HG21 THR 9 HG21 THR 9 9.061 38.023 4.247 95 HG22 THR 9 HG22 THR 9 8.494 38.411 5.886 96 HG23 THR 9 HG23 THR 9 10.186 38.698 5.459 97 H LYS 10 H LYS 10 12.020 37.680 3.522 98 HA LYS 10 HA LYS 10 14.640 37.799 4.724 99 HB2 LYS 10 HB2 LYS 10 13.195 39.681 2.790 100 HB3 LYS 10 HB3 LYS 10 14.923 39.757 3.157 101 HG2 LYS 10 HG2 LYS 10 15.289 37.549 2.187 102 HG3 LYS 10 HG3 LYS 10 13.552 37.366 1.859 103 HD2 LYS 10 HD2 LYS 10 13.667 39.464 0.461 104 HD3 LYS 10 HD3 LYS 10 15.418 39.482 0.676 105 HE2 LYS 10 HE2 LYS 10 13.814 37.209 -0.588 106 HE3 LYS 10 HE3 LYS 10 14.606 38.499 -1.494 107 HZ1 LYS 10 HZ1 LYS 10 16.023 36.546 0.241 108 HZ2 LYS 10 HZ2 LYS 10 16.018 36.544 -1.394 109 HZ3 LYS 10 HZ3 LYS 10 16.738 37.768 -0.587 110 H ALA 11 H ALA 11 15.660 39.730 5.548 111 HA ALA 11 HA ALA 11 14.305 41.081 7.694 112 HB1 ALA 11 HB1 ALA 11 16.743 40.632 7.628 113 HB2 ALA 11 HB2 ALA 11 16.906 41.722 6.230 114 HB3 ALA 11 HB3 ALA 11 16.412 42.371 7.810 115 H ASP 12 H ASP 12 14.761 41.881 4.272 116 HA ASP 12 HA ASP 12 13.777 44.597 4.384 117 HB2 ASP 12 HB2 ASP 12 14.069 42.574 2.117 118 HB3 ASP 12 HB3 ASP 12 13.717 44.281 1.908 119 H GLY 13 H GLY 13 12.109 41.723 4.933 120 HA2 GLY 13 HA2 GLY 13 9.854 41.424 5.318 121 HA3 GLY 13 HA3 GLY 13 9.470 42.933 4.490 122 H GLY 14 H GLY 14 11.512 41.023 2.539 123 HA2 GLY 14 HA2 GLY 14 9.379 40.384 0.630 124 HA3 GLY 14 HA3 GLY 14 11.108 40.090 0.453 125 H ARG 15 H ARG 15 8.168 38.545 0.773 126 HA ARG 15 HA ARG 15 9.111 36.218 2.304 127 HB2 ARG 15 HB2 ARG 15 6.688 37.108 2.207 128 HB3 ARG 15 HB3 ARG 15 6.602 36.342 0.609 129 HG2 ARG 15 HG2 ARG 15 7.174 34.137 1.667 130 HG3 ARG 15 HG3 ARG 15 7.323 34.948 3.224 131 HD2 ARG 15 HD2 ARG 15 5.212 33.950 3.269 132 HD3 ARG 15 HD3 ARG 15 4.881 35.657 2.973 133 HE ARG 15 HE ARG 15 4.692 33.394 0.992 134 HH11 ARG 15 HH11 ARG 15 3.914 36.779 1.586 135 HH12 ARG 15 HH12 ARG 15 2.911 36.849 0.157 136 HH21 ARG 15 HH21 ARG 15 3.486 33.524 -0.648 137 HH22 ARG 15 HH22 ARG 15 2.638 35.000 -1.110 138 H VAL 16 H VAL 16 9.648 34.226 1.566 139 HA VAL 16 HA VAL 16 10.048 33.769 -1.366 140 HB VAL 16 HB VAL 16 12.068 33.285 0.847 141 HG11 VAL 16 HG11 VAL 16 13.583 32.473 -0.954 142 HG12 VAL 16 HG12 VAL 16 12.205 31.409 -0.691 143 HG13 VAL 16 HG13 VAL 16 12.228 32.510 -2.097 144 HG21 VAL 16 HG21 VAL 16 12.185 35.090 -1.599 145 HG22 VAL 16 HG22 VAL 16 12.083 35.617 0.098 146 HG23 VAL 16 HG23 VAL 16 13.531 34.783 -0.472 147 H GLU 17 H GLU 17 9.525 31.753 -2.027 148 HA GLU 17 HA GLU 17 8.971 29.640 -0.036 149 HB2 GLU 17 HB2 GLU 17 6.971 30.528 -2.155 150 HB3 GLU 17 HB3 GLU 17 6.840 29.080 -1.153 151 HG2 GLU 17 HG2 GLU 17 6.812 30.515 0.880 152 HG3 GLU 17 HG3 GLU 17 6.840 31.960 -0.146 153 H ILE 18 H ILE 18 9.035 27.529 -0.771 154 HA ILE 18 HA ILE 18 9.986 27.024 -3.569 155 HB ILE 18 HB ILE 18 11.158 25.736 -1.078 156 HG12 ILE 18 HG12 ILE 18 12.714 27.463 -3.026 157 HG13 ILE 18 HG13 ILE 18 11.939 28.174 -1.613 158 HG21 ILE 18 HG21 ILE 18 11.873 25.383 -4.033 159 HG22 ILE 18 HG22 ILE 18 12.723 24.624 -2.675 160 HG23 ILE 18 HG23 ILE 18 11.061 24.182 -3.016 161 HD11 ILE 18 HD11 ILE 18 14.279 27.668 -1.156 162 HD12 ILE 18 HD12 ILE 18 13.180 26.749 -0.098 163 HD13 ILE 18 HD13 ILE 18 13.997 25.943 -1.457 164 H GLY 19 H GLY 19 8.628 25.658 -4.515 165 HA2 GLY 19 HA2 GLY 19 6.710 24.035 -2.946 166 HA3 GLY 19 HA3 GLY 19 6.712 24.279 -4.693 167 H ASP 20 H ASP 20 6.221 21.840 -3.621 168 HA ASP 20 HA ASP 20 6.708 19.647 -3.694 169 HB2 ASP 20 HB2 ASP 20 8.433 20.424 -6.054 170 HB3 ASP 20 HB3 ASP 20 7.721 18.846 -5.739 171 H VAL 21 H VAL 21 8.171 20.782 -1.714 172 HA VAL 21 HA VAL 21 10.968 19.901 -1.738 173 HB VAL 21 HB VAL 21 9.207 21.113 0.421 174 HG11 VAL 21 HG11 VAL 21 11.315 21.475 1.680 175 HG12 VAL 21 HG12 VAL 21 10.892 19.773 1.554 176 HG13 VAL 21 HG13 VAL 21 12.173 20.444 0.527 177 HG21 VAL 21 HG21 VAL 21 11.525 22.233 -1.220 178 HG22 VAL 21 HG22 VAL 21 9.810 22.647 -1.423 179 HG23 VAL 21 HG23 VAL 21 10.649 23.106 0.055 180 H LEU 22 H LEU 22 11.742 18.017 -1.138 181 HA LEU 22 HA LEU 22 10.021 16.031 0.273 182 HB2 LEU 22 HB2 LEU 22 12.736 15.781 -1.091 183 HB3 LEU 22 HB3 LEU 22 11.904 14.473 -0.256 184 HG LEU 22 HG LEU 22 10.935 15.885 -2.780 185 HD11 LEU 22 HD11 LEU 22 12.830 14.393 -3.174 186 HD12 LEU 22 HD12 LEU 22 12.058 13.108 -2.229 187 HD13 LEU 22 HD13 LEU 22 11.356 13.617 -3.777 188 HD21 LEU 22 HD21 LEU 22 9.199 14.154 -2.875 189 HD22 LEU 22 HD22 LEU 22 9.695 13.551 -1.271 190 HD23 LEU 22 HD23 LEU 22 8.999 15.171 -1.458 191 H GLU 23 H GLU 23 13.015 17.953 0.680 192 HA GLU 23 HA GLU 23 13.186 16.944 3.481 193 HB2 GLU 23 HB2 GLU 23 15.680 17.294 1.804 194 HB3 GLU 23 HB3 GLU 23 15.468 16.515 3.372 195 HG2 GLU 23 HG2 GLU 23 13.985 14.828 2.151 196 HG3 GLU 23 HG3 GLU 23 14.592 15.496 0.639 197 H VAL 24 H VAL 24 13.992 18.266 5.020 198 HA VAL 24 HA VAL 24 15.153 20.892 4.301 199 HB VAL 24 HB VAL 24 12.817 20.681 6.243 200 HG11 VAL 24 HG11 VAL 24 12.997 23.125 6.354 201 HG12 VAL 24 HG12 VAL 24 14.500 22.395 6.898 202 HG13 VAL 24 HG13 VAL 24 14.405 23.103 5.276 203 HG21 VAL 24 HG21 VAL 24 11.648 22.182 4.642 204 HG22 VAL 24 HG22 VAL 24 12.989 21.975 3.495 205 HG23 VAL 24 HG23 VAL 24 11.966 20.596 3.959 206 H ARG 25 H ARG 25 16.882 21.298 5.597 207 HA ARG 25 HA ARG 25 17.284 19.623 8.068 208 HB2 ARG 25 HB2 ARG 25 19.265 20.039 5.795 209 HB3 ARG 25 HB3 ARG 25 19.556 19.150 7.275 210 HG2 ARG 25 HG2 ARG 25 17.846 17.462 6.617 211 HG3 ARG 25 HG3 ARG 25 17.563 18.342 5.099 212 HD2 ARG 25 HD2 ARG 25 19.913 18.060 4.459 213 HD3 ARG 25 HD3 ARG 25 20.256 17.228 5.988 214 HE ARG 25 HE ARG 25 18.207 16.111 4.111 215 HH11 ARG 25 HH11 ARG 25 18.432 14.097 3.394 216 HH12 ARG 25 HH12 ARG 25 19.850 13.140 3.792 217 HH21 ARG 25 HH21 ARG 25 21.406 15.676 5.518 218 HH22 ARG 25 HH22 ARG 25 21.490 14.022 4.975 219 H ALA 26 H ALA 26 17.750 20.856 9.769 220 HA ALA 26 HA ALA 26 19.100 23.471 9.471 221 HB1 ALA 26 HB1 ALA 26 18.876 23.601 11.889 222 HB2 ALA 26 HB2 ALA 26 17.309 23.241 11.137 223 HB3 ALA 26 HB3 ALA 26 18.227 21.953 11.958 224 H GLU 27 H GLU 27 21.196 23.824 9.799 225 HA GLU 27 HA GLU 27 23.046 21.623 10.634 226 HB2 GLU 27 HB2 GLU 27 23.337 23.477 8.228 227 HB3 GLU 27 HB3 GLU 27 24.516 22.286 8.740 228 HG2 GLU 27 HG2 GLU 27 21.736 21.714 7.652 229 HG3 GLU 27 HG3 GLU 27 23.273 21.507 6.814 230 H GLY 28 H GLY 28 25.421 22.913 10.414 231 HA2 GLY 28 HA2 GLY 28 25.537 24.593 12.736 232 HA3 GLY 28 HA3 GLY 28 26.864 24.227 11.619 233 H GLY 29 H GLY 29 23.914 26.199 11.878 234 HA2 GLY 29 HA2 GLY 29 23.867 28.582 11.886 235 HA3 GLY 29 HA3 GLY 29 25.393 28.639 10.998 236 H ALA 30 H ALA 30 22.901 26.475 9.772 237 HA ALA 30 HA ALA 30 21.675 28.428 7.979 238 HB1 ALA 30 HB1 ALA 30 23.495 26.242 6.867 239 HB2 ALA 30 HB2 ALA 30 22.508 27.357 5.907 240 HB3 ALA 30 HB3 ALA 30 23.863 27.979 6.857 241 H VAL 31 H VAL 31 20.054 27.473 6.578 242 HA VAL 31 HA VAL 31 19.224 24.674 7.263 243 HB VAL 31 HB VAL 31 17.413 26.990 6.532 244 HG11 VAL 31 HG11 VAL 31 15.558 25.299 6.674 245 HG12 VAL 31 HG12 VAL 31 16.580 25.084 5.262 246 HG13 VAL 31 HG13 VAL 31 16.766 24.005 6.656 247 HG21 VAL 31 HG21 VAL 31 18.065 26.676 8.941 248 HG22 VAL 31 HG22 VAL 31 16.326 26.479 8.649 249 HG23 VAL 31 HG23 VAL 31 17.358 25.057 8.893 250 H ARG 32 H ARG 32 19.072 23.262 5.676 251 HA ARG 32 HA ARG 32 19.465 24.095 2.818 252 HB2 ARG 32 HB2 ARG 32 20.117 21.489 4.240 253 HB3 ARG 32 HB3 ARG 32 20.266 21.736 2.497 254 HG2 ARG 32 HG2 ARG 32 22.008 23.401 2.789 255 HG3 ARG 32 HG3 ARG 32 21.775 23.424 4.538 256 HD2 ARG 32 HD2 ARG 32 23.727 22.152 4.125 257 HD3 ARG 32 HD3 ARG 32 22.463 21.043 4.672 258 HE ARG 32 HE ARG 32 22.440 21.071 1.804 259 HH11 ARG 32 HH11 ARG 32 24.552 19.890 4.349 260 HH12 ARG 32 HH12 ARG 32 25.194 18.637 3.316 261 HH21 ARG 32 HH21 ARG 32 23.247 19.580 0.623 262 HH22 ARG 32 HH22 ARG 32 24.492 18.454 1.200 263 H VAL 33 H VAL 33 18.176 23.101 1.237 264 HA VAL 33 HA VAL 33 15.700 21.660 2.084 265 HB VAL 33 HB VAL 33 15.831 24.138 0.324 266 HG11 VAL 33 HG11 VAL 33 13.355 24.010 0.318 267 HG12 VAL 33 HG12 VAL 33 14.083 22.629 -0.506 268 HG13 VAL 33 HG13 VAL 33 13.450 22.444 1.146 269 HG21 VAL 33 HG21 VAL 33 14.585 23.765 3.067 270 HG22 VAL 33 HG22 VAL 33 15.986 24.777 2.682 271 HG23 VAL 33 HG23 VAL 33 14.398 25.195 2.032 272 H THR 34 H THR 34 15.175 19.979 0.664 273 HA THR 34 HA THR 34 16.444 19.994 -2.062 274 HB THR 34 HB THR 34 15.949 17.559 -0.345 275 HG1 THR 34 HG1 THR 34 18.390 18.832 -1.016 276 HG21 THR 34 HG21 THR 34 17.437 16.428 -2.000 277 HG22 THR 34 HG22 THR 34 15.898 16.950 -2.691 278 HG23 THR 34 HG23 THR 34 17.375 17.887 -3.012 279 H THR 35 H THR 35 15.153 19.710 -3.766 280 HA THR 35 HA THR 35 12.251 19.389 -3.346 281 HB THR 35 HB THR 35 11.958 20.134 -5.558 282 HG1 THR 35 HG1 THR 35 13.788 20.526 -6.902 283 HG21 THR 35 HG21 THR 35 12.621 21.901 -3.921 284 HG22 THR 35 HG22 THR 35 14.303 21.765 -4.512 285 HG23 THR 35 HG23 THR 35 13.007 22.294 -5.606 286 H LEU 36 H LEU 36 10.958 18.121 -4.859 287 HA LEU 36 HA LEU 36 11.516 15.374 -5.116 288 HB2 LEU 36 HB2 LEU 36 9.341 16.391 -5.121 289 HB3 LEU 36 HB3 LEU 36 9.650 17.254 -6.624 290 HG LEU 36 HG LEU 36 9.828 14.230 -6.641 291 HD11 LEU 36 HD11 LEU 36 7.243 15.822 -6.722 292 HD12 LEU 36 HD12 LEU 36 7.413 14.087 -7.065 293 HD13 LEU 36 HD13 LEU 36 7.736 14.697 -5.432 294 HD21 LEU 36 HD21 LEU 36 8.671 16.238 -8.634 295 HD22 LEU 36 HD22 LEU 36 10.295 15.536 -8.756 296 HD23 LEU 36 HD23 LEU 36 8.896 14.489 -8.897 297 H PHE 37 H PHE 37 12.463 18.016 -7.206 298 HA PHE 37 HA PHE 37 13.306 16.306 -9.439 299 HB2 PHE 37 HB2 PHE 37 13.706 19.287 -9.061 300 HB3 PHE 37 HB3 PHE 37 13.725 18.374 -10.572 301 HD1 PHE 37 HD1 PHE 37 11.651 20.231 -8.269 302 HD2 PHE 37 HD2 PHE 37 11.540 17.166 -11.292 303 HE1 PHE 37 HE1 PHE 37 9.208 20.559 -8.499 304 HE2 PHE 37 HE2 PHE 37 9.084 17.488 -11.523 305 HZ PHE 37 HZ PHE 37 7.916 19.192 -10.118 306 H ASP 38 H ASP 38 14.679 16.630 -6.532 307 HA ASP 38 HA ASP 38 16.686 16.478 -5.608 308 HB2 ASP 38 HB2 ASP 38 17.820 15.628 -8.281 309 HB3 ASP 38 HB3 ASP 38 18.517 15.353 -6.692 310 H GLU 39 H GLU 39 15.895 19.057 -6.954 311 HA GLU 39 HA GLU 39 18.493 20.446 -7.224 312 HB2 GLU 39 HB2 GLU 39 15.663 21.541 -7.156 313 HB3 GLU 39 HB3 GLU 39 17.115 22.485 -7.408 314 HG2 GLU 39 HG2 GLU 39 16.050 20.300 -9.251 315 HG3 GLU 39 HG3 GLU 39 15.963 22.033 -9.516 316 H GLU 40 H GLU 40 19.180 22.085 -5.757 317 HA GLU 40 HA GLU 40 18.195 21.734 -2.965 318 HB2 GLU 40 HB2 GLU 40 20.160 20.357 -3.303 319 HB3 GLU 40 HB3 GLU 40 21.069 21.757 -3.903 320 HG2 GLU 40 HG2 GLU 40 20.990 22.822 -1.718 321 HG3 GLU 40 HG3 GLU 40 19.856 21.610 -1.127 322 H HIS 41 H HIS 41 18.100 23.433 -1.674 323 HA HIS 41 HA HIS 41 19.198 26.076 -2.533 324 HB2 HIS 41 HB2 HIS 41 16.529 25.676 -1.155 325 HB3 HIS 41 HB3 HIS 41 17.233 27.196 -1.706 326 HD2 HIS 41 HD2 HIS 41 15.324 24.119 -2.951 327 HE1 HIS 41 HE1 HIS 41 15.663 26.708 -6.321 328 HE2 HIS 41 HE2 HIS 41 14.595 24.575 -5.436 329 H ALA 42 H ALA 42 19.897 27.401 -0.775 330 HA ALA 42 HA ALA 42 19.823 26.278 1.943 331 HB1 ALA 42 HB1 ALA 42 22.264 26.457 2.214 332 HB2 ALA 42 HB2 ALA 42 21.851 25.300 0.926 333 HB3 ALA 42 HB3 ALA 42 22.427 26.929 0.504 334 H PHE 43 H PHE 43 19.977 27.705 3.572 335 HA PHE 43 HA PHE 43 20.076 30.625 2.932 336 HB2 PHE 43 HB2 PHE 43 17.969 29.184 4.551 337 HB3 PHE 43 HB3 PHE 43 18.075 30.928 4.310 338 HD1 PHE 43 HD1 PHE 43 17.096 27.730 2.813 339 HD2 PHE 43 HD2 PHE 43 17.689 31.928 2.032 340 HE1 PHE 43 HE1 PHE 43 15.860 27.515 0.667 341 HE2 PHE 43 HE2 PHE 43 16.454 31.717 -0.109 342 HZ PHE 43 HZ PHE 43 15.545 29.503 -0.793 343 HA PRO 44 HA PRO 44 22.674 30.139 6.630 344 HB2 PRO 44 HB2 PRO 44 23.911 32.570 6.636 345 HB3 PRO 44 HB3 PRO 44 24.344 31.245 5.516 346 HG2 PRO 44 HG2 PRO 44 22.518 33.616 4.992 347 HG3 PRO 44 HG3 PRO 44 23.856 33.004 3.973 348 HD2 PRO 44 HD2 PRO 44 21.248 32.338 3.517 349 HD3 PRO 44 HD3 PRO 44 22.576 31.165 3.217 350 H GLY 45 H GLY 45 22.498 30.762 8.746 351 HA2 GLY 45 HA2 GLY 45 21.905 31.875 10.630 352 HA3 GLY 45 HA3 GLY 45 21.302 33.217 9.662 353 H LEU 46 H LEU 46 19.667 30.419 8.690 354 HA LEU 46 HA LEU 46 17.323 31.026 10.420 355 HB2 LEU 46 HB2 LEU 46 17.525 29.333 7.899 356 HB3 LEU 46 HB3 LEU 46 16.045 29.710 8.784 357 HG LEU 46 HG LEU 46 17.792 31.641 7.199 358 HD11 LEU 46 HD11 LEU 46 14.872 30.798 6.866 359 HD12 LEU 46 HD12 LEU 46 15.813 31.851 5.790 360 HD13 LEU 46 HD13 LEU 46 16.231 30.137 5.940 361 HD21 LEU 46 HD21 LEU 46 16.050 33.356 7.698 362 HD22 LEU 46 HD22 LEU 46 15.303 32.244 8.871 363 HD23 LEU 46 HD23 LEU 46 16.947 32.881 9.140 364 H ALA 47 H ALA 47 15.991 29.279 11.131 365 HA ALA 47 HA ALA 47 17.097 26.563 11.369 366 HB1 ALA 47 HB1 ALA 47 16.399 26.416 13.732 367 HB2 ALA 47 HB2 ALA 47 17.691 27.606 13.520 368 HB3 ALA 47 HB3 ALA 47 16.006 28.148 13.730 369 H ILE 48 H ILE 48 15.337 24.991 11.893 370 HA ILE 48 HA ILE 48 12.898 25.607 10.387 371 HB ILE 48 HB ILE 48 13.650 23.092 11.920 372 HG12 ILE 48 HG12 ILE 48 13.792 23.576 8.906 373 HG13 ILE 48 HG13 ILE 48 15.186 23.696 9.976 374 HG21 ILE 48 HG21 ILE 48 11.434 23.641 9.873 375 HG22 ILE 48 HG22 ILE 48 11.832 22.054 10.539 376 HG23 ILE 48 HG23 ILE 48 11.200 23.296 11.602 377 HD11 ILE 48 HD11 ILE 48 15.269 21.537 8.997 378 HD12 ILE 48 HD12 ILE 48 14.803 21.313 10.690 379 HD13 ILE 48 HD13 ILE 48 13.579 21.202 9.398 380 H GLY 49 H GLY 49 11.102 26.474 11.203 381 HA2 GLY 49 HA2 GLY 49 10.829 26.852 14.143 382 HA3 GLY 49 HA3 GLY 49 9.991 27.727 12.857 383 H ARG 50 H ARG 50 8.893 25.662 11.351 384 HA ARG 50 HA ARG 50 7.377 23.852 13.107 385 HB2 ARG 50 HB2 ARG 50 6.115 25.939 13.307 386 HB3 ARG 50 HB3 ARG 50 5.994 26.073 11.549 387 HG2 ARG 50 HG2 ARG 50 4.539 24.121 11.437 388 HG3 ARG 50 HG3 ARG 50 4.806 23.777 13.156 389 HD2 ARG 50 HD2 ARG 50 3.702 25.888 13.773 390 HD3 ARG 50 HD3 ARG 50 3.464 26.302 12.078 391 HE ARG 50 HE ARG 50 2.090 24.113 13.594 392 HH11 ARG 50 HH11 ARG 50 2.246 25.806 10.487 393 HH12 ARG 50 HH12 ARG 50 0.872 24.869 9.911 394 HH21 ARG 50 HH21 ARG 50 0.409 23.165 12.794 395 HH22 ARG 50 HH22 ARG 50 -0.090 23.448 11.104 396 H VAL 51 H VAL 51 6.452 22.167 12.140 397 HA VAL 51 HA VAL 51 6.605 21.818 9.167 398 HB VAL 51 HB VAL 51 7.214 19.730 11.299 399 HG11 VAL 51 HG11 VAL 51 6.118 18.617 9.455 400 HG12 VAL 51 HG12 VAL 51 7.094 19.511 8.262 401 HG13 VAL 51 HG13 VAL 51 7.848 18.290 9.308 402 HG21 VAL 51 HG21 VAL 51 9.085 20.941 9.215 403 HG22 VAL 51 HG22 VAL 51 9.119 21.307 10.947 404 HG23 VAL 51 HG23 VAL 51 9.472 19.674 10.399 405 H ASP 52 H ASP 52 4.674 21.307 8.305 406 HA ASP 52 HA ASP 52 2.471 20.249 10.049 407 HB2 ASP 52 HB2 ASP 52 2.406 22.684 9.835 408 HB3 ASP 52 HB3 ASP 52 2.390 22.563 8.081 409 H LEU 53 H LEU 53 2.168 18.281 9.308 410 HA LEU 53 HA LEU 53 2.561 17.495 6.509 411 HB2 LEU 53 HB2 LEU 53 1.504 15.887 8.876 412 HB3 LEU 53 HB3 LEU 53 2.009 15.272 7.323 413 HG LEU 53 HG LEU 53 3.706 14.672 8.698 414 HD11 LEU 53 HD11 LEU 53 5.692 15.833 7.932 415 HD12 LEU 53 HD12 LEU 53 4.522 15.721 6.607 416 HD13 LEU 53 HD13 LEU 53 4.745 17.261 7.485 417 HD21 LEU 53 HD21 LEU 53 4.906 15.975 10.311 418 HD22 LEU 53 HD22 LEU 53 4.021 17.440 9.895 419 HD23 LEU 53 HD23 LEU 53 3.179 16.078 10.659 420 H ARG 54 H ARG 54 -0.132 18.388 8.572 421 HA ARG 54 HA ARG 54 -2.259 17.229 6.970 422 HB2 ARG 54 HB2 ARG 54 -2.484 17.894 9.364 423 HB3 ARG 54 HB3 ARG 54 -2.376 19.581 8.878 424 HG2 ARG 54 HG2 ARG 54 -4.428 19.240 7.435 425 HG3 ARG 54 HG3 ARG 54 -4.518 17.580 8.041 426 HD2 ARG 54 HD2 ARG 54 -6.077 18.965 9.276 427 HD3 ARG 54 HD3 ARG 54 -4.777 18.452 10.348 428 HE ARG 54 HE ARG 54 -3.939 20.640 10.465 429 HH11 ARG 54 HH11 ARG 54 -6.627 20.642 8.196 430 HH12 ARG 54 HH12 ARG 54 -6.700 22.376 8.167 431 HH21 ARG 54 HH21 ARG 54 -4.123 22.843 10.390 432 HH22 ARG 54 HH22 ARG 54 -5.330 23.582 9.384 433 H SER 55 H SER 55 -0.882 20.522 7.180 434 HA SER 55 HA SER 55 -2.378 21.438 4.828 435 HB2 SER 55 HB2 SER 55 -1.876 22.789 6.909 436 HB3 SER 55 HB3 SER 55 -0.191 22.883 6.361 437 HG SER 55 HG SER 55 -0.935 23.928 4.473 438 H GLY 56 H GLY 56 0.839 20.139 5.394 439 HA2 GLY 56 HA2 GLY 56 2.457 19.492 3.875 440 HA3 GLY 56 HA3 GLY 56 1.505 20.160 2.546 441 H VAL 57 H VAL 57 2.891 21.642 5.521 442 HA VAL 57 HA VAL 57 4.442 23.593 3.854 443 HB VAL 57 HB VAL 57 2.522 24.328 6.092 444 HG11 VAL 57 HG11 VAL 57 4.449 26.084 4.511 445 HG12 VAL 57 HG12 VAL 57 3.131 26.689 5.549 446 HG13 VAL 57 HG13 VAL 57 4.471 25.799 6.267 447 HG21 VAL 57 HG21 VAL 57 2.523 25.033 3.122 448 HG22 VAL 57 HG22 VAL 57 1.371 23.969 3.952 449 HG23 VAL 57 HG23 VAL 57 1.403 25.684 4.344 450 H ILE 58 H ILE 58 6.341 24.282 4.656 451 HA ILE 58 HA ILE 58 7.096 23.588 7.465 452 HB ILE 58 HB ILE 58 8.861 23.325 5.001 453 HG12 ILE 58 HG12 ILE 58 8.024 21.202 7.023 454 HG13 ILE 58 HG13 ILE 58 7.207 21.428 5.479 455 HG21 ILE 58 HG21 ILE 58 10.171 24.253 6.849 456 HG22 ILE 58 HG22 ILE 58 9.487 23.067 7.985 457 HG23 ILE 58 HG23 ILE 58 10.589 22.549 6.700 458 HD11 ILE 58 HD11 ILE 58 8.713 19.612 5.233 459 HD12 ILE 58 HD12 ILE 58 9.299 20.968 4.254 460 HD13 ILE 58 HD13 ILE 58 10.083 20.561 5.816 461 H SER 59 H SER 59 7.693 25.302 8.607 462 HA SER 59 HA SER 59 8.143 27.918 7.206 463 HB2 SER 59 HB2 SER 59 6.078 27.795 8.534 464 HB3 SER 59 HB3 SER 59 7.030 27.357 9.960 465 HG SER 59 HG SER 59 6.978 29.809 8.559 466 H LEU 60 H LEU 60 10.045 28.924 7.438 467 HA LEU 60 HA LEU 60 11.978 27.943 9.485 468 HB2 LEU 60 HB2 LEU 60 12.553 29.630 7.047 469 HB3 LEU 60 HB3 LEU 60 13.714 28.871 8.138 470 HG LEU 60 HG LEU 60 11.845 27.445 6.183 471 HD11 LEU 60 HD11 LEU 60 13.808 28.561 5.180 472 HD12 LEU 60 HD12 LEU 60 14.880 27.695 6.290 473 HD13 LEU 60 HD13 LEU 60 13.935 26.800 5.073 474 HD21 LEU 60 HD21 LEU 60 13.857 26.263 8.159 475 HD22 LEU 60 HD22 LEU 60 12.094 26.015 8.143 476 HD23 LEU 60 HD23 LEU 60 13.078 25.382 6.829 477 H ILE 61 H ILE 61 13.166 29.369 10.728 478 HA ILE 61 HA ILE 61 12.206 32.162 11.025 479 HB ILE 61 HB ILE 61 12.026 31.943 13.434 480 HG12 ILE 61 HG12 ILE 61 11.731 29.279 14.102 481 HG13 ILE 61 HG13 ILE 61 13.084 29.194 12.971 482 HG21 ILE 61 HG21 ILE 61 10.012 31.657 12.048 483 HG22 ILE 61 HG22 ILE 61 10.253 29.894 12.056 484 HG23 ILE 61 HG23 ILE 61 9.927 30.751 13.572 485 HD11 ILE 61 HD11 ILE 61 13.778 29.423 15.343 486 HD12 ILE 61 HD12 ILE 61 14.382 30.727 14.328 487 HD13 ILE 61 HD13 ILE 61 12.991 31.017 15.405 488 H GLU 62 H GLU 62 13.630 33.477 12.376 489 HA GLU 62 HA GLU 62 16.400 33.131 11.608 490 HB2 GLU 62 HB2 GLU 62 15.210 35.160 13.540 491 HB3 GLU 62 HB3 GLU 62 16.790 35.201 12.789 492 HG2 GLU 62 HG2 GLU 62 15.750 36.614 11.382 493 HG3 GLU 62 HG3 GLU 62 15.373 35.129 10.516 494 H GLU 63 H GLU 63 17.898 31.943 12.601 495 HA GLU 63 HA GLU 63 17.488 30.505 15.025 496 HB2 GLU 63 HB2 GLU 63 18.875 29.716 13.206 497 HB3 GLU 63 HB3 GLU 63 19.914 31.111 13.355 498 HG2 GLU 63 HG2 GLU 63 20.385 30.152 15.792 499 HG3 GLU 63 HG3 GLU 63 19.774 28.669 15.083 500 H GLN 64 H GLN 64 17.660 31.095 17.089 501 HA GLN 64 HA GLN 64 18.777 33.706 17.812 502 HB2 GLN 64 HB2 GLN 64 17.207 31.666 19.429 503 HB3 GLN 64 HB3 GLN 64 17.610 33.288 19.967 504 HG2 GLN 64 HG2 GLN 64 15.809 32.591 17.616 505 HG3 GLN 64 HG3 GLN 64 15.310 33.191 19.194 506 HE21 GLN 64 HE21 GLN 64 15.839 34.201 16.048 507 HE22 GLN 64 HE22 GLN 64 16.137 35.909 16.388 508 H ASN 65 H ASN 65 20.333 30.917 17.470 509 HA ASN 65 HA ASN 65 21.678 30.571 20.008 510 HB2 ASN 65 HB2 ASN 65 21.285 28.796 18.284 511 HB3 ASN 65 HB3 ASN 65 22.445 29.598 17.215 512 HD21 ASN 65 HD21 ASN 65 22.159 28.208 20.506 513 HD22 ASN 65 HD22 ASN 65 23.826 27.612 20.542 514 H ARG 66 H ARG 66 22.260 32.737 17.364 515 HA ARG 66 HA ARG 66 25.116 33.126 17.746 516 HB2 ARG 66 HB2 ARG 66 23.053 34.835 16.284 517 HB3 ARG 66 HB3 ARG 66 24.815 35.045 16.222 518 HG2 ARG 66 HG2 ARG 66 25.021 32.696 15.334 519 HG3 ARG 66 HG3 ARG 66 23.253 32.610 15.248 520 HD2 ARG 66 HD2 ARG 66 25.052 34.570 13.750 521 HD3 ARG 66 HD3 ARG 66 24.265 33.164 13.059 522 HE ARG 66 HE ARG 66 23.088 35.763 13.598 523 HH11 ARG 66 HH11 ARG 66 21.058 36.190 12.877 524 HH12 ARG 66 HH12 ARG 66 19.976 34.882 12.468 525 HH21 ARG 66 HH21 ARG 66 22.124 32.355 13.297 526 HH22 ARG 66 HH22 ARG 66 20.588 32.833 12.628 527 H1 GLY -3 H1 GLY -3 -10.953 24.225 0.728 528 H2 GLY -3 H2 GLY -3 -11.877 23.889 2.039 529 H3 GLY -3 H3 GLY -3 -11.603 22.735 0.906 530 HA2 GLY -3 HA2 GLY -3 -9.563 23.909 2.677 531 HA3 GLY -3 HA3 GLY -3 -10.272 22.297 2.850 532 HA PRO -2 HA PRO -2 -6.283 22.298 0.415 533 HB2 PRO -2 HB2 PRO -2 -5.732 20.007 2.317 534 HB3 PRO -2 HB3 PRO -2 -4.606 21.251 1.693 535 HG2 PRO -2 HG2 PRO -2 -5.615 21.467 4.193 536 HG3 PRO -2 HG3 PRO -2 -5.573 22.921 3.139 537 HD2 PRO -2 HD2 PRO -2 -7.905 21.042 3.665 538 HD3 PRO -2 HD3 PRO -2 -7.875 22.826 3.707 539 H GLY -1 H GLY -1 -8.419 19.583 1.256 540 HA2 GLY -1 HA2 GLY -1 -9.283 17.874 -0.037 541 HA3 GLY -1 HA3 GLY -1 -8.459 18.542 -1.445 542 H SER 0 H SER 0 -6.059 18.069 0.792 543 HA SER 0 HA SER 0 -5.648 15.192 0.625 544 HB2 SER 0 HB2 SER 0 -4.865 15.949 -1.616 545 HB3 SER 0 HB3 SER 0 -3.740 17.074 -0.830 546 HG SER 0 HG SER 0 -2.759 15.052 -1.423 547 H MET 1 H MET 1 -3.916 14.493 2.004 548 HA MET 1 HA MET 1 -2.463 16.421 3.651 549 HB2 MET 1 HB2 MET 1 -3.413 15.728 5.794 550 HB3 MET 1 HB3 MET 1 -4.642 16.421 4.765 551 HG2 MET 1 HG2 MET 1 -5.717 14.617 5.744 552 HG3 MET 1 HG3 MET 1 -5.313 14.026 4.143 553 HE1 MET 1 HE1 MET 1 -4.856 13.735 7.999 554 HE2 MET 1 HE2 MET 1 -3.476 12.633 8.186 555 HE3 MET 1 HE3 MET 1 -3.211 14.284 7.597 556 H CYS 2 H CYS 2 -1.023 15.400 5.200 557 HA CYS 2 HA CYS 2 -0.327 12.538 4.693 558 HB2 CYS 2 HB2 CYS 2 1.582 14.874 5.060 559 HB3 CYS 2 HB3 CYS 2 2.046 13.189 4.934 560 H MET 3 H MET 3 1.091 11.702 6.484 561 HA MET 3 HA MET 3 1.327 13.278 8.913 562 HB2 MET 3 HB2 MET 3 0.454 11.656 10.469 563 HB3 MET 3 HB3 MET 3 -0.812 12.149 9.345 564 HG2 MET 3 HG2 MET 3 -0.435 10.050 8.045 565 HG3 MET 3 HG3 MET 3 0.745 9.542 9.260 566 HE1 MET 3 HE1 MET 3 -1.611 7.687 8.413 567 HE2 MET 3 HE2 MET 3 -0.480 7.285 9.733 568 HE3 MET 3 HE3 MET 3 -2.233 7.133 9.985 569 H ALA 4 H ALA 4 2.989 12.532 10.306 570 HA ALA 4 HA ALA 4 5.016 10.776 8.951 571 HB1 ALA 4 HB1 ALA 4 5.394 13.484 10.323 572 HB2 ALA 4 HB2 ALA 4 6.694 12.474 9.646 573 HB3 ALA 4 HB3 ALA 4 5.464 13.157 8.580 574 H LYS 5 H LYS 5 6.941 10.416 10.509 575 HA LYS 5 HA LYS 5 6.010 9.957 13.302 576 HB2 LYS 5 HB2 LYS 5 7.593 8.061 13.494 577 HB3 LYS 5 HB3 LYS 5 6.182 7.747 12.509 578 HG2 LYS 5 HG2 LYS 5 8.677 8.650 11.084 579 HG3 LYS 5 HG3 LYS 5 8.671 7.026 11.782 580 HD2 LYS 5 HD2 LYS 5 6.747 6.359 10.473 581 HD3 LYS 5 HD3 LYS 5 6.498 8.010 9.872 582 HE2 LYS 5 HE2 LYS 5 8.724 7.947 8.789 583 HE3 LYS 5 HE3 LYS 5 8.960 6.285 9.357 584 HZ1 LYS 5 HZ1 LYS 5 6.718 7.112 7.588 585 HZ2 LYS 5 HZ2 LYS 5 8.133 6.522 7.029 586 HZ3 LYS 5 HZ3 LYS 5 7.154 5.585 7.967 587 H VAL 6 H VAL 6 7.139 10.740 14.867 588 HA VAL 6 HA VAL 6 9.566 12.368 14.317 589 HB VAL 6 HB VAL 6 7.587 12.290 16.607 590 HG11 VAL 6 HG11 VAL 6 8.919 14.113 17.672 591 HG12 VAL 6 HG12 VAL 6 9.753 12.564 17.721 592 HG13 VAL 6 HG13 VAL 6 10.236 13.788 16.523 593 HG21 VAL 6 HG21 VAL 6 7.072 13.640 14.546 594 HG22 VAL 6 HG22 VAL 6 7.245 14.612 16.010 595 HG23 VAL 6 HG23 VAL 6 8.566 14.556 14.835 596 H VAL 7 H VAL 7 11.518 11.981 15.288 597 HA VAL 7 HA VAL 7 11.787 9.741 17.214 598 HB VAL 7 HB VAL 7 12.244 8.758 15.039 599 HG11 VAL 7 HG11 VAL 7 14.557 10.725 14.782 600 HG12 VAL 7 HG12 VAL 7 14.191 9.366 13.695 601 HG13 VAL 7 HG13 VAL 7 13.079 10.731 13.799 602 HG21 VAL 7 HG21 VAL 7 14.833 9.045 16.609 603 HG22 VAL 7 HG22 VAL 7 13.479 7.984 17.070 604 HG23 VAL 7 HG23 VAL 7 14.344 7.713 15.549 605 H LEU 8 H LEU 8 13.260 9.933 18.738 606 HA LEU 8 HA LEU 8 15.321 12.013 18.765 607 HB2 LEU 8 HB2 LEU 8 14.548 13.132 20.755 608 HB3 LEU 8 HB3 LEU 8 13.293 13.170 19.548 609 HG LEU 8 HG LEU 8 12.493 10.941 20.910 610 HD11 LEU 8 HD11 LEU 8 12.651 11.460 23.331 611 HD12 LEU 8 HD12 LEU 8 14.250 11.146 22.648 612 HD13 LEU 8 HD13 LEU 8 13.734 12.813 22.979 613 HD21 LEU 8 HD21 LEU 8 11.068 12.856 20.370 614 HD22 LEU 8 HD22 LEU 8 10.869 12.378 22.051 615 HD23 LEU 8 HD23 LEU 8 11.843 13.815 21.655 616 H THR 9 H THR 9 16.702 11.783 20.774 617 HA THR 9 HA THR 9 16.630 9.034 21.953 618 HB THR 9 HB THR 9 19.193 10.261 20.899 619 HG1 THR 9 HG1 THR 9 17.928 9.743 19.148 620 HG21 THR 9 HG21 THR 9 19.453 8.535 22.692 621 HG22 THR 9 HG22 THR 9 18.491 7.402 21.725 622 HG23 THR 9 HG23 THR 9 20.063 7.970 21.138 623 H LYS 10 H LYS 10 17.066 8.895 24.026 624 HA LYS 10 HA LYS 10 17.323 11.204 25.752 625 HB2 LYS 10 HB2 LYS 10 17.716 8.226 26.277 626 HB3 LYS 10 HB3 LYS 10 17.596 9.457 27.536 627 HG2 LYS 10 HG2 LYS 10 15.311 10.001 26.910 628 HG3 LYS 10 HG3 LYS 10 15.358 8.871 25.544 629 HD2 LYS 10 HD2 LYS 10 15.856 7.008 27.162 630 HD3 LYS 10 HD3 LYS 10 15.600 8.138 28.498 631 HE2 LYS 10 HE2 LYS 10 13.543 7.450 26.351 632 HE3 LYS 10 HE3 LYS 10 13.629 6.676 27.936 633 HZ1 LYS 10 HZ1 LYS 10 13.130 9.572 27.503 634 HZ2 LYS 10 HZ2 LYS 10 12.012 8.477 27.951 635 HZ3 LYS 10 HZ3 LYS 10 13.236 8.851 28.958 636 H ALA 11 H ALA 11 19.010 11.495 27.367 637 HA ALA 11 HA ALA 11 21.711 11.570 26.384 638 HB1 ALA 11 HB1 ALA 11 20.640 11.781 29.235 639 HB2 ALA 11 HB2 ALA 11 22.244 12.286 28.676 640 HB3 ALA 11 HB3 ALA 11 20.789 13.126 28.077 641 H ASP 12 H ASP 12 19.909 9.125 28.188 642 HA ASP 12 HA ASP 12 22.159 7.423 28.866 643 HB2 ASP 12 HB2 ASP 12 19.147 6.987 28.743 644 HB3 ASP 12 HB3 ASP 12 20.302 5.838 29.406 645 H GLY 13 H GLY 13 20.834 8.105 25.860 646 HA2 GLY 13 HA2 GLY 13 21.383 7.151 23.802 647 HA3 GLY 13 HA3 GLY 13 21.988 5.705 24.612 648 H GLY 14 H GLY 14 18.871 6.454 25.778 649 HA2 GLY 14 HA2 GLY 14 17.630 4.190 24.387 650 HA3 GLY 14 HA3 GLY 14 16.901 5.240 25.615 651 H ARG 15 H ARG 15 16.663 4.375 22.412 652 HA ARG 15 HA ARG 15 15.937 7.002 21.314 653 HB2 ARG 15 HB2 ARG 15 17.004 5.056 20.038 654 HB3 ARG 15 HB3 ARG 15 15.390 4.315 20.020 655 HG2 ARG 15 HG2 ARG 15 14.510 6.373 18.867 656 HG3 ARG 15 HG3 ARG 15 16.127 7.089 18.967 657 HD2 ARG 15 HD2 ARG 15 15.944 6.264 16.765 658 HD3 ARG 15 HD3 ARG 15 17.004 5.148 17.617 659 HE ARG 15 HE ARG 15 14.097 4.688 16.908 660 HH11 ARG 15 HH11 ARG 15 17.166 3.148 17.695 661 HH12 ARG 15 HH12 ARG 15 16.514 1.565 17.353 662 HH21 ARG 15 HH21 ARG 15 13.394 2.798 16.531 663 HH22 ARG 15 HH22 ARG 15 14.384 1.347 16.696 664 H VAL 16 H VAL 16 13.957 7.771 20.833 665 HA VAL 16 HA VAL 16 11.503 6.359 21.800 666 HB VAL 16 HB VAL 16 12.294 9.230 22.377 667 HG11 VAL 16 HG11 VAL 16 10.157 9.382 23.650 668 HG12 VAL 16 HG12 VAL 16 9.883 9.169 21.928 669 HG13 VAL 16 HG13 VAL 16 9.700 7.784 23.036 670 HG21 VAL 16 HG21 VAL 16 12.103 8.583 24.762 671 HG22 VAL 16 HG22 VAL 16 11.815 6.898 24.276 672 HG23 VAL 16 HG23 VAL 16 13.369 7.681 23.936 673 H GLU 17 H GLU 17 9.705 6.662 20.536 674 HA GLU 17 HA GLU 17 9.866 8.438 18.166 675 HB2 GLU 17 HB2 GLU 17 9.241 5.462 18.124 676 HB3 GLU 17 HB3 GLU 17 8.965 6.558 16.763 677 HG2 GLU 17 HG2 GLU 17 11.328 7.019 16.536 678 HG3 GLU 17 HG3 GLU 17 11.716 6.092 17.992 679 H ILE 18 H ILE 18 7.921 9.093 17.285 680 HA ILE 18 HA ILE 18 5.362 8.316 18.628 681 HB ILE 18 HB ILE 18 6.166 11.160 17.935 682 HG12 ILE 18 HG12 ILE 18 5.537 10.124 20.719 683 HG13 ILE 18 HG13 ILE 18 7.185 10.182 20.102 684 HG21 ILE 18 HG21 ILE 18 3.599 10.084 19.197 685 HG22 ILE 18 HG22 ILE 18 3.967 11.795 18.892 686 HG23 ILE 18 HG23 ILE 18 3.749 10.705 17.536 687 HD11 ILE 18 HD11 ILE 18 7.059 12.592 19.754 688 HD12 ILE 18 HD12 ILE 18 5.390 12.614 20.360 689 HD13 ILE 18 HD13 ILE 18 6.706 12.138 21.438 690 H GLY 19 H GLY 19 4.012 7.551 17.130 691 HA2 GLY 19 HA2 GLY 19 4.466 8.058 14.238 692 HA3 GLY 19 HA3 GLY 19 3.412 6.850 14.945 693 H ASP 20 H ASP 20 2.522 8.247 12.853 694 HA ASP 20 HA ASP 20 0.768 9.377 12.026 695 HB2 ASP 20 HB2 ASP 20 -0.567 8.792 14.667 696 HB3 ASP 20 HB3 ASP 20 -1.321 8.996 13.088 697 H VAL 21 H VAL 21 2.657 11.136 13.067 698 HA VAL 21 HA VAL 21 1.445 13.328 14.549 699 HB VAL 21 HB VAL 21 4.085 13.067 13.077 700 HG11 VAL 21 HG11 VAL 21 3.562 15.448 13.280 701 HG12 VAL 21 HG12 VAL 21 3.176 15.240 15.003 702 HG13 VAL 21 HG13 VAL 21 4.835 14.998 14.400 703 HG21 VAL 21 HG21 VAL 21 3.361 12.880 16.038 704 HG22 VAL 21 HG22 VAL 21 3.891 11.539 14.996 705 HG23 VAL 21 HG23 VAL 21 5.009 12.840 15.381 706 H LEU 22 H LEU 22 0.389 15.063 13.803 707 HA LEU 22 HA LEU 22 0.189 15.575 10.873 708 HB2 LEU 22 HB2 LEU 22 -1.342 16.681 13.264 709 HB3 LEU 22 HB3 LEU 22 -1.557 17.221 11.596 710 HG LEU 22 HG LEU 22 -2.199 14.454 12.665 711 HD11 LEU 22 HD11 LEU 22 -3.793 16.216 13.314 712 HD12 LEU 22 HD12 LEU 22 -3.888 16.780 11.637 713 HD13 LEU 22 HD13 LEU 22 -4.533 15.191 12.068 714 HD21 LEU 22 HD21 LEU 22 -1.458 14.218 10.346 715 HD22 LEU 22 HD22 LEU 22 -3.215 14.062 10.417 716 HD23 LEU 22 HD23 LEU 22 -2.486 15.580 9.843 717 H GLU 23 H GLU 23 1.519 17.025 13.835 718 HA GLU 23 HA GLU 23 3.075 18.809 12.153 719 HB2 GLU 23 HB2 GLU 23 2.425 20.898 13.170 720 HB3 GLU 23 HB3 GLU 23 1.041 20.185 12.377 721 HG2 GLU 23 HG2 GLU 23 0.073 19.492 14.488 722 HG3 GLU 23 HG3 GLU 23 1.539 19.934 15.375 723 H VAL 24 H VAL 24 4.730 19.923 13.139 724 HA VAL 24 HA VAL 24 5.386 19.316 15.960 725 HB VAL 24 HB VAL 24 7.459 19.090 13.743 726 HG11 VAL 24 HG11 VAL 24 8.908 18.232 15.564 727 HG12 VAL 24 HG12 VAL 24 8.407 19.890 15.874 728 HG13 VAL 24 HG13 VAL 24 7.626 18.565 16.746 729 HG21 VAL 24 HG21 VAL 24 6.166 16.890 15.390 730 HG22 VAL 24 HG22 VAL 24 6.020 17.126 13.636 731 HG23 VAL 24 HG23 VAL 24 7.576 16.698 14.328 732 H ARG 25 H ARG 25 6.075 21.078 17.023 733 HA ARG 25 HA ARG 25 6.730 23.588 15.489 734 HB2 ARG 25 HB2 ARG 25 5.295 23.414 18.167 735 HB3 ARG 25 HB3 ARG 25 5.640 24.872 17.227 736 HG2 ARG 25 HG2 ARG 25 4.128 24.011 15.411 737 HG3 ARG 25 HG3 ARG 25 3.724 22.636 16.453 738 HD2 ARG 25 HD2 ARG 25 2.986 24.281 18.213 739 HD3 ARG 25 HD3 ARG 25 3.215 25.578 17.015 740 HE ARG 25 HE ARG 25 1.532 23.557 15.877 741 HH11 ARG 25 HH11 ARG 25 1.314 26.106 18.270 742 HH12 ARG 25 HH12 ARG 25 -0.429 26.153 18.173 743 HH21 ARG 25 HH21 ARG 25 -0.641 23.506 15.970 744 HH22 ARG 25 HH22 ARG 25 -1.508 24.751 16.848 745 H ALA 26 H ALA 26 8.461 24.790 16.219 746 HA ALA 26 HA ALA 26 9.989 23.763 18.574 747 HB1 ALA 26 HB1 ALA 26 11.193 23.399 16.479 748 HB2 ALA 26 HB2 ALA 26 11.022 25.112 16.053 749 HB3 ALA 26 HB3 ALA 26 12.002 24.634 17.452 750 H GLU 27 H GLU 27 10.525 25.055 20.130 751 HA GLU 27 HA GLU 27 9.926 27.988 20.067 752 HB2 GLU 27 HB2 GLU 27 10.264 26.109 22.444 753 HB3 GLU 27 HB3 GLU 27 9.927 27.849 22.508 754 HG2 GLU 27 HG2 GLU 27 7.784 27.428 21.243 755 HG3 GLU 27 HG3 GLU 27 8.088 25.697 21.377 756 H GLY 28 H GLY 28 11.578 29.093 21.760 757 HA2 GLY 28 HA2 GLY 28 14.169 29.083 20.602 758 HA3 GLY 28 HA3 GLY 28 13.707 29.848 22.116 759 H GLY 29 H GLY 29 12.937 26.906 22.995 760 HA2 GLY 29 HA2 GLY 29 15.485 25.483 23.140 761 HA3 GLY 29 HA3 GLY 29 15.014 26.220 24.671 762 H ALA 30 H ALA 30 12.740 24.800 22.303 763 HA ALA 30 HA ALA 30 12.454 22.258 23.620 764 HB1 ALA 30 HB1 ALA 30 10.169 22.587 24.489 765 HB2 ALA 30 HB2 ALA 30 11.283 23.696 25.306 766 HB3 ALA 30 HB3 ALA 30 10.210 24.291 24.017 767 H VAL 31 H VAL 31 10.682 20.950 22.646 768 HA VAL 31 HA VAL 31 9.359 22.171 20.278 769 HB VAL 31 HB VAL 31 9.480 20.248 18.891 770 HG11 VAL 31 HG11 VAL 31 11.383 21.864 18.783 771 HG12 VAL 31 HG12 VAL 31 12.296 20.777 19.847 772 HG13 VAL 31 HG13 VAL 31 11.781 20.218 18.248 773 HG21 VAL 31 HG21 VAL 31 11.128 18.878 21.033 774 HG22 VAL 31 HG22 VAL 31 9.483 18.436 20.530 775 HG23 VAL 31 HG23 VAL 31 10.807 18.292 19.382 776 H ARG 32 H ARG 32 7.441 21.187 19.571 777 HA ARG 32 HA ARG 32 5.926 19.507 21.528 778 HB2 ARG 32 HB2 ARG 32 5.007 22.095 20.206 779 HB3 ARG 32 HB3 ARG 32 3.922 20.974 21.020 780 HG2 ARG 32 HG2 ARG 32 5.031 21.321 23.159 781 HG3 ARG 32 HG3 ARG 32 6.309 22.278 22.408 782 HD2 ARG 32 HD2 ARG 32 4.832 23.781 23.499 783 HD3 ARG 32 HD3 ARG 32 4.699 24.016 21.747 784 HE ARG 32 HE ARG 32 2.647 22.187 22.508 785 HH11 ARG 32 HH11 ARG 32 3.367 25.558 23.161 786 HH12 ARG 32 HH12 ARG 32 1.683 25.925 23.444 787 HH21 ARG 32 HH21 ARG 32 0.667 22.666 22.863 788 HH22 ARG 32 HH22 ARG 32 0.128 24.306 23.259 789 H VAL 33 H VAL 33 4.620 18.032 20.649 790 HA VAL 33 HA VAL 33 4.547 17.646 17.672 791 HB VAL 33 HB VAL 33 5.092 15.575 19.841 792 HG11 VAL 33 HG11 VAL 33 4.965 15.253 16.819 793 HG12 VAL 33 HG12 VAL 33 5.556 14.027 17.959 794 HG13 VAL 33 HG13 VAL 33 3.863 14.533 18.013 795 HG21 VAL 33 HG21 VAL 33 7.321 15.343 18.868 796 HG22 VAL 33 HG22 VAL 33 6.967 16.617 17.694 797 HG23 VAL 33 HG23 VAL 33 7.086 17.001 19.419 798 H THR 34 H THR 34 2.532 17.124 16.855 799 HA THR 34 HA THR 34 0.388 16.241 18.769 800 HB THR 34 HB THR 34 0.181 18.413 16.668 801 HG1 THR 34 HG1 THR 34 1.153 19.071 18.577 802 HG21 THR 34 HG21 THR 34 -1.974 17.256 16.753 803 HG22 THR 34 HG22 THR 34 -1.970 17.303 18.535 804 HG23 THR 34 HG23 THR 34 -2.097 18.802 17.591 805 H THR 35 H THR 35 -0.960 14.669 18.108 806 HA THR 35 HA THR 35 -0.638 13.534 15.363 807 HB THR 35 HB THR 35 -1.393 11.442 16.212 808 HG1 THR 35 HG1 THR 35 -1.883 11.305 18.493 809 HG21 THR 35 HG21 THR 35 0.994 12.021 16.714 810 HG22 THR 35 HG22 THR 35 0.488 12.577 18.328 811 HG23 THR 35 HG23 THR 35 0.290 10.879 17.853 812 H LEU 36 H LEU 36 -2.609 12.421 14.437 813 HA LEU 36 HA LEU 36 -4.815 14.257 14.297 814 HB2 LEU 36 HB2 LEU 36 -5.664 12.967 12.596 815 HB3 LEU 36 HB3 LEU 36 -3.927 12.759 12.436 816 HG LEU 36 HG LEU 36 -5.882 10.723 13.621 817 HD11 LEU 36 HD11 LEU 36 -4.347 10.816 10.988 818 HD12 LEU 36 HD12 LEU 36 -5.381 9.476 11.537 819 HD13 LEU 36 HD13 LEU 36 -6.098 11.054 11.177 820 HD21 LEU 36 HD21 LEU 36 -3.925 9.169 13.442 821 HD22 LEU 36 HD22 LEU 36 -2.896 10.571 13.067 822 HD23 LEU 36 HD23 LEU 36 -3.682 10.427 14.652 823 H PHE 37 H PHE 37 -4.204 11.919 16.635 824 HA PHE 37 HA PHE 37 -7.011 11.427 17.350 825 HB2 PHE 37 HB2 PHE 37 -4.480 10.743 18.866 826 HB3 PHE 37 HB3 PHE 37 -6.094 10.096 19.145 827 HD1 PHE 37 HD1 PHE 37 -2.994 9.342 17.685 828 HD2 PHE 37 HD2 PHE 37 -7.231 8.997 16.942 829 HE1 PHE 37 HE1 PHE 37 -2.567 7.494 16.089 830 HE2 PHE 37 HE2 PHE 37 -6.798 7.154 15.338 831 HZ PHE 37 HZ PHE 37 -4.454 6.396 14.909 832 H ASP 38 H ASP 38 -5.259 14.135 17.533 833 HA ASP 38 HA ASP 38 -5.145 15.994 18.718 834 HB2 ASP 38 HB2 ASP 38 -7.595 15.122 20.265 835 HB3 ASP 38 HB3 ASP 38 -6.927 16.752 20.158 836 H GLU 39 H GLU 39 -3.900 13.410 19.752 837 HA GLU 39 HA GLU 39 -3.266 14.118 22.549 838 HB2 GLU 39 HB2 GLU 39 -2.030 12.067 20.672 839 HB3 GLU 39 HB3 GLU 39 -1.603 12.281 22.362 840 HG2 GLU 39 HG2 GLU 39 -4.302 11.370 21.268 841 HG3 GLU 39 HG3 GLU 39 -3.099 10.361 22.065 842 H GLU 40 H GLU 40 -1.260 14.855 23.252 843 HA GLU 40 HA GLU 40 0.557 16.064 21.247 844 HB2 GLU 40 HB2 GLU 40 -1.090 17.783 21.838 845 HB3 GLU 40 HB3 GLU 40 -0.710 17.563 23.558 846 HG2 GLU 40 HG2 GLU 40 1.579 18.365 23.189 847 HG3 GLU 40 HG3 GLU 40 1.282 18.492 21.446 848 H HIS 41 H HIS 41 2.636 16.182 21.791 849 HA HIS 41 HA HIS 41 3.570 15.309 24.498 850 HB2 HIS 41 HB2 HIS 41 4.881 14.569 21.859 851 HB3 HIS 41 HB3 HIS 41 5.329 14.025 23.473 852 HD2 HIS 41 HD2 HIS 41 2.824 13.396 20.641 853 HE1 HIS 41 HE1 HIS 41 2.094 10.352 23.531 854 HE2 HIS 41 HE2 HIS 41 1.548 11.150 21.181 855 H ALA 42 H ALA 42 5.488 16.334 25.220 856 HA ALA 42 HA ALA 42 6.657 18.480 23.524 857 HB1 ALA 42 HB1 ALA 42 4.828 19.520 24.809 858 HB2 ALA 42 HB2 ALA 42 5.537 18.928 26.318 859 HB3 ALA 42 HB3 ALA 42 6.404 20.129 25.331 860 H PHE 43 H PHE 43 8.732 19.017 23.942 861 HA PHE 43 HA PHE 43 10.271 17.415 25.935 862 HB2 PHE 43 HB2 PHE 43 10.842 17.582 22.971 863 HB3 PHE 43 HB3 PHE 43 11.841 16.786 24.177 864 HD1 PHE 43 HD1 PHE 43 8.922 16.496 22.006 865 HD2 PHE 43 HD2 PHE 43 10.928 14.760 25.410 866 HE1 PHE 43 HE1 PHE 43 7.557 14.443 21.763 867 HE2 PHE 43 HE2 PHE 43 9.556 12.694 25.164 868 HZ PHE 43 HZ PHE 43 7.858 12.542 23.354 869 HA PRO 44 HA PRO 44 12.115 21.601 26.068 870 HB2 PRO 44 HB2 PRO 44 13.204 21.462 28.566 871 HB3 PRO 44 HB3 PRO 44 11.463 21.780 28.282 872 HG2 PRO 44 HG2 PRO 44 12.789 19.146 28.956 873 HG3 PRO 44 HG3 PRO 44 11.331 19.876 29.696 874 HD2 PRO 44 HD2 PRO 44 11.226 17.989 27.714 875 HD3 PRO 44 HD3 PRO 44 9.996 19.279 27.844 876 H GLY 45 H GLY 45 14.128 22.203 25.531 877 HA2 GLY 45 HA2 GLY 45 16.451 22.196 25.351 878 HA3 GLY 45 HA3 GLY 45 16.533 20.596 26.085 879 H LEU 46 H LEU 46 14.268 20.497 23.569 880 HA LEU 46 HA LEU 46 16.293 19.594 21.577 881 HB2 LEU 46 HB2 LEU 46 13.338 18.943 21.728 882 HB3 LEU 46 HB3 LEU 46 14.469 18.360 20.500 883 HG LEU 46 HG LEU 46 14.392 17.625 23.455 884 HD11 LEU 46 HD11 LEU 46 13.938 15.383 22.613 885 HD12 LEU 46 HD12 LEU 46 12.778 16.500 21.888 886 HD13 LEU 46 HD13 LEU 46 14.147 15.914 20.932 887 HD21 LEU 46 HD21 LEU 46 16.763 17.730 22.842 888 HD22 LEU 46 HD22 LEU 46 16.261 16.043 22.922 889 HD23 LEU 46 HD23 LEU 46 16.449 16.839 21.336 890 H ALA 47 H ALA 47 15.933 20.057 19.383 891 HA ALA 47 HA ALA 47 13.929 22.082 18.598 892 HB1 ALA 47 HB1 ALA 47 15.615 23.161 17.106 893 HB2 ALA 47 HB2 ALA 47 15.956 23.388 18.825 894 HB3 ALA 47 HB3 ALA 47 16.891 22.197 17.892 895 H ILE 48 H ILE 48 13.501 21.984 16.237 896 HA ILE 48 HA ILE 48 13.409 19.254 15.203 897 HB ILE 48 HB ILE 48 12.742 21.882 13.834 898 HG12 ILE 48 HG12 ILE 48 10.770 19.814 14.927 899 HG13 ILE 48 HG13 ILE 48 11.302 21.198 15.876 900 HG21 ILE 48 HG21 ILE 48 12.179 18.979 13.028 901 HG22 ILE 48 HG22 ILE 48 11.511 20.396 12.194 902 HG23 ILE 48 HG23 ILE 48 13.246 20.119 12.178 903 HD11 ILE 48 HD11 ILE 48 9.245 21.833 14.897 904 HD12 ILE 48 HD12 ILE 48 10.505 22.727 14.025 905 HD13 ILE 48 HD13 ILE 48 9.737 21.303 13.282 906 H GLY 49 H GLY 49 15.102 18.252 14.314 907 HA2 GLY 49 HA2 GLY 49 17.521 19.757 13.536 908 HA3 GLY 49 HA3 GLY 49 17.350 18.003 13.711 909 H ARG 50 H ARG 50 15.819 16.976 12.059 910 HA ARG 50 HA ARG 50 16.096 18.191 9.351 911 HB2 ARG 50 HB2 ARG 50 17.207 15.460 10.077 912 HB3 ARG 50 HB3 ARG 50 17.108 16.132 8.450 913 HG2 ARG 50 HG2 ARG 50 18.580 18.055 9.268 914 HG3 ARG 50 HG3 ARG 50 18.806 17.140 10.767 915 HD2 ARG 50 HD2 ARG 50 19.741 15.243 9.409 916 HD3 ARG 50 HD3 ARG 50 19.580 16.247 7.965 917 HE ARG 50 HE ARG 50 21.322 17.708 8.736 918 HH11 ARG 50 HH11 ARG 50 20.871 15.108 11.063 919 HH12 ARG 50 HH12 ARG 50 22.395 15.437 11.835 920 HH21 ARG 50 HH21 ARG 50 23.197 18.098 9.790 921 HH22 ARG 50 HH22 ARG 50 23.679 17.084 11.131 922 H VAL 51 H VAL 51 14.674 17.623 7.898 923 HA VAL 51 HA VAL 51 12.373 15.857 8.648 924 HB VAL 51 HB VAL 51 12.387 18.420 6.988 925 HG11 VAL 51 HG11 VAL 51 10.098 16.605 7.887 926 HG12 VAL 51 HG12 VAL 51 9.888 18.222 7.184 927 HG13 VAL 51 HG13 VAL 51 10.620 16.929 6.224 928 HG21 VAL 51 HG21 VAL 51 12.722 18.910 9.384 929 HG22 VAL 51 HG22 VAL 51 11.150 19.447 8.804 930 HG23 VAL 51 HG23 VAL 51 11.272 17.963 9.789 931 H ASP 52 H ASP 52 11.884 14.289 7.263 932 HA ASP 52 HA ASP 52 12.839 14.357 4.434 933 HB2 ASP 52 HB2 ASP 52 14.526 13.182 5.796 934 HB3 ASP 52 HB3 ASP 52 13.258 12.133 6.453 935 H LEU 53 H LEU 53 10.743 14.755 3.741 936 HA LEU 53 HA LEU 53 8.468 13.161 4.645 937 HB2 LEU 53 HB2 LEU 53 8.693 15.048 2.270 938 HB3 LEU 53 HB3 LEU 53 7.223 14.464 3.024 939 HG LEU 53 HG LEU 53 9.232 16.408 4.219 940 HD11 LEU 53 HD11 LEU 53 7.323 17.942 4.163 941 HD12 LEU 53 HD12 LEU 53 7.722 17.351 2.539 942 HD13 LEU 53 HD13 LEU 53 6.307 16.699 3.409 943 HD21 LEU 53 HD21 LEU 53 8.385 15.021 6.058 944 HD22 LEU 53 HD22 LEU 53 7.601 16.608 6.105 945 HD23 LEU 53 HD23 LEU 53 6.717 15.206 5.458 946 H ARG 54 H ARG 54 10.959 12.569 2.407 947 HA ARG 54 HA ARG 54 9.464 10.833 0.542 948 HB2 ARG 54 HB2 ARG 54 11.440 11.972 -0.229 949 HB3 ARG 54 HB3 ARG 54 12.408 11.326 1.080 950 HG2 ARG 54 HG2 ARG 54 12.245 9.059 0.175 951 HG3 ARG 54 HG3 ARG 54 11.156 9.627 -1.108 952 HD2 ARG 54 HD2 ARG 54 13.482 9.348 -1.918 953 HD3 ARG 54 HD3 ARG 54 12.904 11.003 -2.067 954 HE ARG 54 HE ARG 54 14.439 11.732 -0.445 955 HH11 ARG 54 HH11 ARG 54 14.605 8.233 -0.537 956 HH12 ARG 54 HH12 ARG 54 16.027 8.195 0.470 957 HH21 ARG 54 HH21 ARG 54 16.196 11.623 0.845 958 HH22 ARG 54 HH22 ARG 54 16.913 10.072 1.228 959 H SER 55 H SER 55 11.498 10.415 3.421 960 HA SER 55 HA SER 55 10.777 7.574 3.753 961 HB2 SER 55 HB2 SER 55 12.988 8.529 4.412 962 HB3 SER 55 HB3 SER 55 12.175 9.488 5.655 963 HG SER 55 HG SER 55 12.398 6.655 5.450 964 H GLY 56 H GLY 56 9.638 10.678 4.974 965 HA2 GLY 56 HA2 GLY 56 7.567 11.170 5.966 966 HA3 GLY 56 HA3 GLY 56 7.281 9.473 6.320 967 H VAL 57 H VAL 57 10.257 11.281 7.120 968 HA VAL 57 HA VAL 57 9.799 10.704 10.025 969 HB VAL 57 HB VAL 57 12.348 10.500 8.402 970 HG11 VAL 57 HG11 VAL 57 11.939 10.137 11.404 971 HG12 VAL 57 HG12 VAL 57 13.379 9.611 10.507 972 HG13 VAL 57 HG13 VAL 57 12.997 11.327 10.599 973 HG21 VAL 57 HG21 VAL 57 10.770 8.375 9.926 974 HG22 VAL 57 HG22 VAL 57 10.816 8.557 8.162 975 HG23 VAL 57 HG23 VAL 57 12.286 8.129 9.029 976 H ILE 58 H ILE 58 10.296 12.154 11.533 977 HA ILE 58 HA ILE 58 11.719 14.684 10.785 978 HB ILE 58 HB ILE 58 9.368 14.380 12.665 979 HG12 ILE 58 HG12 ILE 58 9.655 16.142 10.182 980 HG13 ILE 58 HG13 ILE 58 8.883 14.565 10.169 981 HG21 ILE 58 HG21 ILE 58 11.005 15.920 13.684 982 HG22 ILE 58 HG22 ILE 58 11.152 16.812 12.156 983 HG23 ILE 58 HG23 ILE 58 9.643 16.845 13.076 984 HD11 ILE 58 HD11 ILE 58 7.218 15.343 11.845 985 HD12 ILE 58 HD12 ILE 58 7.890 16.985 11.689 986 HD13 ILE 58 HD13 ILE 58 7.168 16.186 10.292 987 H SER 59 H SER 59 13.667 14.572 11.639 988 HA SER 59 HA SER 59 14.202 13.023 14.120 989 HB2 SER 59 HB2 SER 59 15.510 12.486 12.113 990 HB3 SER 59 HB3 SER 59 16.077 14.162 12.004 991 HG SER 59 HG SER 59 17.258 13.891 13.848 992 H LEU 60 H LEU 60 14.366 14.017 15.977 993 HA LEU 60 HA LEU 60 14.777 16.950 16.172 994 HB2 LEU 60 HB2 LEU 60 14.165 14.918 18.322 995 HB3 LEU 60 HB3 LEU 60 14.159 16.665 18.493 996 HG LEU 60 HG LEU 60 12.224 15.064 16.738 997 HD11 LEU 60 HD11 LEU 60 11.716 14.675 19.036 998 HD12 LEU 60 HD12 LEU 60 11.942 16.376 19.457 999 HD13 LEU 60 HD13 LEU 60 10.560 15.874 18.460 1000 HD21 LEU 60 HD21 LEU 60 10.970 17.229 16.618 1001 HD22 LEU 60 HD22 LEU 60 12.372 18.038 17.372 1002 HD23 LEU 60 HD23 LEU 60 12.513 17.258 15.772 1003 H ILE 61 H ILE 61 16.345 17.905 17.474 1004 HA ILE 61 HA ILE 61 18.705 16.284 18.283 1005 HB ILE 61 HB ILE 61 20.252 17.918 17.372 1006 HG12 ILE 61 HG12 ILE 61 19.045 19.388 15.404 1007 HG13 ILE 61 HG13 ILE 61 17.791 19.424 16.650 1008 HG21 ILE 61 HG21 ILE 61 19.701 15.912 16.077 1009 HG22 ILE 61 HG22 ILE 61 18.433 16.797 15.211 1010 HG23 ILE 61 HG23 ILE 61 20.137 17.275 15.038 1011 HD11 ILE 61 HD11 ILE 61 19.374 20.413 18.247 1012 HD12 ILE 61 HD12 ILE 61 20.692 20.260 17.060 1013 HD13 ILE 61 HD13 ILE 61 19.326 21.356 16.754 1014 H GLU 62 H GLU 62 20.153 17.406 19.724 1015 HA GLU 62 HA GLU 62 18.676 18.736 21.872 1016 HB2 GLU 62 HB2 GLU 62 21.598 17.960 21.627 1017 HB3 GLU 62 HB3 GLU 62 20.852 18.672 23.059 1018 HG2 GLU 62 HG2 GLU 62 19.311 16.729 23.227 1019 HG3 GLU 62 HG3 GLU 62 20.069 16.010 21.799 1020 H GLU 63 H GLU 63 18.349 20.857 21.982 1021 HA GLU 63 HA GLU 63 19.813 22.721 20.270 1022 HB2 GLU 63 HB2 GLU 63 17.361 22.859 20.606 1023 HB3 GLU 63 HB3 GLU 63 17.606 23.171 22.313 1024 HG2 GLU 63 HG2 GLU 63 17.071 25.201 21.080 1025 HG3 GLU 63 HG3 GLU 63 18.665 25.306 21.833 1026 H GLN 64 H GLN 64 21.190 24.346 20.889 1027 HA GLN 64 HA GLN 64 22.669 23.788 23.395 1028 HB2 GLN 64 HB2 GLN 64 23.543 25.236 20.869 1029 HB3 GLN 64 HB3 GLN 64 24.575 24.791 22.233 1030 HG2 GLN 64 HG2 GLN 64 23.154 22.846 20.331 1031 HG3 GLN 64 HG3 GLN 64 24.864 23.213 20.373 1032 HE21 GLN 64 HE21 GLN 64 22.750 20.824 21.268 1033 HE22 GLN 64 HE22 GLN 64 23.678 20.172 22.617 1034 H ASN 65 H ASN 65 20.302 25.872 22.767 1035 HA ASN 65 HA ASN 65 21.403 28.408 23.592 1036 HB2 ASN 65 HB2 ASN 65 18.577 27.286 23.333 1037 HB3 ASN 65 HB3 ASN 65 18.951 28.957 23.656 1038 HD21 ASN 65 HD21 ASN 65 17.408 28.241 21.457 1039 HD22 ASN 65 HD22 ASN 65 18.350 28.557 19.995 1040 H ARG 66 H ARG 66 20.190 25.654 25.374 1041 HA ARG 66 HA ARG 66 19.706 27.122 27.896 1042 HB2 ARG 66 HB2 ARG 66 19.676 24.157 27.197 1043 HB3 ARG 66 HB3 ARG 66 19.379 24.807 28.820 1044 HG2 ARG 66 HG2 ARG 66 17.465 26.128 27.943 1045 HG3 ARG 66 HG3 ARG 66 17.696 25.401 26.343 1046 HD2 ARG 66 HD2 ARG 66 17.326 23.153 27.309 1047 HD3 ARG 66 HD3 ARG 66 17.109 23.870 28.900 1048 HE ARG 66 HE ARG 66 15.275 24.098 26.552 1049 HH11 ARG 66 HH11 ARG 66 13.228 24.542 26.859 1050 HH12 ARG 66 HH12 ARG 66 12.617 25.046 28.428 1051 HH21 ARG 66 HH21 ARG 66 15.691 24.830 29.957 1052 HH22 ARG 66 HH22 ARG 66 13.996 25.172 30.159 Start of MODEL 13 1 H1 GLY -3 H1 GLY -3 -0.394 -1.812 -7.905 2 H2 GLY -3 H2 GLY -3 0.374 -1.605 -6.474 3 H3 GLY -3 H3 GLY -3 1.227 -2.041 -7.802 4 HA2 GLY -3 HA2 GLY -3 0.739 0.082 -8.860 5 HA3 GLY -3 HA3 GLY -3 -0.178 0.534 -7.413 6 HA PRO -2 HA PRO -2 4.388 1.789 -7.040 7 HB2 PRO -2 HB2 PRO -2 4.132 4.500 -7.136 8 HB3 PRO -2 HB3 PRO -2 4.262 3.484 -8.608 9 HG2 PRO -2 HG2 PRO -2 1.729 4.534 -7.295 10 HG3 PRO -2 HG3 PRO -2 2.204 4.644 -9.025 11 HD2 PRO -2 HD2 PRO -2 0.545 2.691 -8.142 12 HD3 PRO -2 HD3 PRO -2 1.793 2.340 -9.375 13 H GLY -1 H GLY -1 5.381 2.752 -5.197 14 HA2 GLY -1 HA2 GLY -1 3.916 2.514 -2.718 15 HA3 GLY -1 HA3 GLY -1 5.589 3.039 -2.891 16 H SER 0 H SER 0 3.418 4.063 -1.162 17 HA SER 0 HA SER 0 2.553 6.650 -2.059 18 HB2 SER 0 HB2 SER 0 2.831 5.583 0.776 19 HB3 SER 0 HB3 SER 0 1.888 6.999 0.271 20 HG SER 0 HG SER 0 0.604 5.089 0.516 21 H MET 1 H MET 1 3.170 8.717 -1.369 22 HA MET 1 HA MET 1 5.513 9.209 0.276 23 HB2 MET 1 HB2 MET 1 6.739 10.522 -1.387 24 HB3 MET 1 HB3 MET 1 6.639 8.840 -1.894 25 HG2 MET 1 HG2 MET 1 4.986 9.316 -3.548 26 HG3 MET 1 HG3 MET 1 4.684 10.935 -2.911 27 HE1 MET 1 HE1 MET 1 5.931 13.034 -3.408 28 HE2 MET 1 HE2 MET 1 7.368 12.431 -2.553 29 HE3 MET 1 HE3 MET 1 7.529 13.118 -4.179 30 H CYS 2 H CYS 2 5.854 11.572 0.598 31 HA CYS 2 HA CYS 2 3.550 13.308 -0.154 32 HB2 CYS 2 HB2 CYS 2 4.973 13.315 2.524 33 HB3 CYS 2 HB3 CYS 2 3.696 14.417 2.022 34 H MET 3 H MET 3 4.050 15.571 -0.217 35 HA MET 3 HA MET 3 6.783 16.496 0.096 36 HB2 MET 3 HB2 MET 3 7.116 17.416 -2.078 37 HB3 MET 3 HB3 MET 3 6.818 15.691 -2.243 38 HG2 MET 3 HG2 MET 3 4.499 16.165 -2.940 39 HG3 MET 3 HG3 MET 3 4.796 17.904 -2.753 40 HE1 MET 3 HE1 MET 3 3.593 16.774 -5.388 41 HE2 MET 3 HE2 MET 3 4.026 18.480 -5.187 42 HE3 MET 3 HE3 MET 3 4.563 17.595 -6.630 43 H ALA 4 H ALA 4 6.920 18.845 0.042 44 HA ALA 4 HA ALA 4 4.337 20.255 0.630 45 HB1 ALA 4 HB1 ALA 4 5.257 19.408 2.721 46 HB2 ALA 4 HB2 ALA 4 6.869 20.069 2.310 47 HB3 ALA 4 HB3 ALA 4 5.531 21.162 2.674 48 H LYS 5 H LYS 5 4.896 22.647 1.170 49 HA LYS 5 HA LYS 5 7.171 23.616 -0.503 50 HB2 LYS 5 HB2 LYS 5 6.236 25.765 -0.727 51 HB3 LYS 5 HB3 LYS 5 5.050 24.588 -1.284 52 HG2 LYS 5 HG2 LYS 5 3.769 24.838 0.817 53 HG3 LYS 5 HG3 LYS 5 4.985 25.973 1.444 54 HD2 LYS 5 HD2 LYS 5 4.574 27.481 -0.485 55 HD3 LYS 5 HD3 LYS 5 3.282 26.396 -1.044 56 HE2 LYS 5 HE2 LYS 5 2.035 26.765 1.036 57 HE3 LYS 5 HE3 LYS 5 3.361 27.745 1.684 58 HZ1 LYS 5 HZ1 LYS 5 1.714 28.435 -0.692 59 HZ2 LYS 5 HZ2 LYS 5 1.653 29.176 0.762 60 HZ3 LYS 5 HZ3 LYS 5 2.998 29.314 -0.168 61 H VAL 6 H VAL 6 8.663 24.940 0.342 62 HA VAL 6 HA VAL 6 8.764 25.290 3.306 63 HB VAL 6 HB VAL 6 10.851 25.422 1.148 64 HG11 VAL 6 HG11 VAL 6 11.139 26.695 3.902 65 HG12 VAL 6 HG12 VAL 6 12.474 26.340 2.797 66 HG13 VAL 6 HG13 VAL 6 11.259 27.531 2.336 67 HG21 VAL 6 HG21 VAL 6 12.045 23.948 2.648 68 HG22 VAL 6 HG22 VAL 6 10.871 24.234 3.938 69 HG23 VAL 6 HG23 VAL 6 10.393 23.329 2.476 70 H VAL 7 H VAL 7 8.599 27.272 4.224 71 HA VAL 7 HA VAL 7 8.605 29.702 2.513 72 HB VAL 7 HB VAL 7 6.272 29.266 2.933 73 HG11 VAL 7 HG11 VAL 7 5.279 29.331 5.157 74 HG12 VAL 7 HG12 VAL 7 6.399 27.970 5.044 75 HG13 VAL 7 HG13 VAL 7 6.873 29.452 5.915 76 HG21 VAL 7 HG21 VAL 7 7.154 31.582 4.705 77 HG22 VAL 7 HG22 VAL 7 7.120 31.639 2.927 78 HG23 VAL 7 HG23 VAL 7 5.622 31.402 3.833 79 H LEU 8 H LEU 8 9.708 31.394 3.289 80 HA LEU 8 HA LEU 8 10.667 31.507 6.068 81 HB2 LEU 8 HB2 LEU 8 12.997 31.517 5.518 82 HB3 LEU 8 HB3 LEU 8 12.273 30.088 4.839 83 HG LEU 8 HG LEU 8 12.115 31.609 2.625 84 HD11 LEU 8 HD11 LEU 8 13.144 33.636 3.614 85 HD12 LEU 8 HD12 LEU 8 14.549 32.688 4.129 86 HD13 LEU 8 HD13 LEU 8 14.218 32.936 2.395 87 HD21 LEU 8 HD21 LEU 8 13.238 29.445 2.780 88 HD22 LEU 8 HD22 LEU 8 14.227 30.596 1.888 89 HD23 LEU 8 HD23 LEU 8 14.647 30.208 3.560 90 H THR 9 H THR 9 11.700 33.620 6.545 91 HA THR 9 HA THR 9 10.993 35.788 4.613 92 HB THR 9 HB THR 9 10.432 36.060 7.568 93 HG1 THR 9 HG1 THR 9 8.996 34.582 6.732 94 HG21 THR 9 HG21 THR 9 9.085 37.986 6.813 95 HG22 THR 9 HG22 THR 9 10.774 38.189 6.326 96 HG23 THR 9 HG23 THR 9 9.555 37.681 5.133 97 H LYS 10 H LYS 10 12.504 37.197 4.262 98 HA LYS 10 HA LYS 10 15.158 36.928 5.371 99 HB2 LYS 10 HB2 LYS 10 13.936 39.043 3.545 100 HB3 LYS 10 HB3 LYS 10 15.660 38.847 3.870 101 HG2 LYS 10 HG2 LYS 10 15.576 36.561 2.836 102 HG3 LYS 10 HG3 LYS 10 13.865 36.815 2.468 103 HD2 LYS 10 HD2 LYS 10 15.027 37.367 0.457 104 HD3 LYS 10 HD3 LYS 10 14.557 38.913 1.172 105 HE2 LYS 10 HE2 LYS 10 16.916 38.858 2.303 106 HE3 LYS 10 HE3 LYS 10 17.283 37.555 1.168 107 HZ1 LYS 10 HZ1 LYS 10 16.579 39.228 -0.607 108 HZ2 LYS 10 HZ2 LYS 10 16.660 40.385 0.578 109 HZ3 LYS 10 HZ3 LYS 10 17.990 39.549 0.154 110 H ALA 11 H ALA 11 16.441 38.715 6.148 111 HA ALA 11 HA ALA 11 15.444 40.218 8.389 112 HB1 ALA 11 HB1 ALA 11 17.907 40.649 6.642 113 HB2 ALA 11 HB2 ALA 11 17.647 41.301 8.273 114 HB3 ALA 11 HB3 ALA 11 17.816 39.546 8.046 115 H ASP 12 H ASP 12 15.570 40.920 4.925 116 HA ASP 12 HA ASP 12 14.982 43.727 4.976 117 HB2 ASP 12 HB2 ASP 12 14.342 41.583 2.901 118 HB3 ASP 12 HB3 ASP 12 14.354 43.322 2.644 119 H GLY 13 H GLY 13 13.029 41.097 5.947 120 HA2 GLY 13 HA2 GLY 13 10.791 40.946 6.487 121 HA3 GLY 13 HA3 GLY 13 10.484 42.556 5.832 122 H GLY 14 H GLY 14 12.228 40.605 3.601 123 HA2 GLY 14 HA2 GLY 14 9.883 40.367 1.823 124 HA3 GLY 14 HA3 GLY 14 11.562 39.995 1.435 125 H ARG 15 H ARG 15 8.623 38.555 1.719 126 HA ARG 15 HA ARG 15 9.489 36.029 2.972 127 HB2 ARG 15 HB2 ARG 15 7.134 37.053 3.079 128 HB3 ARG 15 HB3 ARG 15 6.914 36.444 1.424 129 HG2 ARG 15 HG2 ARG 15 7.444 34.129 2.251 130 HG3 ARG 15 HG3 ARG 15 7.678 34.784 3.878 131 HD2 ARG 15 HD2 ARG 15 5.524 33.881 3.899 132 HD3 ARG 15 HD3 ARG 15 5.271 35.617 3.778 133 HE ARG 15 HE ARG 15 4.957 33.584 1.575 134 HH11 ARG 15 HH11 ARG 15 4.221 36.875 2.616 135 HH12 ARG 15 HH12 ARG 15 3.158 37.116 1.248 136 HH21 ARG 15 HH21 ARG 15 3.682 33.931 0.012 137 HH22 ARG 15 HH22 ARG 15 2.825 35.460 -0.226 138 H VAL 16 H VAL 16 9.910 34.136 2.003 139 HA VAL 16 HA VAL 16 10.126 33.967 -0.971 140 HB VAL 16 HB VAL 16 12.278 33.204 1.029 141 HG11 VAL 16 HG11 VAL 16 13.641 32.631 -0.971 142 HG12 VAL 16 HG12 VAL 16 12.264 31.550 -0.759 143 HG13 VAL 16 HG13 VAL 16 12.210 32.844 -1.990 144 HG21 VAL 16 HG21 VAL 16 12.314 35.614 0.605 145 HG22 VAL 16 HG22 VAL 16 13.693 34.839 -0.176 146 HG23 VAL 16 HG23 VAL 16 12.294 35.326 -1.151 147 H GLU 17 H GLU 17 9.631 31.964 -1.814 148 HA GLU 17 HA GLU 17 8.952 29.739 0.036 149 HB2 GLU 17 HB2 GLU 17 7.123 30.896 -2.087 150 HB3 GLU 17 HB3 GLU 17 6.861 29.347 -1.267 151 HG2 GLU 17 HG2 GLU 17 6.751 30.463 0.902 152 HG3 GLU 17 HG3 GLU 17 7.039 32.038 0.164 153 H ILE 18 H ILE 18 9.058 27.680 -0.788 154 HA ILE 18 HA ILE 18 10.189 27.264 -3.533 155 HB ILE 18 HB ILE 18 11.238 25.979 -0.989 156 HG12 ILE 18 HG12 ILE 18 12.706 27.973 -2.770 157 HG13 ILE 18 HG13 ILE 18 11.946 28.391 -1.234 158 HG21 ILE 18 HG21 ILE 18 12.937 24.937 -2.442 159 HG22 ILE 18 HG22 ILE 18 11.330 24.481 -2.978 160 HG23 ILE 18 HG23 ILE 18 12.237 25.737 -3.867 161 HD11 ILE 18 HD11 ILE 18 14.296 26.532 -1.596 162 HD12 ILE 18 HD12 ILE 18 14.224 28.083 -0.763 163 HD13 ILE 18 HD13 ILE 18 13.373 26.689 -0.070 164 H GLY 19 H GLY 19 8.943 25.841 -4.593 165 HA2 GLY 19 HA2 GLY 19 6.945 24.207 -3.173 166 HA3 GLY 19 HA3 GLY 19 7.051 24.471 -4.908 167 H ASP 20 H ASP 20 6.449 22.023 -3.969 168 HA ASP 20 HA ASP 20 6.901 19.820 -4.080 169 HB2 ASP 20 HB2 ASP 20 8.861 20.611 -6.241 170 HB3 ASP 20 HB3 ASP 20 8.036 19.065 -6.068 171 H VAL 21 H VAL 21 8.337 20.917 -1.962 172 HA VAL 21 HA VAL 21 11.088 19.930 -1.899 173 HB VAL 21 HB VAL 21 9.284 21.028 0.289 174 HG11 VAL 21 HG11 VAL 21 12.258 20.399 0.357 175 HG12 VAL 21 HG12 VAL 21 11.376 21.321 1.587 176 HG13 VAL 21 HG13 VAL 21 10.992 19.626 1.341 177 HG21 VAL 21 HG21 VAL 21 11.573 22.270 -1.298 178 HG22 VAL 21 HG22 VAL 21 9.860 22.694 -1.443 179 HG23 VAL 21 HG23 VAL 21 10.720 23.036 0.061 180 H LEU 22 H LEU 22 11.770 17.950 -1.404 181 HA LEU 22 HA LEU 22 9.940 15.916 -0.211 182 HB2 LEU 22 HB2 LEU 22 12.796 15.703 -1.252 183 HB3 LEU 22 HB3 LEU 22 11.842 14.372 -0.620 184 HG LEU 22 HG LEU 22 11.277 15.928 -3.168 185 HD11 LEU 22 HD11 LEU 22 13.138 14.353 -3.346 186 HD12 LEU 22 HD12 LEU 22 12.146 13.058 -2.627 187 HD13 LEU 22 HD13 LEU 22 11.733 13.711 -4.221 188 HD21 LEU 22 HD21 LEU 22 9.726 13.625 -1.913 189 HD22 LEU 22 HD22 LEU 22 9.134 15.271 -2.186 190 HD23 LEU 22 HD23 LEU 22 9.504 14.237 -3.563 191 H GLU 23 H GLU 23 12.872 17.795 0.552 192 HA GLU 23 HA GLU 23 12.765 16.865 3.356 193 HB2 GLU 23 HB2 GLU 23 15.090 16.125 3.330 194 HB3 GLU 23 HB3 GLU 23 14.101 15.141 2.257 195 HG2 GLU 23 HG2 GLU 23 14.980 16.280 0.291 196 HG3 GLU 23 HG3 GLU 23 15.807 17.481 1.285 197 H VAL 24 H VAL 24 13.982 17.960 4.835 198 HA VAL 24 HA VAL 24 15.314 20.492 4.063 199 HB VAL 24 HB VAL 24 13.168 20.382 6.210 200 HG11 VAL 24 HG11 VAL 24 14.830 22.707 5.132 201 HG12 VAL 24 HG12 VAL 24 13.482 22.859 6.277 202 HG13 VAL 24 HG13 VAL 24 14.942 22.005 6.752 203 HG21 VAL 24 HG21 VAL 24 13.101 21.693 3.467 204 HG22 VAL 24 HG22 VAL 24 12.062 20.377 4.040 205 HG23 VAL 24 HG23 VAL 24 11.907 21.969 4.765 206 H ARG 25 H ARG 25 17.071 20.929 5.315 207 HA ARG 25 HA ARG 25 17.681 19.213 7.708 208 HB2 ARG 25 HB2 ARG 25 19.310 19.713 5.190 209 HB3 ARG 25 HB3 ARG 25 20.114 19.358 6.729 210 HG2 ARG 25 HG2 ARG 25 19.078 17.246 6.949 211 HG3 ARG 25 HG3 ARG 25 17.967 17.521 5.594 212 HD2 ARG 25 HD2 ARG 25 20.987 17.474 5.237 213 HD3 ARG 25 HD3 ARG 25 20.014 16.004 5.224 214 HE ARG 25 HE ARG 25 18.893 16.677 3.216 215 HH11 ARG 25 HH11 ARG 25 21.529 18.967 3.893 216 HH12 ARG 25 HH12 ARG 25 21.414 19.513 2.204 217 HH21 ARG 25 HH21 ARG 25 18.964 17.425 1.283 218 HH22 ARG 25 HH22 ARG 25 20.084 18.749 0.846 219 H ALA 26 H ALA 26 18.199 20.351 9.439 220 HA ALA 26 HA ALA 26 19.058 23.187 9.149 221 HB1 ALA 26 HB1 ALA 26 17.020 22.880 10.438 222 HB2 ALA 26 HB2 ALA 26 17.839 21.725 11.508 223 HB3 ALA 26 HB3 ALA 26 18.344 23.426 11.490 224 H GLU 27 H GLU 27 21.021 23.740 9.579 225 HA GLU 27 HA GLU 27 23.007 21.967 10.916 226 HB2 GLU 27 HB2 GLU 27 23.320 24.715 9.644 227 HB3 GLU 27 HB3 GLU 27 24.621 23.640 10.140 228 HG2 GLU 27 HG2 GLU 27 22.668 23.207 7.834 229 HG3 GLU 27 HG3 GLU 27 24.386 23.612 7.732 230 H GLY 28 H GLY 28 24.602 23.595 12.296 231 HA2 GLY 28 HA2 GLY 28 23.233 24.382 14.692 232 HA3 GLY 28 HA3 GLY 28 24.895 24.806 14.248 233 H GLY 29 H GLY 29 23.594 26.142 11.719 234 HA2 GLY 29 HA2 GLY 29 22.030 28.389 12.668 235 HA3 GLY 29 HA3 GLY 29 23.726 28.819 12.485 236 H ALA 30 H ALA 30 21.787 26.583 10.467 237 HA ALA 30 HA ALA 30 21.291 28.422 8.302 238 HB1 ALA 30 HB1 ALA 30 23.394 26.244 7.850 239 HB2 ALA 30 HB2 ALA 30 22.715 27.306 6.615 240 HB3 ALA 30 HB3 ALA 30 23.729 27.986 7.899 241 H VAL 31 H VAL 31 20.122 27.349 6.521 242 HA VAL 31 HA VAL 31 19.160 24.571 7.102 243 HB VAL 31 HB VAL 31 17.355 26.889 6.368 244 HG11 VAL 31 HG11 VAL 31 16.764 23.894 6.503 245 HG12 VAL 31 HG12 VAL 31 15.519 25.141 6.479 246 HG13 VAL 31 HG13 VAL 31 16.578 24.958 5.088 247 HG21 VAL 31 HG21 VAL 31 16.180 26.292 8.436 248 HG22 VAL 31 HG22 VAL 31 17.333 24.968 8.740 249 HG23 VAL 31 HG23 VAL 31 17.857 26.659 8.783 250 H ARG 32 H ARG 32 18.935 23.243 5.461 251 HA ARG 32 HA ARG 32 19.347 24.169 2.642 252 HB2 ARG 32 HB2 ARG 32 20.379 21.661 4.026 253 HB3 ARG 32 HB3 ARG 32 20.342 21.865 2.275 254 HG2 ARG 32 HG2 ARG 32 21.869 23.752 2.357 255 HG3 ARG 32 HG3 ARG 32 21.750 23.839 4.118 256 HD2 ARG 32 HD2 ARG 32 23.850 22.887 3.598 257 HD3 ARG 32 HD3 ARG 32 22.842 21.612 4.300 258 HE ARG 32 HE ARG 32 22.507 21.282 1.555 259 HH11 ARG 32 HH11 ARG 32 25.308 21.236 3.674 260 HH12 ARG 32 HH12 ARG 32 26.206 20.195 2.599 261 HH21 ARG 32 HH21 ARG 32 23.730 20.046 0.204 262 HH22 ARG 32 HH22 ARG 32 25.338 19.542 0.692 263 H VAL 33 H VAL 33 18.104 23.238 1.073 264 HA VAL 33 HA VAL 33 15.672 21.657 1.884 265 HB VAL 33 HB VAL 33 15.732 24.283 0.329 266 HG11 VAL 33 HG11 VAL 33 13.963 22.854 -0.533 267 HG12 VAL 33 HG12 VAL 33 13.407 22.495 1.110 268 HG13 VAL 33 HG13 VAL 33 13.245 24.135 0.427 269 HG21 VAL 33 HG21 VAL 33 14.416 25.225 2.165 270 HG22 VAL 33 HG22 VAL 33 14.579 23.714 3.081 271 HG23 VAL 33 HG23 VAL 33 16.009 24.723 2.726 272 H THR 34 H THR 34 15.121 20.090 0.346 273 HA THR 34 HA THR 34 16.259 20.428 -2.405 274 HB THR 34 HB THR 34 16.359 17.827 -0.877 275 HG1 THR 34 HG1 THR 34 17.881 19.395 -0.202 276 HG21 THR 34 HG21 THR 34 17.437 18.588 -3.624 277 HG22 THR 34 HG22 THR 34 17.813 17.088 -2.753 278 HG23 THR 34 HG23 THR 34 16.159 17.398 -3.272 279 H THR 35 H THR 35 15.057 19.965 -4.086 280 HA THR 35 HA THR 35 12.212 19.476 -3.663 281 HB THR 35 HB THR 35 11.928 20.131 -5.953 282 HG1 THR 35 HG1 THR 35 13.752 20.595 -7.235 283 HG21 THR 35 HG21 THR 35 12.823 22.367 -5.970 284 HG22 THR 35 HG22 THR 35 12.375 21.956 -4.302 285 HG23 THR 35 HG23 THR 35 14.084 21.941 -4.788 286 H LEU 36 H LEU 36 10.978 18.227 -5.229 287 HA LEU 36 HA LEU 36 11.372 15.491 -5.502 288 HB2 LEU 36 HB2 LEU 36 9.268 16.677 -5.772 289 HB3 LEU 36 HB3 LEU 36 9.888 17.570 -7.157 290 HG LEU 36 HG LEU 36 9.919 15.505 -8.518 291 HD11 LEU 36 HD11 LEU 36 10.202 13.795 -6.752 292 HD12 LEU 36 HD12 LEU 36 8.609 14.206 -6.086 293 HD13 LEU 36 HD13 LEU 36 8.745 13.493 -7.705 294 HD21 LEU 36 HD21 LEU 36 7.242 15.981 -7.153 295 HD22 LEU 36 HD22 LEU 36 7.923 16.992 -8.441 296 HD23 LEU 36 HD23 LEU 36 7.511 15.302 -8.770 297 H PHE 37 H PHE 37 12.805 18.011 -7.456 298 HA PHE 37 HA PHE 37 13.780 16.076 -9.499 299 HB2 PHE 37 HB2 PHE 37 13.687 19.109 -9.613 300 HB3 PHE 37 HB3 PHE 37 14.085 18.014 -10.924 301 HD1 PHE 37 HD1 PHE 37 11.393 19.696 -9.179 302 HD2 PHE 37 HD2 PHE 37 12.291 16.277 -11.647 303 HE1 PHE 37 HE1 PHE 37 8.969 19.399 -9.651 304 HE2 PHE 37 HE2 PHE 37 9.869 15.977 -12.112 305 HZ PHE 37 HZ PHE 37 8.207 17.516 -11.101 306 H ASP 38 H ASP 38 14.887 16.646 -6.699 307 HA ASP 38 HA ASP 38 16.823 16.612 -5.620 308 HB2 ASP 38 HB2 ASP 38 18.164 15.867 -8.226 309 HB3 ASP 38 HB3 ASP 38 18.776 15.589 -6.599 310 H GLU 39 H GLU 39 16.048 19.210 -7.064 311 HA GLU 39 HA GLU 39 18.634 20.615 -7.264 312 HB2 GLU 39 HB2 GLU 39 15.796 21.723 -7.276 313 HB3 GLU 39 HB3 GLU 39 17.294 22.608 -7.609 314 HG2 GLU 39 HG2 GLU 39 17.731 20.946 -9.488 315 HG3 GLU 39 HG3 GLU 39 16.077 20.367 -9.267 316 H GLU 40 H GLU 40 19.742 21.204 -5.490 317 HA GLU 40 HA GLU 40 18.334 21.515 -2.906 318 HB2 GLU 40 HB2 GLU 40 20.230 20.006 -2.983 319 HB3 GLU 40 HB3 GLU 40 21.301 21.335 -3.463 320 HG2 GLU 40 HG2 GLU 40 20.978 22.459 -1.345 321 HG3 GLU 40 HG3 GLU 40 19.641 21.395 -0.900 322 H HIS 41 H HIS 41 18.300 23.310 -1.731 323 HA HIS 41 HA HIS 41 19.556 25.858 -2.681 324 HB2 HIS 41 HB2 HIS 41 16.881 25.586 -1.250 325 HB3 HIS 41 HB3 HIS 41 17.590 27.041 -1.935 326 HD2 HIS 41 HD2 HIS 41 15.520 23.971 -2.826 327 HE1 HIS 41 HE1 HIS 41 16.026 26.102 -6.487 328 HE2 HIS 41 HE2 HIS 41 14.802 24.172 -5.359 329 H ALA 42 H ALA 42 20.259 27.267 -0.958 330 HA ALA 42 HA ALA 42 20.335 26.124 1.785 331 HB1 ALA 42 HB1 ALA 42 22.759 26.344 1.894 332 HB2 ALA 42 HB2 ALA 42 22.312 25.263 0.558 333 HB3 ALA 42 HB3 ALA 42 22.815 26.938 0.221 334 H PHE 43 H PHE 43 20.365 27.549 3.398 335 HA PHE 43 HA PHE 43 20.552 30.479 2.853 336 HB2 PHE 43 HB2 PHE 43 18.301 29.064 4.297 337 HB3 PHE 43 HB3 PHE 43 18.467 30.804 4.050 338 HD1 PHE 43 HD1 PHE 43 17.425 27.618 2.594 339 HD2 PHE 43 HD2 PHE 43 18.256 31.758 1.716 340 HE1 PHE 43 HE1 PHE 43 16.277 27.385 0.410 341 HE2 PHE 43 HE2 PHE 43 17.105 31.515 -0.473 342 HZ PHE 43 HZ PHE 43 16.131 29.339 -1.136 343 HA PRO 44 HA PRO 44 22.730 29.908 6.845 344 HB2 PRO 44 HB2 PRO 44 24.110 32.254 6.910 345 HB3 PRO 44 HB3 PRO 44 24.590 30.873 5.874 346 HG2 PRO 44 HG2 PRO 44 22.974 33.323 5.076 347 HG3 PRO 44 HG3 PRO 44 24.383 32.624 4.231 348 HD2 PRO 44 HD2 PRO 44 21.821 32.066 3.492 349 HD3 PRO 44 HD3 PRO 44 23.117 30.830 3.386 350 H GLY 45 H GLY 45 22.342 30.681 8.897 351 HA2 GLY 45 HA2 GLY 45 21.583 32.045 10.603 352 HA3 GLY 45 HA3 GLY 45 21.032 33.239 9.419 353 H LEU 46 H LEU 46 19.791 30.066 8.851 354 HA LEU 46 HA LEU 46 17.198 30.753 10.162 355 HB2 LEU 46 HB2 LEU 46 17.740 29.009 7.738 356 HB3 LEU 46 HB3 LEU 46 16.161 29.251 8.493 357 HG LEU 46 HG LEU 46 17.824 31.338 7.042 358 HD11 LEU 46 HD11 LEU 46 15.067 30.188 6.453 359 HD12 LEU 46 HD12 LEU 46 16.022 31.289 5.429 360 HD13 LEU 46 HD13 LEU 46 16.565 29.625 5.697 361 HD21 LEU 46 HD21 LEU 46 16.661 32.496 8.848 362 HD22 LEU 46 HD22 LEU 46 15.822 32.833 7.333 363 HD23 LEU 46 HD23 LEU 46 15.146 31.647 8.473 364 H ALA 47 H ALA 47 15.894 29.035 10.902 365 HA ALA 47 HA ALA 47 16.978 26.324 11.147 366 HB1 ALA 47 HB1 ALA 47 16.319 26.148 13.550 367 HB2 ALA 47 HB2 ALA 47 17.651 27.272 13.296 368 HB3 ALA 47 HB3 ALA 47 16.005 27.897 13.578 369 H ILE 48 H ILE 48 15.189 24.778 11.742 370 HA ILE 48 HA ILE 48 12.747 25.438 10.279 371 HB ILE 48 HB ILE 48 13.537 22.934 11.796 372 HG12 ILE 48 HG12 ILE 48 13.412 23.186 8.777 373 HG13 ILE 48 HG13 ILE 48 14.865 23.654 9.634 374 HG21 ILE 48 HG21 ILE 48 11.097 23.036 11.633 375 HG22 ILE 48 HG22 ILE 48 11.195 23.485 9.917 376 HG23 ILE 48 HG23 ILE 48 11.676 21.871 10.449 377 HD11 ILE 48 HD11 ILE 48 13.607 20.889 9.679 378 HD12 ILE 48 HD12 ILE 48 15.126 21.364 8.924 379 HD13 ILE 48 HD13 ILE 48 14.985 21.382 10.691 380 H GLY 49 H GLY 49 10.961 26.319 11.117 381 HA2 GLY 49 HA2 GLY 49 10.714 26.717 14.050 382 HA3 GLY 49 HA3 GLY 49 9.891 27.605 12.764 383 H ARG 50 H ARG 50 8.721 25.561 11.286 384 HA ARG 50 HA ARG 50 7.236 23.748 13.073 385 HB2 ARG 50 HB2 ARG 50 5.946 25.817 13.297 386 HB3 ARG 50 HB3 ARG 50 5.777 25.943 11.547 387 HG2 ARG 50 HG2 ARG 50 4.372 23.957 11.461 388 HG3 ARG 50 HG3 ARG 50 4.673 23.619 13.179 389 HD2 ARG 50 HD2 ARG 50 3.469 25.594 13.860 390 HD3 ARG 50 HD3 ARG 50 3.323 26.159 12.198 391 HE ARG 50 HE ARG 50 1.766 23.969 13.492 392 HH11 ARG 50 HH11 ARG 50 2.516 25.512 10.402 393 HH12 ARG 50 HH12 ARG 50 1.147 24.708 9.642 394 HH21 ARG 50 HH21 ARG 50 -0.023 23.163 12.401 395 HH22 ARG 50 HH22 ARG 50 -0.133 23.474 10.669 396 H VAL 51 H VAL 51 6.333 22.030 12.088 397 HA VAL 51 HA VAL 51 6.669 21.678 9.128 398 HB VAL 51 HB VAL 51 7.229 19.586 11.270 399 HG11 VAL 51 HG11 VAL 51 8.153 18.281 9.341 400 HG12 VAL 51 HG12 VAL 51 6.411 18.538 9.249 401 HG13 VAL 51 HG13 VAL 51 7.507 19.510 8.248 402 HG21 VAL 51 HG21 VAL 51 9.572 19.729 10.642 403 HG22 VAL 51 HG22 VAL 51 9.212 21.066 9.498 404 HG23 VAL 51 HG23 VAL 51 9.018 21.279 11.245 405 H ASP 52 H ASP 52 4.834 21.005 8.185 406 HA ASP 52 HA ASP 52 2.561 20.059 9.887 407 HB2 ASP 52 HB2 ASP 52 2.639 22.502 9.633 408 HB3 ASP 52 HB3 ASP 52 2.638 22.337 7.883 409 H LEU 53 H LEU 53 2.283 18.027 9.177 410 HA LEU 53 HA LEU 53 2.491 17.235 6.371 411 HB2 LEU 53 HB2 LEU 53 1.386 15.699 8.759 412 HB3 LEU 53 HB3 LEU 53 1.804 15.058 7.179 413 HG LEU 53 HG LEU 53 3.431 14.315 8.612 414 HD11 LEU 53 HD11 LEU 53 4.682 16.689 7.183 415 HD12 LEU 53 HD12 LEU 53 5.516 15.223 7.725 416 HD13 LEU 53 HD13 LEU 53 4.279 15.118 6.452 417 HD21 LEU 53 HD21 LEU 53 4.112 17.097 9.610 418 HD22 LEU 53 HD22 LEU 53 3.163 15.889 10.489 419 HD23 LEU 53 HD23 LEU 53 4.846 15.562 10.089 420 H ARG 54 H ARG 54 -0.025 18.173 8.607 421 HA ARG 54 HA ARG 54 -2.337 17.223 7.162 422 HB2 ARG 54 HB2 ARG 54 -2.511 17.579 9.471 423 HB3 ARG 54 HB3 ARG 54 -1.814 19.202 9.390 424 HG2 ARG 54 HG2 ARG 54 -3.809 20.139 8.446 425 HG3 ARG 54 HG3 ARG 54 -4.499 18.533 8.158 426 HD2 ARG 54 HD2 ARG 54 -5.513 19.665 10.119 427 HD3 ARG 54 HD3 ARG 54 -4.740 18.121 10.516 428 HE ARG 54 HE ARG 54 -2.920 20.350 10.948 429 HH11 ARG 54 HH11 ARG 54 -5.683 18.820 12.434 430 HH12 ARG 54 HH12 ARG 54 -5.230 19.340 14.040 431 HH21 ARG 54 HH21 ARG 54 -2.361 20.972 13.088 432 HH22 ARG 54 HH22 ARG 54 -3.440 20.512 14.363 433 H SER 55 H SER 55 -0.668 20.377 7.153 434 HA SER 55 HA SER 55 -2.366 21.285 4.878 435 HB2 SER 55 HB2 SER 55 -1.826 22.709 6.911 436 HB3 SER 55 HB3 SER 55 -0.176 22.836 6.280 437 HG SER 55 HG SER 55 -1.032 23.782 4.376 438 H GLY 56 H GLY 56 0.864 19.993 5.349 439 HA2 GLY 56 HA2 GLY 56 2.418 19.328 3.764 440 HA3 GLY 56 HA3 GLY 56 1.436 20.018 2.477 441 H VAL 57 H VAL 57 3.098 21.358 5.392 442 HA VAL 57 HA VAL 57 4.625 23.292 3.701 443 HB VAL 57 HB VAL 57 2.822 24.116 6.002 444 HG11 VAL 57 HG11 VAL 57 4.743 25.779 4.303 445 HG12 VAL 57 HG12 VAL 57 3.500 26.456 5.378 446 HG13 VAL 57 HG13 VAL 57 4.805 25.513 6.069 447 HG21 VAL 57 HG21 VAL 57 2.679 24.777 3.034 448 HG22 VAL 57 HG22 VAL 57 1.527 23.785 3.950 449 HG23 VAL 57 HG23 VAL 57 1.667 25.499 4.302 450 H ILE 58 H ILE 58 6.597 23.914 4.503 451 HA ILE 58 HA ILE 58 7.190 23.400 7.392 452 HB ILE 58 HB ILE 58 9.170 23.214 5.090 453 HG12 ILE 58 HG12 ILE 58 9.518 20.956 6.627 454 HG13 ILE 58 HG13 ILE 58 7.785 21.196 6.822 455 HG21 ILE 58 HG21 ILE 58 9.650 23.182 8.092 456 HG22 ILE 58 HG22 ILE 58 10.867 22.779 6.862 457 HG23 ILE 58 HG23 ILE 58 10.227 24.410 6.939 458 HD11 ILE 58 HD11 ILE 58 9.285 20.969 4.173 459 HD12 ILE 58 HD12 ILE 58 8.305 19.707 4.938 460 HD13 ILE 58 HD13 ILE 58 7.533 21.190 4.343 461 H SER 59 H SER 59 7.590 25.165 8.515 462 HA SER 59 HA SER 59 8.051 27.770 7.104 463 HB2 SER 59 HB2 SER 59 5.963 27.663 8.386 464 HB3 SER 59 HB3 SER 59 6.876 27.226 9.846 465 HG SER 59 HG SER 59 6.393 29.500 9.691 466 H LEU 60 H LEU 60 9.981 28.689 7.338 467 HA LEU 60 HA LEU 60 11.870 27.739 9.448 468 HB2 LEU 60 HB2 LEU 60 12.506 29.368 6.989 469 HB3 LEU 60 HB3 LEU 60 13.642 28.593 8.082 470 HG LEU 60 HG LEU 60 11.748 27.196 6.138 471 HD11 LEU 60 HD11 LEU 60 13.850 26.498 5.042 472 HD12 LEU 60 HD12 LEU 60 13.693 28.254 5.083 473 HD13 LEU 60 HD13 LEU 60 14.779 27.458 6.226 474 HD21 LEU 60 HD21 LEU 60 11.989 25.768 8.106 475 HD22 LEU 60 HD22 LEU 60 12.933 25.107 6.774 476 HD23 LEU 60 HD23 LEU 60 13.754 25.984 8.085 477 H ILE 61 H ILE 61 13.085 29.189 10.645 478 HA ILE 61 HA ILE 61 12.145 32.018 10.838 479 HB ILE 61 HB ILE 61 12.058 31.919 13.248 480 HG12 ILE 61 HG12 ILE 61 11.870 29.311 14.107 481 HG13 ILE 61 HG13 ILE 61 13.150 29.174 12.897 482 HG21 ILE 61 HG21 ILE 61 10.296 29.753 12.065 483 HG22 ILE 61 HG22 ILE 61 9.994 30.699 13.536 484 HG23 ILE 61 HG23 ILE 61 10.008 31.505 11.966 485 HD11 ILE 61 HD11 ILE 61 13.173 31.110 15.247 486 HD12 ILE 61 HD12 ILE 61 14.022 29.555 15.172 487 HD13 ILE 61 HD13 ILE 61 14.481 30.876 14.078 488 H GLU 62 H GLU 62 13.592 33.415 11.968 489 HA GLU 62 HA GLU 62 16.334 33.032 11.135 490 HB2 GLU 62 HB2 GLU 62 15.208 35.271 12.860 491 HB3 GLU 62 HB3 GLU 62 16.712 35.250 11.959 492 HG2 GLU 62 HG2 GLU 62 15.534 36.413 10.436 493 HG3 GLU 62 HG3 GLU 62 15.047 34.832 9.870 494 H GLU 63 H GLU 63 17.857 31.956 12.198 495 HA GLU 63 HA GLU 63 17.532 31.311 15.046 496 HB2 GLU 63 HB2 GLU 63 18.095 29.557 13.423 497 HB3 GLU 63 HB3 GLU 63 19.587 30.402 13.010 498 HG2 GLU 63 HG2 GLU 63 20.021 28.514 14.493 499 HG3 GLU 63 HG3 GLU 63 20.482 30.033 15.235 500 H GLN 64 H GLN 64 18.895 31.872 16.671 501 HA GLN 64 HA GLN 64 20.388 34.412 16.213 502 HB2 GLN 64 HB2 GLN 64 19.221 33.312 18.784 503 HB3 GLN 64 HB3 GLN 64 19.869 34.934 18.514 504 HG2 GLN 64 HG2 GLN 64 17.342 33.759 17.251 505 HG3 GLN 64 HG3 GLN 64 17.427 34.989 18.502 506 HE21 GLN 64 HE21 GLN 64 16.653 34.768 15.328 507 HE22 GLN 64 HE22 GLN 64 17.243 36.347 14.816 508 H ASN 65 H ASN 65 21.358 31.365 16.275 509 HA ASN 65 HA ASN 65 23.412 31.281 18.260 510 HB2 ASN 65 HB2 ASN 65 22.918 29.719 15.683 511 HB3 ASN 65 HB3 ASN 65 24.061 29.269 16.926 512 HD21 ASN 65 HD21 ASN 65 22.230 27.421 16.223 513 HD22 ASN 65 HD22 ASN 65 21.014 27.258 17.502 514 H ARG 66 H ARG 66 23.314 32.828 15.177 515 HA ARG 66 HA ARG 66 26.133 32.635 14.464 516 HB2 ARG 66 HB2 ARG 66 24.004 34.570 13.460 517 HB3 ARG 66 HB3 ARG 66 25.568 34.262 12.706 518 HG2 ARG 66 HG2 ARG 66 23.243 32.306 12.948 519 HG3 ARG 66 HG3 ARG 66 23.771 33.128 11.491 520 HD2 ARG 66 HD2 ARG 66 25.457 31.106 13.045 521 HD3 ARG 66 HD3 ARG 66 24.459 30.735 11.655 522 HE ARG 66 HE ARG 66 26.838 32.541 11.591 523 HH11 ARG 66 HH11 ARG 66 27.598 31.603 8.387 524 HH12 ARG 66 HH12 ARG 66 28.074 32.551 9.773 525 HH21 ARG 66 HH21 ARG 66 25.814 30.355 8.423 526 HH22 ARG 66 HH22 ARG 66 24.750 30.325 9.809 527 H1 GLY -3 H1 GLY -3 -14.605 2.970 5.785 528 H2 GLY -3 H2 GLY -3 -14.377 4.292 4.844 529 H3 GLY -3 H3 GLY -3 -14.401 4.440 6.477 530 HA2 GLY -3 HA2 GLY -3 -12.380 3.134 6.689 531 HA3 GLY -3 HA3 GLY -3 -12.358 2.973 4.927 532 HA PRO -2 HA PRO -2 -10.868 7.392 6.492 533 HB2 PRO -2 HB2 PRO -2 -8.498 6.077 7.819 534 HB3 PRO -2 HB3 PRO -2 -9.327 7.607 8.241 535 HG2 PRO -2 HG2 PRO -2 -9.817 5.384 9.683 536 HG3 PRO -2 HG3 PRO -2 -11.191 6.418 9.181 537 HD2 PRO -2 HD2 PRO -2 -10.202 3.860 7.869 538 HD3 PRO -2 HD3 PRO -2 -11.869 4.338 8.290 539 H GLY -1 H GLY -1 -9.150 8.596 5.513 540 HA2 GLY -1 HA2 GLY -1 -6.906 7.539 4.144 541 HA3 GLY -1 HA3 GLY -1 -8.226 7.662 2.995 542 H SER 0 H SER 0 -6.534 9.116 2.042 543 HA SER 0 HA SER 0 -5.769 11.118 1.363 544 HB2 SER 0 HB2 SER 0 -8.259 11.555 1.341 545 HB3 SER 0 HB3 SER 0 -8.049 12.417 2.869 546 HG SER 0 HG SER 0 -7.093 13.059 0.282 547 H MET 1 H MET 1 -5.423 13.593 2.327 548 HA MET 1 HA MET 1 -3.836 14.844 3.366 549 HB2 MET 1 HB2 MET 1 -4.419 13.256 5.867 550 HB3 MET 1 HB3 MET 1 -3.723 14.882 5.741 551 HG2 MET 1 HG2 MET 1 -5.920 15.551 4.564 552 HG3 MET 1 HG3 MET 1 -6.567 14.034 5.177 553 HE1 MET 1 HE1 MET 1 -4.749 14.068 8.050 554 HE2 MET 1 HE2 MET 1 -6.082 14.585 9.106 555 HE3 MET 1 HE3 MET 1 -6.366 13.393 7.802 556 H CYS 2 H CYS 2 -1.837 14.637 5.083 557 HA CYS 2 HA CYS 2 -0.296 12.162 4.534 558 HB2 CYS 2 HB2 CYS 2 0.627 14.047 3.176 559 HB3 CYS 2 HB3 CYS 2 0.884 14.950 4.665 560 H MET 3 H MET 3 1.115 11.546 6.228 561 HA MET 3 HA MET 3 1.106 12.892 8.818 562 HB2 MET 3 HB2 MET 3 0.210 11.002 10.082 563 HB3 MET 3 HB3 MET 3 -0.993 11.628 8.948 564 HG2 MET 3 HG2 MET 3 -0.224 9.752 7.342 565 HG3 MET 3 HG3 MET 3 0.613 9.053 8.728 566 HE1 MET 3 HE1 MET 3 -1.441 9.582 11.172 567 HE2 MET 3 HE2 MET 3 -2.333 8.045 11.102 568 HE3 MET 3 HE3 MET 3 -0.586 8.051 10.839 569 H ALA 4 H ALA 4 2.685 11.972 10.271 570 HA ALA 4 HA ALA 4 4.810 10.306 8.984 571 HB1 ALA 4 HB1 ALA 4 5.098 13.136 10.101 572 HB2 ALA 4 HB2 ALA 4 6.432 12.127 9.503 573 HB3 ALA 4 HB3 ALA 4 5.185 12.675 8.378 574 H LYS 5 H LYS 5 6.764 10.244 10.653 575 HA LYS 5 HA LYS 5 5.754 10.157 13.457 576 HB2 LYS 5 HB2 LYS 5 7.106 8.287 14.010 577 HB3 LYS 5 HB3 LYS 5 6.056 7.855 12.672 578 HG2 LYS 5 HG2 LYS 5 7.934 7.986 11.098 579 HG3 LYS 5 HG3 LYS 5 9.000 8.614 12.364 580 HD2 LYS 5 HD2 LYS 5 8.674 6.522 13.670 581 HD3 LYS 5 HD3 LYS 5 7.683 5.860 12.361 582 HE2 LYS 5 HE2 LYS 5 9.599 5.990 10.818 583 HE3 LYS 5 HE3 LYS 5 10.566 6.804 12.054 584 HZ1 LYS 5 HZ1 LYS 5 11.079 4.433 11.990 585 HZ2 LYS 5 HZ2 LYS 5 10.393 4.810 13.427 586 HZ3 LYS 5 HZ3 LYS 5 9.520 4.030 12.273 587 H VAL 6 H VAL 6 7.119 10.743 15.084 588 HA VAL 6 HA VAL 6 9.491 12.428 14.333 589 HB VAL 6 HB VAL 6 7.706 12.426 16.760 590 HG11 VAL 6 HG11 VAL 6 9.956 12.616 17.705 591 HG12 VAL 6 HG12 VAL 6 10.389 13.841 16.475 592 HG13 VAL 6 HG13 VAL 6 9.175 14.188 17.721 593 HG21 VAL 6 HG21 VAL 6 7.097 13.791 14.730 594 HG22 VAL 6 HG22 VAL 6 7.412 14.772 16.172 595 HG23 VAL 6 HG23 VAL 6 8.644 14.642 14.894 596 H VAL 7 H VAL 7 11.507 11.992 15.099 597 HA VAL 7 HA VAL 7 11.858 9.778 17.048 598 HB VAL 7 HB VAL 7 12.312 8.762 14.916 599 HG11 VAL 7 HG11 VAL 7 14.457 10.862 14.430 600 HG12 VAL 7 HG12 VAL 7 14.125 9.436 13.436 601 HG13 VAL 7 HG13 VAL 7 12.917 10.716 13.551 602 HG21 VAL 7 HG21 VAL 7 14.993 9.299 16.265 603 HG22 VAL 7 HG22 VAL 7 13.771 8.182 16.897 604 HG23 VAL 7 HG23 VAL 7 14.513 7.875 15.325 605 H LEU 8 H LEU 8 13.291 10.088 18.604 606 HA LEU 8 HA LEU 8 15.328 12.200 18.504 607 HB2 LEU 8 HB2 LEU 8 14.559 13.390 20.452 608 HB3 LEU 8 HB3 LEU 8 13.277 13.341 19.255 609 HG LEU 8 HG LEU 8 12.488 11.207 20.701 610 HD11 LEU 8 HD11 LEU 8 13.914 13.016 22.721 611 HD12 LEU 8 HD12 LEU 8 12.766 11.720 23.135 612 HD13 LEU 8 HD13 LEU 8 14.308 11.319 22.378 613 HD21 LEU 8 HD21 LEU 8 11.120 13.162 20.209 614 HD22 LEU 8 HD22 LEU 8 10.955 12.680 21.899 615 HD23 LEU 8 HD23 LEU 8 11.949 14.085 21.488 616 H THR 9 H THR 9 16.817 12.064 20.362 617 HA THR 9 HA THR 9 16.703 9.521 21.897 618 HB THR 9 HB THR 9 19.242 10.495 20.543 619 HG1 THR 9 HG1 THR 9 17.854 9.573 19.050 620 HG21 THR 9 HG21 THR 9 20.147 8.302 21.260 621 HG22 THR 9 HG22 THR 9 19.682 9.276 22.652 622 HG23 THR 9 HG23 THR 9 18.629 7.949 22.109 623 H LYS 10 H LYS 10 16.998 9.795 23.975 624 HA LYS 10 HA LYS 10 17.220 12.399 25.173 625 HB2 LYS 10 HB2 LYS 10 17.425 9.603 26.373 626 HB3 LYS 10 HB3 LYS 10 17.263 11.093 27.301 627 HG2 LYS 10 HG2 LYS 10 15.089 11.543 26.146 628 HG3 LYS 10 HG3 LYS 10 15.172 9.927 25.425 629 HD2 LYS 10 HD2 LYS 10 15.332 10.502 28.414 630 HD3 LYS 10 HD3 LYS 10 13.821 10.107 27.571 631 HE2 LYS 10 HE2 LYS 10 14.544 7.897 27.079 632 HE3 LYS 10 HE3 LYS 10 16.222 8.251 27.510 633 HZ1 LYS 10 HZ1 LYS 10 15.550 8.567 29.799 634 HZ2 LYS 10 HZ2 LYS 10 13.979 8.252 29.442 635 HZ3 LYS 10 HZ3 LYS 10 15.107 7.071 29.305 636 H ALA 11 H ALA 11 18.657 13.027 26.870 637 HA ALA 11 HA ALA 11 21.493 12.791 26.488 638 HB1 ALA 11 HB1 ALA 11 19.848 13.542 28.951 639 HB2 ALA 11 HB2 ALA 11 21.573 13.868 28.722 640 HB3 ALA 11 HB3 ALA 11 20.382 14.669 27.675 641 H ASP 12 H ASP 12 19.161 10.841 28.282 642 HA ASP 12 HA ASP 12 20.941 9.154 29.755 643 HB2 ASP 12 HB2 ASP 12 18.193 8.543 28.597 644 HB3 ASP 12 HB3 ASP 12 18.991 7.713 29.917 645 H GLY 13 H GLY 13 20.479 9.372 26.351 646 HA2 GLY 13 HA2 GLY 13 21.312 8.072 24.627 647 HA3 GLY 13 HA3 GLY 13 21.730 6.780 25.749 648 H GLY 14 H GLY 14 18.497 7.787 26.273 649 HA2 GLY 14 HA2 GLY 14 17.447 5.274 25.174 650 HA3 GLY 14 HA3 GLY 14 16.564 6.486 26.090 651 H ARG 15 H ARG 15 16.819 5.100 23.083 652 HA ARG 15 HA ARG 15 16.024 7.408 21.437 653 HB2 ARG 15 HB2 ARG 15 17.346 5.596 20.485 654 HB3 ARG 15 HB3 ARG 15 16.080 4.418 20.870 655 HG2 ARG 15 HG2 ARG 15 14.554 5.386 19.276 656 HG3 ARG 15 HG3 ARG 15 15.616 6.781 19.001 657 HD2 ARG 15 HD2 ARG 15 17.324 5.407 18.014 658 HD3 ARG 15 HD3 ARG 15 16.482 3.915 18.469 659 HE ARG 15 HE ARG 15 14.602 5.108 16.897 660 HH11 ARG 15 HH11 ARG 15 17.985 4.436 16.216 661 HH12 ARG 15 HH12 ARG 15 17.656 4.187 14.521 662 HH21 ARG 15 HH21 ARG 15 14.268 4.769 14.850 663 HH22 ARG 15 HH22 ARG 15 15.581 4.378 13.734 664 H VAL 16 H VAL 16 14.051 8.035 20.862 665 HA VAL 16 HA VAL 16 11.628 6.592 21.839 666 HB VAL 16 HB VAL 16 12.285 9.516 22.289 667 HG11 VAL 16 HG11 VAL 16 9.715 8.022 22.957 668 HG12 VAL 16 HG12 VAL 16 10.124 9.669 23.467 669 HG13 VAL 16 HG13 VAL 16 9.896 9.327 21.756 670 HG21 VAL 16 HG21 VAL 16 13.363 8.116 23.967 671 HG22 VAL 16 HG22 VAL 16 12.002 8.967 24.695 672 HG23 VAL 16 HG23 VAL 16 11.840 7.247 24.270 673 H GLU 17 H GLU 17 9.904 6.677 20.481 674 HA GLU 17 HA GLU 17 9.961 8.528 18.153 675 HB2 GLU 17 HB2 GLU 17 9.535 5.521 17.931 676 HB3 GLU 17 HB3 GLU 17 9.209 6.699 16.655 677 HG2 GLU 17 HG2 GLU 17 11.584 7.432 16.750 678 HG3 GLU 17 HG3 GLU 17 11.932 6.177 17.930 679 H ILE 18 H ILE 18 8.000 9.091 17.280 680 HA ILE 18 HA ILE 18 5.534 8.376 18.843 681 HB ILE 18 HB ILE 18 6.289 11.148 17.901 682 HG12 ILE 18 HG12 ILE 18 6.189 10.171 20.780 683 HG13 ILE 18 HG13 ILE 18 7.691 10.377 19.878 684 HG21 ILE 18 HG21 ILE 18 3.842 10.705 17.894 685 HG22 ILE 18 HG22 ILE 18 3.944 10.229 19.602 686 HG23 ILE 18 HG23 ILE 18 4.294 11.901 19.101 687 HD11 ILE 18 HD11 ILE 18 7.440 12.311 21.165 688 HD12 ILE 18 HD12 ILE 18 7.126 12.773 19.481 689 HD13 ILE 18 HD13 ILE 18 5.773 12.583 20.630 690 H GLY 19 H GLY 19 4.088 7.507 17.511 691 HA2 GLY 19 HA2 GLY 19 4.297 7.818 14.591 692 HA3 GLY 19 HA3 GLY 19 3.251 6.720 15.472 693 H ASP 20 H ASP 20 2.269 7.955 13.339 694 HA ASP 20 HA ASP 20 0.541 9.125 12.528 695 HB2 ASP 20 HB2 ASP 20 -0.664 8.841 15.297 696 HB3 ASP 20 HB3 ASP 20 -1.516 8.979 13.763 697 H VAL 21 H VAL 21 2.570 10.884 13.246 698 HA VAL 21 HA VAL 21 1.494 13.214 14.628 699 HB VAL 21 HB VAL 21 4.051 12.802 13.051 700 HG11 VAL 21 HG11 VAL 21 4.858 14.840 14.207 701 HG12 VAL 21 HG12 VAL 21 3.560 15.193 13.073 702 HG13 VAL 21 HG13 VAL 21 3.219 15.129 14.824 703 HG21 VAL 21 HG21 VAL 21 5.082 12.742 15.332 704 HG22 VAL 21 HG22 VAL 21 3.463 12.844 16.045 705 HG23 VAL 21 HG23 VAL 21 3.940 11.429 15.094 706 H LEU 22 H LEU 22 0.474 14.905 13.806 707 HA LEU 22 HA LEU 22 0.181 15.251 10.841 708 HB2 LEU 22 HB2 LEU 22 -1.409 16.368 13.188 709 HB3 LEU 22 HB3 LEU 22 -1.647 16.825 11.506 710 HG LEU 22 HG LEU 22 -2.102 14.079 12.712 711 HD11 LEU 22 HD11 LEU 22 -4.475 14.587 12.049 712 HD12 LEU 22 HD12 LEU 22 -3.815 15.732 13.243 713 HD13 LEU 22 HD13 LEU 22 -3.958 16.202 11.543 714 HD21 LEU 22 HD21 LEU 22 -3.085 13.476 10.484 715 HD22 LEU 22 HD22 LEU 22 -2.451 14.999 9.824 716 HD23 LEU 22 HD23 LEU 22 -1.341 13.730 10.408 717 H GLU 23 H GLU 23 1.527 16.847 13.724 718 HA GLU 23 HA GLU 23 3.136 18.475 11.970 719 HB2 GLU 23 HB2 GLU 23 2.493 20.684 12.821 720 HB3 GLU 23 HB3 GLU 23 1.192 19.932 11.904 721 HG2 GLU 23 HG2 GLU 23 -0.030 19.420 13.957 722 HG3 GLU 23 HG3 GLU 23 1.352 19.914 14.950 723 H VAL 24 H VAL 24 4.716 19.753 13.003 724 HA VAL 24 HA VAL 24 5.425 19.104 15.824 725 HB VAL 24 HB VAL 24 7.384 19.013 13.502 726 HG11 VAL 24 HG11 VAL 24 8.928 18.044 15.176 727 HG12 VAL 24 HG12 VAL 24 8.462 19.683 15.593 728 HG13 VAL 24 HG13 VAL 24 7.719 18.327 16.448 729 HG21 VAL 24 HG21 VAL 24 7.568 16.589 13.946 730 HG22 VAL 24 HG22 VAL 24 6.210 16.699 15.091 731 HG23 VAL 24 HG23 VAL 24 5.971 17.022 13.352 732 H ARG 25 H ARG 25 6.294 20.816 16.930 733 HA ARG 25 HA ARG 25 6.731 23.432 15.497 734 HB2 ARG 25 HB2 ARG 25 5.245 22.879 18.087 735 HB3 ARG 25 HB3 ARG 25 5.618 24.491 17.465 736 HG2 ARG 25 HG2 ARG 25 4.201 24.132 15.519 737 HG3 ARG 25 HG3 ARG 25 3.862 22.466 16.005 738 HD2 ARG 25 HD2 ARG 25 3.137 24.943 17.629 739 HD3 ARG 25 HD3 ARG 25 2.026 24.073 16.578 740 HE ARG 25 HE ARG 25 2.900 23.282 19.251 741 HH11 ARG 25 HH11 ARG 25 1.438 22.016 16.276 742 HH12 ARG 25 HH12 ARG 25 0.862 20.603 17.160 743 HH21 ARG 25 HH21 ARG 25 1.911 21.420 20.217 744 HH22 ARG 25 HH22 ARG 25 1.190 20.276 19.121 745 H ALA 26 H ALA 26 8.541 24.485 16.014 746 HA ALA 26 HA ALA 26 10.118 23.659 18.411 747 HB1 ALA 26 HB1 ALA 26 11.355 23.702 16.278 748 HB2 ALA 26 HB2 ALA 26 10.882 25.401 16.038 749 HB3 ALA 26 HB3 ALA 26 11.940 24.953 17.392 750 H GLU 27 H GLU 27 10.150 24.877 20.150 751 HA GLU 27 HA GLU 27 9.154 27.707 20.133 752 HB2 GLU 27 HB2 GLU 27 9.172 25.698 22.410 753 HB3 GLU 27 HB3 GLU 27 8.631 27.366 22.519 754 HG2 GLU 27 HG2 GLU 27 7.341 25.107 20.921 755 HG3 GLU 27 HG3 GLU 27 6.741 25.836 22.400 756 H GLY 28 H GLY 28 10.225 29.004 21.941 757 HA2 GLY 28 HA2 GLY 28 13.075 29.082 21.565 758 HA3 GLY 28 HA3 GLY 28 12.124 30.110 22.635 759 H GLY 29 H GLY 29 12.437 26.573 22.813 760 HA2 GLY 29 HA2 GLY 29 14.341 26.188 24.771 761 HA3 GLY 29 HA3 GLY 29 12.888 26.594 25.683 762 H ALA 30 H ALA 30 11.809 24.935 22.930 763 HA ALA 30 HA ALA 30 12.170 22.199 23.852 764 HB1 ALA 30 HB1 ALA 30 9.448 23.560 24.202 765 HB2 ALA 30 HB2 ALA 30 9.810 21.852 24.509 766 HB3 ALA 30 HB3 ALA 30 10.526 23.110 25.536 767 H VAL 31 H VAL 31 10.982 20.661 22.533 768 HA VAL 31 HA VAL 31 9.665 21.756 20.067 769 HB VAL 31 HB VAL 31 11.060 19.092 20.420 770 HG11 VAL 31 HG11 VAL 31 10.322 18.618 18.057 771 HG12 VAL 31 HG12 VAL 31 9.001 18.565 19.211 772 HG13 VAL 31 HG13 VAL 31 9.216 19.993 18.160 773 HG21 VAL 31 HG21 VAL 31 12.368 19.864 18.503 774 HG22 VAL 31 HG22 VAL 31 11.342 21.311 18.341 775 HG23 VAL 31 HG23 VAL 31 12.389 21.118 19.747 776 H ARG 32 H ARG 32 7.644 21.123 19.583 777 HA ARG 32 HA ARG 32 6.099 19.428 21.509 778 HB2 ARG 32 HB2 ARG 32 5.264 22.072 20.260 779 HB3 ARG 32 HB3 ARG 32 4.181 20.989 21.141 780 HG2 ARG 32 HG2 ARG 32 5.462 21.281 23.201 781 HG3 ARG 32 HG3 ARG 32 6.699 22.203 22.353 782 HD2 ARG 32 HD2 ARG 32 5.385 23.743 23.560 783 HD3 ARG 32 HD3 ARG 32 5.059 23.984 21.840 784 HE ARG 32 HE ARG 32 3.026 22.271 22.595 785 HH11 ARG 32 HH11 ARG 32 3.980 25.407 23.873 786 HH12 ARG 32 HH12 ARG 32 2.356 25.744 24.417 787 HH21 ARG 32 HH21 ARG 32 1.093 22.728 23.304 788 HH22 ARG 32 HH22 ARG 32 0.731 24.269 24.070 789 H VAL 33 H VAL 33 4.506 18.139 20.630 790 HA VAL 33 HA VAL 33 4.469 17.772 17.635 791 HB VAL 33 HB VAL 33 4.880 15.617 19.740 792 HG11 VAL 33 HG11 VAL 33 4.882 15.445 16.703 793 HG12 VAL 33 HG12 VAL 33 5.331 14.122 17.793 794 HG13 VAL 33 HG13 VAL 33 3.675 14.728 17.802 795 HG21 VAL 33 HG21 VAL 33 7.135 15.295 18.767 796 HG22 VAL 33 HG22 VAL 33 6.886 16.719 17.740 797 HG23 VAL 33 HG23 VAL 33 6.966 16.875 19.514 798 H THR 34 H THR 34 2.489 17.250 16.787 799 HA THR 34 HA THR 34 0.268 16.571 18.698 800 HB THR 34 HB THR 34 0.164 18.314 16.228 801 HG1 THR 34 HG1 THR 34 -0.517 18.870 18.923 802 HG21 THR 34 HG21 THR 34 -2.196 18.774 16.962 803 HG22 THR 34 HG22 THR 34 -1.960 17.142 16.328 804 HG23 THR 34 HG23 THR 34 -2.073 17.399 18.081 805 H THR 35 H THR 35 -0.865 14.789 18.326 806 HA THR 35 HA THR 35 -0.324 13.175 15.915 807 HB THR 35 HB THR 35 -1.266 11.329 17.052 808 HG1 THR 35 HG1 THR 35 -2.247 11.553 19.070 809 HG21 THR 35 HG21 THR 35 0.075 11.089 19.020 810 HG22 THR 35 HG22 THR 35 1.016 12.006 17.823 811 HG23 THR 35 HG23 THR 35 0.256 12.852 19.194 812 H LEU 36 H LEU 36 -2.038 11.958 14.907 813 HA LEU 36 HA LEU 36 -4.265 13.315 13.877 814 HB2 LEU 36 HB2 LEU 36 -3.163 11.375 12.864 815 HB3 LEU 36 HB3 LEU 36 -3.557 10.383 14.267 816 HG LEU 36 HG LEU 36 -5.949 10.425 13.687 817 HD11 LEU 36 HD11 LEU 36 -5.067 11.963 11.211 818 HD12 LEU 36 HD12 LEU 36 -6.684 11.275 11.500 819 HD13 LEU 36 HD13 LEU 36 -6.096 12.598 12.501 820 HD21 LEU 36 HD21 LEU 36 -4.197 9.665 11.321 821 HD22 LEU 36 HD22 LEU 36 -4.434 8.678 12.783 822 HD23 LEU 36 HD23 LEU 36 -5.813 9.018 11.712 823 H PHE 37 H PHE 37 -3.977 11.689 16.945 824 HA PHE 37 HA PHE 37 -6.920 11.685 17.367 825 HB2 PHE 37 HB2 PHE 37 -4.747 10.224 18.890 826 HB3 PHE 37 HB3 PHE 37 -6.495 10.043 19.109 827 HD1 PHE 37 HD1 PHE 37 -3.632 8.884 17.233 828 HD2 PHE 37 HD2 PHE 37 -7.921 9.340 17.053 829 HE1 PHE 37 HE1 PHE 37 -3.724 7.325 15.306 830 HE2 PHE 37 HE2 PHE 37 -8.003 7.779 15.123 831 HZ PHE 37 HZ PHE 37 -5.905 6.793 14.234 832 H ASP 38 H ASP 38 -5.008 14.022 17.587 833 HA ASP 38 HA ASP 38 -4.837 15.929 18.712 834 HB2 ASP 38 HB2 ASP 38 -7.345 15.678 18.492 835 HB3 ASP 38 HB3 ASP 38 -7.376 15.192 20.190 836 H GLU 39 H GLU 39 -3.461 13.616 19.911 837 HA GLU 39 HA GLU 39 -3.139 14.498 22.739 838 HB2 GLU 39 HB2 GLU 39 -1.582 12.427 21.127 839 HB3 GLU 39 HB3 GLU 39 -1.354 12.803 22.830 840 HG2 GLU 39 HG2 GLU 39 -3.848 11.570 21.575 841 HG3 GLU 39 HG3 GLU 39 -2.622 10.737 22.522 842 H GLU 40 H GLU 40 -1.399 15.684 23.438 843 HA GLU 40 HA GLU 40 0.560 16.616 21.405 844 HB2 GLU 40 HB2 GLU 40 -0.814 18.481 22.089 845 HB3 GLU 40 HB3 GLU 40 -0.441 18.173 23.802 846 HG2 GLU 40 HG2 GLU 40 1.913 18.682 23.442 847 HG3 GLU 40 HG3 GLU 40 1.683 18.733 21.694 848 H HIS 41 H HIS 41 2.642 16.345 21.792 849 HA HIS 41 HA HIS 41 3.582 15.425 24.480 850 HB2 HIS 41 HB2 HIS 41 4.813 14.670 21.804 851 HB3 HIS 41 HB3 HIS 41 5.277 14.089 23.402 852 HD2 HIS 41 HD2 HIS 41 2.825 13.457 20.567 853 HE1 HIS 41 HE1 HIS 41 1.785 10.670 23.627 854 HE2 HIS 41 HE2 HIS 41 1.394 11.328 21.197 855 H ALA 42 H ALA 42 5.660 16.262 25.131 856 HA ALA 42 HA ALA 42 6.783 18.506 23.567 857 HB1 ALA 42 HB1 ALA 42 5.671 18.847 26.381 858 HB2 ALA 42 HB2 ALA 42 6.567 20.065 25.459 859 HB3 ALA 42 HB3 ALA 42 4.978 19.523 24.888 860 H PHE 43 H PHE 43 8.876 18.930 23.886 861 HA PHE 43 HA PHE 43 10.458 17.325 25.862 862 HB2 PHE 43 HB2 PHE 43 10.941 17.484 22.872 863 HB3 PHE 43 HB3 PHE 43 11.923 16.628 24.059 864 HD1 PHE 43 HD1 PHE 43 8.884 16.541 22.024 865 HD2 PHE 43 HD2 PHE 43 10.990 14.630 25.265 866 HE1 PHE 43 HE1 PHE 43 7.341 14.601 21.887 867 HE2 PHE 43 HE2 PHE 43 9.447 12.680 25.118 868 HZ PHE 43 HZ PHE 43 7.620 12.666 23.438 869 HA PRO 44 HA PRO 44 12.136 21.582 26.073 870 HB2 PRO 44 HB2 PRO 44 13.257 20.347 28.575 871 HB3 PRO 44 HB3 PRO 44 12.574 21.989 28.335 872 HG2 PRO 44 HG2 PRO 44 11.078 20.070 29.533 873 HG3 PRO 44 HG3 PRO 44 10.339 21.125 28.281 874 HD2 PRO 44 HD2 PRO 44 11.427 18.316 27.948 875 HD3 PRO 44 HD3 PRO 44 9.870 18.992 27.388 876 H GLY 45 H GLY 45 14.118 22.349 25.543 877 HA2 GLY 45 HA2 GLY 45 16.378 22.474 25.112 878 HA3 GLY 45 HA3 GLY 45 16.607 20.909 25.909 879 H LEU 46 H LEU 46 14.311 20.553 23.446 880 HA LEU 46 HA LEU 46 16.357 19.667 21.462 881 HB2 LEU 46 HB2 LEU 46 13.394 19.036 21.595 882 HB3 LEU 46 HB3 LEU 46 14.518 18.468 20.367 883 HG LEU 46 HG LEU 46 14.474 17.704 23.314 884 HD11 LEU 46 HD11 LEU 46 14.011 15.479 22.455 885 HD12 LEU 46 HD12 LEU 46 12.857 16.609 21.730 886 HD13 LEU 46 HD13 LEU 46 14.228 16.020 20.781 887 HD21 LEU 46 HD21 LEU 46 16.504 16.941 21.160 888 HD22 LEU 46 HD22 LEU 46 16.836 17.833 22.671 889 HD23 LEU 46 HD23 LEU 46 16.340 16.142 22.744 890 H ALA 47 H ALA 47 16.047 20.075 19.277 891 HA ALA 47 HA ALA 47 14.182 22.189 18.386 892 HB1 ALA 47 HB1 ALA 47 16.314 23.352 18.772 893 HB2 ALA 47 HB2 ALA 47 17.179 22.122 17.805 894 HB3 ALA 47 HB3 ALA 47 16.004 23.205 17.030 895 H ILE 48 H ILE 48 13.799 22.054 16.023 896 HA ILE 48 HA ILE 48 13.682 19.265 15.124 897 HB ILE 48 HB ILE 48 12.850 21.817 13.707 898 HG12 ILE 48 HG12 ILE 48 11.050 19.807 15.132 899 HG13 ILE 48 HG13 ILE 48 11.606 21.304 15.868 900 HG21 ILE 48 HG21 ILE 48 12.260 18.875 13.096 901 HG22 ILE 48 HG22 ILE 48 11.539 20.251 12.249 902 HG23 ILE 48 HG23 ILE 48 13.265 19.959 12.109 903 HD11 ILE 48 HD11 ILE 48 9.427 21.726 15.026 904 HD12 ILE 48 HD12 ILE 48 10.562 22.601 13.989 905 HD13 ILE 48 HD13 ILE 48 9.815 21.085 13.429 906 H GLY 49 H GLY 49 15.213 18.240 13.973 907 HA2 GLY 49 HA2 GLY 49 17.590 19.764 12.998 908 HA3 GLY 49 HA3 GLY 49 17.493 18.051 13.406 909 H ARG 50 H ARG 50 15.341 17.160 11.875 910 HA ARG 50 HA ARG 50 15.888 17.908 9.064 911 HB2 ARG 50 HB2 ARG 50 17.506 16.093 9.866 912 HB3 ARG 50 HB3 ARG 50 16.114 15.014 10.005 913 HG2 ARG 50 HG2 ARG 50 15.650 15.288 7.568 914 HG3 ARG 50 HG3 ARG 50 16.935 16.478 7.472 915 HD2 ARG 50 HD2 ARG 50 18.153 14.698 6.771 916 HD3 ARG 50 HD3 ARG 50 18.405 14.463 8.491 917 HE ARG 50 HE ARG 50 16.979 12.589 8.457 918 HH11 ARG 50 HH11 ARG 50 16.874 14.063 5.241 919 HH12 ARG 50 HH12 ARG 50 15.938 12.704 4.624 920 HH21 ARG 50 HH21 ARG 50 15.866 10.893 7.440 921 HH22 ARG 50 HH22 ARG 50 15.446 11.078 5.743 922 H VAL 51 H VAL 51 14.335 17.441 7.620 923 HA VAL 51 HA VAL 51 11.850 16.002 8.473 924 HB VAL 51 HB VAL 51 11.998 18.479 6.718 925 HG11 VAL 51 HG11 VAL 51 10.204 17.022 5.936 926 HG12 VAL 51 HG12 VAL 51 9.592 16.829 7.596 927 HG13 VAL 51 HG13 VAL 51 9.515 18.403 6.783 928 HG21 VAL 51 HG21 VAL 51 10.677 19.573 8.483 929 HG22 VAL 51 HG22 VAL 51 10.814 18.113 9.499 930 HG23 VAL 51 HG23 VAL 51 12.251 19.081 9.092 931 H ASP 52 H ASP 52 11.212 14.452 7.076 932 HA ASP 52 HA ASP 52 12.188 14.434 4.267 933 HB2 ASP 52 HB2 ASP 52 13.771 13.219 5.830 934 HB3 ASP 52 HB3 ASP 52 12.484 12.053 6.125 935 H LEU 53 H LEU 53 10.199 14.728 3.405 936 HA LEU 53 HA LEU 53 7.784 13.405 4.424 937 HB2 LEU 53 HB2 LEU 53 8.240 15.113 1.948 938 HB3 LEU 53 HB3 LEU 53 6.694 14.706 2.680 939 HG LEU 53 HG LEU 53 8.862 16.492 3.858 940 HD11 LEU 53 HD11 LEU 53 7.116 18.197 3.657 941 HD12 LEU 53 HD12 LEU 53 7.569 17.505 2.086 942 HD13 LEU 53 HD13 LEU 53 6.040 17.024 2.871 943 HD21 LEU 53 HD21 LEU 53 6.187 15.662 5.044 944 HD22 LEU 53 HD22 LEU 53 7.794 15.302 5.731 945 HD23 LEU 53 HD23 LEU 53 7.208 16.972 5.669 946 H ARG 54 H ARG 54 10.182 12.671 2.110 947 HA ARG 54 HA ARG 54 8.714 10.729 0.455 948 HB2 ARG 54 HB2 ARG 54 10.582 11.743 -0.562 949 HB3 ARG 54 HB3 ARG 54 11.535 11.671 0.901 950 HG2 ARG 54 HG2 ARG 54 11.666 9.108 0.552 951 HG3 ARG 54 HG3 ARG 54 10.984 9.416 -1.051 952 HD2 ARG 54 HD2 ARG 54 13.438 9.325 -1.157 953 HD3 ARG 54 HD3 ARG 54 12.881 10.971 -1.518 954 HE ARG 54 HE ARG 54 13.557 10.430 1.306 955 HH11 ARG 54 HH11 ARG 54 14.837 11.833 -1.672 956 HH12 ARG 54 HH12 ARG 54 15.872 12.904 -0.736 957 HH21 ARG 54 HH21 ARG 54 14.955 11.783 2.319 958 HH22 ARG 54 HH22 ARG 54 15.921 12.889 1.334 959 H SER 55 H SER 55 10.928 10.606 3.252 960 HA SER 55 HA SER 55 10.530 7.762 3.754 961 HB2 SER 55 HB2 SER 55 12.602 9.023 4.296 962 HB3 SER 55 HB3 SER 55 11.695 9.933 5.523 963 HG SER 55 HG SER 55 12.324 7.156 5.474 964 H GLY 56 H GLY 56 9.050 10.737 4.995 965 HA2 GLY 56 HA2 GLY 56 7.025 11.016 6.119 966 HA3 GLY 56 HA3 GLY 56 6.892 9.275 6.388 967 H VAL 57 H VAL 57 9.658 11.424 7.176 968 HA VAL 57 HA VAL 57 9.321 10.813 10.078 969 HB VAL 57 HB VAL 57 11.857 10.378 8.468 970 HG11 VAL 57 HG11 VAL 57 11.330 10.020 11.461 971 HG12 VAL 57 HG12 VAL 57 12.757 9.410 10.595 972 HG13 VAL 57 HG13 VAL 57 12.491 11.142 10.706 973 HG21 VAL 57 HG21 VAL 57 11.588 8.004 9.165 974 HG22 VAL 57 HG22 VAL 57 10.018 8.403 9.896 975 HG23 VAL 57 HG23 VAL 57 10.265 8.534 8.142 976 H ILE 58 H ILE 58 9.986 12.308 11.507 977 HA ILE 58 HA ILE 58 11.604 14.643 10.597 978 HB ILE 58 HB ILE 58 9.295 14.674 12.582 979 HG12 ILE 58 HG12 ILE 58 8.817 16.716 10.834 980 HG13 ILE 58 HG13 ILE 58 9.648 15.620 9.743 981 HG21 ILE 58 HG21 ILE 58 11.263 16.889 11.868 982 HG22 ILE 58 HG22 ILE 58 9.797 17.091 12.843 983 HG23 ILE 58 HG23 ILE 58 11.115 16.094 13.449 984 HD11 ILE 58 HD11 ILE 58 7.199 15.321 9.681 985 HD12 ILE 58 HD12 ILE 58 7.944 13.853 10.320 986 HD13 ILE 58 HD13 ILE 58 7.155 15.011 11.425 987 H SER 59 H SER 59 13.461 14.896 11.660 988 HA SER 59 HA SER 59 14.002 13.198 14.077 989 HB2 SER 59 HB2 SER 59 16.011 14.314 12.102 990 HB3 SER 59 HB3 SER 59 16.338 13.253 13.475 991 HG SER 59 HG SER 59 14.808 12.652 11.135 992 H LEU 60 H LEU 60 14.536 14.135 15.948 993 HA LEU 60 HA LEU 60 14.952 17.093 16.020 994 HB2 LEU 60 HB2 LEU 60 14.327 15.249 18.335 995 HB3 LEU 60 HB3 LEU 60 14.287 17.013 18.310 996 HG LEU 60 HG LEU 60 12.369 15.114 16.883 997 HD11 LEU 60 HD11 LEU 60 12.027 15.376 19.311 998 HD12 LEU 60 HD12 LEU 60 11.982 17.133 19.129 999 HD13 LEU 60 HD13 LEU 60 10.713 16.122 18.404 1000 HD21 LEU 60 HD21 LEU 60 12.451 18.157 16.831 1001 HD22 LEU 60 HD22 LEU 60 12.660 17.066 15.449 1002 HD23 LEU 60 HD23 LEU 60 11.094 17.159 16.248 1003 H ILE 61 H ILE 61 16.498 18.025 17.383 1004 HA ILE 61 HA ILE 61 18.899 16.443 18.156 1005 HB ILE 61 HB ILE 61 20.377 18.064 17.098 1006 HG12 ILE 61 HG12 ILE 61 18.937 19.380 15.107 1007 HG13 ILE 61 HG13 ILE 61 17.879 19.551 16.517 1008 HG21 ILE 61 HG21 ILE 61 20.160 17.327 14.804 1009 HG22 ILE 61 HG22 ILE 61 19.796 15.996 15.913 1010 HG23 ILE 61 HG23 ILE 61 18.476 16.829 15.077 1011 HD11 ILE 61 HD11 ILE 61 19.443 21.427 16.248 1012 HD12 ILE 61 HD12 ILE 61 19.674 20.578 17.786 1013 HD13 ILE 61 HD13 ILE 61 20.824 20.328 16.454 1014 H GLU 62 H GLU 62 20.433 17.734 19.508 1015 HA GLU 62 HA GLU 62 18.969 19.044 21.650 1016 HB2 GLU 62 HB2 GLU 62 21.950 18.639 21.218 1017 HB3 GLU 62 HB3 GLU 62 21.209 19.312 22.680 1018 HG2 GLU 62 HG2 GLU 62 19.880 17.186 22.938 1019 HG3 GLU 62 HG3 GLU 62 20.803 16.506 21.587 1020 H GLU 63 H GLU 63 18.456 21.102 21.823 1021 HA GLU 63 HA GLU 63 18.996 23.052 19.850 1022 HB2 GLU 63 HB2 GLU 63 17.010 22.982 21.277 1023 HB3 GLU 63 HB3 GLU 63 18.002 23.305 22.706 1024 HG2 GLU 63 HG2 GLU 63 18.561 25.547 21.813 1025 HG3 GLU 63 HG3 GLU 63 17.640 25.203 20.346 1026 H GLN 64 H GLN 64 20.642 24.386 19.498 1027 HA GLN 64 HA GLN 64 22.791 24.726 21.500 1028 HB2 GLN 64 HB2 GLN 64 22.704 25.501 18.564 1029 HB3 GLN 64 HB3 GLN 64 24.128 25.524 19.608 1030 HG2 GLN 64 HG2 GLN 64 22.577 23.035 18.732 1031 HG3 GLN 64 HG3 GLN 64 24.149 23.555 18.139 1032 HE21 GLN 64 HE21 GLN 64 22.732 21.411 20.292 1033 HE22 GLN 64 HE22 GLN 64 24.134 21.181 21.342 1034 H ASN 65 H ASN 65 20.075 26.388 20.890 1035 HA ASN 65 HA ASN 65 21.018 29.135 20.793 1036 HB2 ASN 65 HB2 ASN 65 18.876 28.250 19.810 1037 HB3 ASN 65 HB3 ASN 65 18.259 28.007 21.441 1038 HD21 ASN 65 HD21 ASN 65 18.545 30.294 18.858 1039 HD22 ASN 65 HD22 ASN 65 17.934 31.647 19.802 1040 H ARG 66 H ARG 66 20.219 26.946 23.410 1041 HA ARG 66 HA ARG 66 20.430 29.114 25.468 1042 HB2 ARG 66 HB2 ARG 66 19.241 26.323 25.722 1043 HB3 ARG 66 HB3 ARG 66 19.298 27.557 26.968 1044 HG2 ARG 66 HG2 ARG 66 17.699 27.688 24.374 1045 HG3 ARG 66 HG3 ARG 66 17.070 27.456 26.000 1046 HD2 ARG 66 HD2 ARG 66 17.970 29.729 26.624 1047 HD3 ARG 66 HD3 ARG 66 18.429 29.951 24.919 1048 HE ARG 66 HE ARG 66 15.653 29.262 25.100 1049 HH11 ARG 66 HH11 ARG 66 17.776 32.005 25.591 1050 HH12 ARG 66 HH12 ARG 66 16.493 33.159 25.377 1051 HH21 ARG 66 HH21 ARG 66 14.095 30.725 24.842 1052 HH22 ARG 66 HH22 ARG 66 14.420 32.448 24.967 Start of MODEL 14 1 H1 GLY -3 H1 GLY -3 10.761 0.697 -5.884 2 H2 GLY -3 H2 GLY -3 11.729 1.993 -6.105 3 H3 GLY -3 H3 GLY -3 12.077 0.574 -6.860 4 HA2 GLY -3 HA2 GLY -3 11.141 2.144 -8.419 5 HA3 GLY -3 HA3 GLY -3 10.092 0.726 -8.192 6 HA PRO -2 HA PRO -2 7.446 4.492 -7.769 7 HB2 PRO -2 HB2 PRO -2 5.511 2.460 -8.889 8 HB3 PRO -2 HB3 PRO -2 5.645 4.202 -9.259 9 HG2 PRO -2 HG2 PRO -2 6.673 2.372 -10.968 10 HG3 PRO -2 HG3 PRO -2 7.644 3.818 -10.558 11 HD2 PRO -2 HD2 PRO -2 7.850 1.026 -9.380 12 HD3 PRO -2 HD3 PRO -2 9.151 2.102 -9.981 13 H GLY -1 H GLY -1 5.657 4.975 -6.426 14 HA2 GLY -1 HA2 GLY -1 4.083 3.208 -4.904 15 HA3 GLY -1 HA3 GLY -1 5.518 3.584 -3.932 16 H SER 0 H SER 0 3.502 4.383 -2.630 17 HA SER 0 HA SER 0 2.350 6.955 -3.277 18 HB2 SER 0 HB2 SER 0 1.590 6.912 -0.918 19 HB3 SER 0 HB3 SER 0 1.171 5.456 -1.819 20 HG SER 0 HG SER 0 3.315 5.763 0.055 21 H MET 1 H MET 1 2.854 8.971 -2.594 22 HA MET 1 HA MET 1 5.473 9.473 -1.236 23 HB2 MET 1 HB2 MET 1 4.314 10.770 -3.721 24 HB3 MET 1 HB3 MET 1 5.679 11.426 -2.827 25 HG2 MET 1 HG2 MET 1 5.607 8.653 -4.051 26 HG3 MET 1 HG3 MET 1 6.271 10.062 -4.866 27 HE1 MET 1 HE1 MET 1 7.927 11.648 -2.576 28 HE2 MET 1 HE2 MET 1 9.510 10.910 -2.884 29 HE3 MET 1 HE3 MET 1 8.445 11.310 -4.247 30 H CYS 2 H CYS 2 5.705 11.444 -0.188 31 HA CYS 2 HA CYS 2 3.388 13.259 0.080 32 HB2 CYS 2 HB2 CYS 2 5.037 12.142 2.364 33 HB3 CYS 2 HB3 CYS 2 4.143 13.656 2.487 34 H MET 3 H MET 3 3.985 15.425 0.570 35 HA MET 3 HA MET 3 6.776 16.304 0.383 36 HB2 MET 3 HB2 MET 3 6.430 17.685 -1.609 37 HB3 MET 3 HB3 MET 3 6.251 15.977 -1.999 38 HG2 MET 3 HG2 MET 3 3.915 16.151 -2.272 39 HG3 MET 3 HG3 MET 3 3.828 17.666 -1.378 40 HE1 MET 3 HE1 MET 3 6.610 17.148 -4.184 41 HE2 MET 3 HE2 MET 3 5.284 16.100 -4.740 42 HE3 MET 3 HE3 MET 3 5.684 17.591 -5.627 43 H ALA 4 H ALA 4 6.827 18.770 0.366 44 HA ALA 4 HA ALA 4 4.443 20.068 1.548 45 HB1 ALA 4 HB1 ALA 4 5.784 19.265 3.474 46 HB2 ALA 4 HB2 ALA 4 7.220 20.081 2.829 47 HB3 ALA 4 HB3 ALA 4 5.833 21.026 3.385 48 H LYS 5 H LYS 5 4.944 22.507 1.815 49 HA LYS 5 HA LYS 5 7.021 23.438 -0.110 50 HB2 LYS 5 HB2 LYS 5 5.918 25.443 -0.600 51 HB3 LYS 5 HB3 LYS 5 4.790 24.131 -0.932 52 HG2 LYS 5 HG2 LYS 5 3.559 24.631 1.140 53 HG3 LYS 5 HG3 LYS 5 4.764 25.855 1.592 54 HD2 LYS 5 HD2 LYS 5 4.221 27.133 -0.479 55 HD3 LYS 5 HD3 LYS 5 2.897 25.978 -0.800 56 HE2 LYS 5 HE2 LYS 5 1.886 26.557 1.405 57 HE3 LYS 5 HE3 LYS 5 3.214 27.690 1.712 58 HZ1 LYS 5 HZ1 LYS 5 1.269 28.826 0.834 59 HZ2 LYS 5 HZ2 LYS 5 2.521 28.962 -0.213 60 HZ3 LYS 5 HZ3 LYS 5 1.287 27.925 -0.528 61 H VAL 6 H VAL 6 8.481 24.882 0.592 62 HA VAL 6 HA VAL 6 8.670 25.355 3.528 63 HB VAL 6 HB VAL 6 10.674 25.457 1.285 64 HG11 VAL 6 HG11 VAL 6 11.055 26.687 4.044 65 HG12 VAL 6 HG12 VAL 6 12.360 26.291 2.915 66 HG13 VAL 6 HG13 VAL 6 11.171 27.514 2.474 67 HG21 VAL 6 HG21 VAL 6 10.211 23.338 2.586 68 HG22 VAL 6 HG22 VAL 6 11.879 23.908 2.735 69 HG23 VAL 6 HG23 VAL 6 10.740 24.181 4.060 70 H VAL 7 H VAL 7 8.531 27.368 4.407 71 HA VAL 7 HA VAL 7 8.541 29.736 2.610 72 HB VAL 7 HB VAL 7 6.232 29.405 3.198 73 HG11 VAL 7 HG11 VAL 7 6.422 28.210 5.340 74 HG12 VAL 7 HG12 VAL 7 7.046 29.689 6.124 75 HG13 VAL 7 HG13 VAL 7 5.392 29.637 5.485 76 HG21 VAL 7 HG21 VAL 7 7.348 31.752 4.787 77 HG22 VAL 7 HG22 VAL 7 7.162 31.729 3.015 78 HG23 VAL 7 HG23 VAL 7 5.736 31.601 4.062 79 H LEU 8 H LEU 8 9.752 31.401 3.210 80 HA LEU 8 HA LEU 8 10.997 31.612 5.872 81 HB2 LEU 8 HB2 LEU 8 13.259 31.382 5.074 82 HB3 LEU 8 HB3 LEU 8 12.346 29.940 4.689 83 HG LEU 8 HG LEU 8 12.056 31.180 2.298 84 HD11 LEU 8 HD11 LEU 8 13.366 33.219 2.897 85 HD12 LEU 8 HD12 LEU 8 14.739 32.202 3.345 86 HD13 LEU 8 HD13 LEU 8 14.187 32.277 1.660 87 HD21 LEU 8 HD21 LEU 8 14.564 29.705 3.168 88 HD22 LEU 8 HD22 LEU 8 13.035 28.966 2.658 89 HD23 LEU 8 HD23 LEU 8 13.981 29.910 1.500 90 H THR 9 H THR 9 12.468 33.542 5.991 91 HA THR 9 HA THR 9 11.745 35.699 4.064 92 HB THR 9 HB THR 9 11.721 36.213 7.038 93 HG1 THR 9 HG1 THR 9 10.068 34.773 6.589 94 HG21 THR 9 HG21 THR 9 10.398 38.184 6.378 95 HG22 THR 9 HG22 THR 9 11.959 38.198 5.543 96 HG23 THR 9 HG23 THR 9 10.475 37.699 4.680 97 H LYS 10 H LYS 10 13.368 36.958 3.469 98 HA LYS 10 HA LYS 10 16.114 36.427 4.237 99 HB2 LYS 10 HB2 LYS 10 14.874 38.728 2.650 100 HB3 LYS 10 HB3 LYS 10 16.602 38.378 2.748 101 HG2 LYS 10 HG2 LYS 10 16.259 36.207 1.627 102 HG3 LYS 10 HG3 LYS 10 14.517 36.502 1.557 103 HD2 LYS 10 HD2 LYS 10 14.996 38.622 0.240 104 HD3 LYS 10 HD3 LYS 10 16.706 38.139 0.192 105 HE2 LYS 10 HE2 LYS 10 16.010 35.988 -0.895 106 HE3 LYS 10 HE3 LYS 10 14.332 36.555 -0.874 107 HZ1 LYS 10 HZ1 LYS 10 16.567 37.871 -2.331 108 HZ2 LYS 10 HZ2 LYS 10 15.377 36.986 -3.021 109 HZ3 LYS 10 HZ3 LYS 10 15.016 38.399 -2.311 110 H ALA 11 H ALA 11 17.638 38.040 4.967 111 HA ALA 11 HA ALA 11 16.919 39.518 7.339 112 HB1 ALA 11 HB1 ALA 11 19.256 40.313 7.194 113 HB2 ALA 11 HB2 ALA 11 19.168 38.559 6.924 114 HB3 ALA 11 HB3 ALA 11 19.390 39.666 5.547 115 H ASP 12 H ASP 12 17.027 40.385 3.926 116 HA ASP 12 HA ASP 12 16.692 43.254 4.291 117 HB2 ASP 12 HB2 ASP 12 17.664 42.005 2.281 118 HB3 ASP 12 HB3 ASP 12 16.020 41.515 1.871 119 H GLY 13 H GLY 13 14.563 40.717 4.923 120 HA2 GLY 13 HA2 GLY 13 12.378 40.853 5.693 121 HA3 GLY 13 HA3 GLY 13 12.198 42.469 5.010 122 H GLY 14 H GLY 14 13.456 40.296 2.664 123 HA2 GLY 14 HA2 GLY 14 10.946 40.283 1.137 124 HA3 GLY 14 HA3 GLY 14 12.507 39.626 0.641 125 H ARG 15 H ARG 15 9.412 38.715 1.373 126 HA ARG 15 HA ARG 15 10.051 36.135 2.654 127 HB2 ARG 15 HB2 ARG 15 8.086 37.447 3.321 128 HB3 ARG 15 HB3 ARG 15 7.380 37.223 1.721 129 HG2 ARG 15 HG2 ARG 15 6.920 34.973 2.066 130 HG3 ARG 15 HG3 ARG 15 8.212 34.747 3.246 131 HD2 ARG 15 HD2 ARG 15 5.758 36.435 3.816 132 HD3 ARG 15 HD3 ARG 15 5.868 34.692 4.182 133 HE ARG 15 HE ARG 15 8.155 35.768 5.337 134 HH11 ARG 15 HH11 ARG 15 4.728 36.268 5.875 135 HH12 ARG 15 HH12 ARG 15 4.985 36.735 7.539 136 HH21 ARG 15 HH21 ARG 15 8.418 36.372 7.348 137 HH22 ARG 15 HH22 ARG 15 7.058 36.789 8.376 138 H VAL 16 H VAL 16 9.943 34.173 1.808 139 HA VAL 16 HA VAL 16 9.767 33.826 -1.165 140 HB VAL 16 HB VAL 16 11.976 32.895 0.704 141 HG11 VAL 16 HG11 VAL 16 13.095 32.005 -1.318 142 HG12 VAL 16 HG12 VAL 16 11.606 31.147 -0.958 143 HG13 VAL 16 HG13 VAL 16 11.649 32.355 -2.277 144 HG21 VAL 16 HG21 VAL 16 12.032 34.880 -1.601 145 HG22 VAL 16 HG22 VAL 16 12.286 35.240 0.123 146 HG23 VAL 16 HG23 VAL 16 13.465 34.263 -0.750 147 H GLU 17 H GLU 17 8.929 31.917 -1.843 148 HA GLU 17 HA GLU 17 8.588 29.735 0.142 149 HB2 GLU 17 HB2 GLU 17 6.542 30.536 -1.946 150 HB3 GLU 17 HB3 GLU 17 6.519 29.055 -0.974 151 HG2 GLU 17 HG2 GLU 17 6.520 30.518 1.090 152 HG3 GLU 17 HG3 GLU 17 6.191 31.900 0.045 153 H ILE 18 H ILE 18 8.760 27.656 -0.606 154 HA ILE 18 HA ILE 18 9.727 27.213 -3.407 155 HB ILE 18 HB ILE 18 10.946 25.975 -0.909 156 HG12 ILE 18 HG12 ILE 18 12.188 28.031 -2.776 157 HG13 ILE 18 HG13 ILE 18 11.586 28.372 -1.147 158 HG21 ILE 18 HG21 ILE 18 11.777 25.735 -3.838 159 HG22 ILE 18 HG22 ILE 18 12.554 24.942 -2.458 160 HG23 ILE 18 HG23 ILE 18 10.935 24.471 -2.904 161 HD11 ILE 18 HD11 ILE 18 13.932 26.590 -1.847 162 HD12 ILE 18 HD12 ILE 18 13.925 28.142 -0.992 163 HD13 ILE 18 HD13 ILE 18 13.213 26.712 -0.216 164 H GLY 19 H GLY 19 8.314 25.898 -4.333 165 HA2 GLY 19 HA2 GLY 19 6.515 24.142 -2.787 166 HA3 GLY 19 HA3 GLY 19 6.445 24.472 -4.514 167 H ASP 20 H ASP 20 6.055 21.950 -3.653 168 HA ASP 20 HA ASP 20 6.634 19.803 -3.930 169 HB2 ASP 20 HB2 ASP 20 8.560 20.741 -6.057 170 HB3 ASP 20 HB3 ASP 20 7.724 19.197 -5.945 171 H VAL 21 H VAL 21 8.078 20.988 -1.794 172 HA VAL 21 HA VAL 21 10.850 20.058 -1.828 173 HB VAL 21 HB VAL 21 9.092 21.105 0.417 174 HG11 VAL 21 HG11 VAL 21 10.796 19.667 1.434 175 HG12 VAL 21 HG12 VAL 21 12.061 20.425 0.426 176 HG13 VAL 21 HG13 VAL 21 11.219 21.355 1.683 177 HG21 VAL 21 HG21 VAL 21 11.403 22.334 -1.143 178 HG22 VAL 21 HG22 VAL 21 9.693 22.762 -1.323 179 HG23 VAL 21 HG23 VAL 21 10.528 23.107 0.193 180 H LEU 22 H LEU 22 11.629 18.157 -1.310 181 HA LEU 22 HA LEU 22 9.837 16.058 -0.146 182 HB2 LEU 22 HB2 LEU 22 12.397 15.961 -1.788 183 HB3 LEU 22 HB3 LEU 22 11.774 14.569 -0.928 184 HG LEU 22 HG LEU 22 10.391 16.032 -3.212 185 HD11 LEU 22 HD11 LEU 22 12.263 14.485 -3.799 186 HD12 LEU 22 HD12 LEU 22 11.447 13.176 -2.930 187 HD13 LEU 22 HD13 LEU 22 10.695 13.873 -4.364 188 HD21 LEU 22 HD21 LEU 22 8.706 14.189 -3.100 189 HD22 LEU 22 HD22 LEU 22 9.385 13.688 -1.534 190 HD23 LEU 22 HD23 LEU 22 8.622 15.277 -1.713 191 H GLU 23 H GLU 23 12.791 17.909 0.573 192 HA GLU 23 HA GLU 23 12.666 16.898 3.310 193 HB2 GLU 23 HB2 GLU 23 14.817 15.861 3.424 194 HB3 GLU 23 HB3 GLU 23 13.951 15.130 2.104 195 HG2 GLU 23 HG2 GLU 23 16.034 15.411 1.171 196 HG3 GLU 23 HG3 GLU 23 15.187 16.826 0.558 197 H VAL 24 H VAL 24 14.127 17.897 4.777 198 HA VAL 24 HA VAL 24 15.448 20.425 4.009 199 HB VAL 24 HB VAL 24 13.320 20.304 6.189 200 HG11 VAL 24 HG11 VAL 24 15.009 22.621 5.180 201 HG12 VAL 24 HG12 VAL 24 13.649 22.763 6.309 202 HG13 VAL 24 HG13 VAL 24 15.099 21.880 6.779 203 HG21 VAL 24 HG21 VAL 24 12.173 20.358 4.057 204 HG22 VAL 24 HG22 VAL 24 12.095 21.961 4.775 205 HG23 VAL 24 HG23 VAL 24 13.241 21.647 3.459 206 H ARG 25 H ARG 25 17.187 20.881 5.301 207 HA ARG 25 HA ARG 25 17.816 19.194 7.717 208 HB2 ARG 25 HB2 ARG 25 19.549 19.929 5.333 209 HB3 ARG 25 HB3 ARG 25 20.244 19.448 6.873 210 HG2 ARG 25 HG2 ARG 25 19.506 17.254 6.737 211 HG3 ARG 25 HG3 ARG 25 18.243 17.626 5.543 212 HD2 ARG 25 HD2 ARG 25 21.217 17.873 4.959 213 HD3 ARG 25 HD3 ARG 25 20.289 16.395 4.654 214 HE ARG 25 HE ARG 25 18.742 17.817 3.244 215 HH11 ARG 25 HH11 ARG 25 22.185 18.671 3.309 216 HH12 ARG 25 HH12 ARG 25 21.964 19.609 1.827 217 HH21 ARG 25 HH21 ARG 25 18.686 19.004 1.458 218 HH22 ARG 25 HH22 ARG 25 20.167 19.806 0.873 219 H ALA 26 H ALA 26 18.393 20.325 9.475 220 HA ALA 26 HA ALA 26 19.166 23.181 9.273 221 HB1 ALA 26 HB1 ALA 26 17.670 22.483 11.107 222 HB2 ALA 26 HB2 ALA 26 18.917 21.351 11.686 223 HB3 ALA 26 HB3 ALA 26 19.226 23.098 11.707 224 H GLU 27 H GLU 27 21.180 23.784 9.011 225 HA GLU 27 HA GLU 27 23.504 21.965 9.503 226 HB2 GLU 27 HB2 GLU 27 23.154 24.565 7.984 227 HB3 GLU 27 HB3 GLU 27 24.736 23.864 8.279 228 HG2 GLU 27 HG2 GLU 27 22.577 22.295 6.828 229 HG3 GLU 27 HG3 GLU 27 23.586 23.496 6.018 230 H GLY 28 H GLY 28 25.476 23.229 10.363 231 HA2 GLY 28 HA2 GLY 28 24.946 24.655 12.847 232 HA3 GLY 28 HA3 GLY 28 26.503 24.436 12.045 233 H GLY 29 H GLY 29 23.536 26.354 12.046 234 HA2 GLY 29 HA2 GLY 29 23.516 28.725 12.052 235 HA3 GLY 29 HA3 GLY 29 25.054 28.776 11.203 236 H ALA 30 H ALA 30 22.651 26.629 9.846 237 HA ALA 30 HA ALA 30 21.425 28.592 8.074 238 HB1 ALA 30 HB1 ALA 30 23.382 26.541 6.923 239 HB2 ALA 30 HB2 ALA 30 22.363 27.656 5.994 240 HB3 ALA 30 HB3 ALA 30 23.662 28.288 7.012 241 H VAL 31 H VAL 31 19.979 27.497 6.445 242 HA VAL 31 HA VAL 31 19.254 24.664 7.118 243 HB VAL 31 HB VAL 31 17.324 26.906 6.502 244 HG11 VAL 31 HG11 VAL 31 15.551 25.115 6.645 245 HG12 VAL 31 HG12 VAL 31 16.526 25.031 5.186 246 HG13 VAL 31 HG13 VAL 31 16.829 23.897 6.531 247 HG21 VAL 31 HG21 VAL 31 17.985 26.576 8.892 248 HG22 VAL 31 HG22 VAL 31 16.272 26.225 8.609 249 HG23 VAL 31 HG23 VAL 31 17.438 24.885 8.798 250 H ARG 32 H ARG 32 18.911 23.299 5.459 251 HA ARG 32 HA ARG 32 19.263 24.256 2.637 252 HB2 ARG 32 HB2 ARG 32 20.417 21.753 3.929 253 HB3 ARG 32 HB3 ARG 32 20.399 22.074 2.191 254 HG2 ARG 32 HG2 ARG 32 21.827 24.019 2.441 255 HG3 ARG 32 HG3 ARG 32 21.701 23.952 4.199 256 HD2 ARG 32 HD2 ARG 32 23.812 23.092 3.698 257 HD3 ARG 32 HD3 ARG 32 22.821 21.697 4.160 258 HE ARG 32 HE ARG 32 22.654 21.739 1.387 259 HH11 ARG 32 HH11 ARG 32 25.247 21.330 3.737 260 HH12 ARG 32 HH12 ARG 32 26.285 20.563 2.549 261 HH21 ARG 32 HH21 ARG 32 23.988 20.748 -0.026 262 HH22 ARG 32 HH22 ARG 32 25.575 20.210 0.489 263 H VAL 33 H VAL 33 18.053 23.244 1.070 264 HA VAL 33 HA VAL 33 15.712 21.558 1.923 265 HB VAL 33 HB VAL 33 15.648 24.201 0.387 266 HG11 VAL 33 HG11 VAL 33 13.924 22.690 -0.477 267 HG12 VAL 33 HG12 VAL 33 13.375 22.361 1.185 268 HG13 VAL 33 HG13 VAL 33 13.199 23.985 0.469 269 HG21 VAL 33 HG21 VAL 33 14.568 23.571 3.159 270 HG22 VAL 33 HG22 VAL 33 15.927 24.637 2.774 271 HG23 VAL 33 HG23 VAL 33 14.306 25.072 2.251 272 H THR 34 H THR 34 15.061 20.071 0.315 273 HA THR 34 HA THR 34 16.118 20.504 -2.457 274 HB THR 34 HB THR 34 16.048 17.747 -1.231 275 HG1 THR 34 HG1 THR 34 17.581 18.653 -0.150 276 HG21 THR 34 HG21 THR 34 17.377 18.870 -3.727 277 HG22 THR 34 HG22 THR 34 17.599 17.227 -3.102 278 HG23 THR 34 HG23 THR 34 16.015 17.733 -3.668 279 H THR 35 H THR 35 14.837 20.163 -4.115 280 HA THR 35 HA THR 35 11.979 19.674 -3.629 281 HB THR 35 HB THR 35 11.647 20.425 -5.877 282 HG1 THR 35 HG1 THR 35 13.444 20.963 -7.151 283 HG21 THR 35 HG21 THR 35 12.519 22.663 -5.812 284 HG22 THR 35 HG22 THR 35 12.100 22.179 -4.158 285 HG23 THR 35 HG23 THR 35 13.803 22.201 -4.678 286 H LEU 36 H LEU 36 10.719 18.431 -5.155 287 HA LEU 36 HA LEU 36 11.229 15.718 -5.575 288 HB2 LEU 36 HB2 LEU 36 9.046 16.781 -5.674 289 HB3 LEU 36 HB3 LEU 36 9.545 17.770 -7.051 290 HG LEU 36 HG LEU 36 9.629 15.802 -8.499 291 HD11 LEU 36 HD11 LEU 36 8.573 14.270 -6.080 292 HD12 LEU 36 HD12 LEU 36 8.643 13.659 -7.748 293 HD13 LEU 36 HD13 LEU 36 10.139 14.005 -6.874 294 HD21 LEU 36 HD21 LEU 36 7.232 15.423 -8.629 295 HD22 LEU 36 HD22 LEU 36 7.017 15.989 -6.958 296 HD23 LEU 36 HD23 LEU 36 7.544 17.125 -8.225 297 H PHE 37 H PHE 37 12.380 18.420 -7.510 298 HA PHE 37 HA PHE 37 13.342 16.624 -9.661 299 HB2 PHE 37 HB2 PHE 37 13.171 19.642 -9.603 300 HB3 PHE 37 HB3 PHE 37 13.550 18.628 -10.997 301 HD1 PHE 37 HD1 PHE 37 10.876 20.136 -9.069 302 HD2 PHE 37 HD2 PHE 37 11.781 16.833 -11.691 303 HE1 PHE 37 HE1 PHE 37 8.443 19.729 -9.403 304 HE2 PHE 37 HE2 PHE 37 9.357 16.433 -12.023 305 HZ PHE 37 HZ PHE 37 7.688 17.864 -10.842 306 H ASP 38 H ASP 38 14.558 17.037 -6.880 307 HA ASP 38 HA ASP 38 16.540 16.927 -5.910 308 HB2 ASP 38 HB2 ASP 38 16.737 15.151 -7.683 309 HB3 ASP 38 HB3 ASP 38 17.750 16.266 -8.609 310 H GLU 39 H GLU 39 15.746 19.602 -7.009 311 HA GLU 39 HA GLU 39 18.367 20.953 -7.356 312 HB2 GLU 39 HB2 GLU 39 15.560 22.134 -7.215 313 HB3 GLU 39 HB3 GLU 39 17.069 23.005 -7.527 314 HG2 GLU 39 HG2 GLU 39 17.422 21.452 -9.525 315 HG3 GLU 39 HG3 GLU 39 15.749 20.915 -9.295 316 H GLU 40 H GLU 40 19.555 21.442 -5.603 317 HA GLU 40 HA GLU 40 18.287 21.651 -2.956 318 HB2 GLU 40 HB2 GLU 40 20.325 20.341 -3.142 319 HB3 GLU 40 HB3 GLU 40 21.217 21.767 -3.714 320 HG2 GLU 40 HG2 GLU 40 20.845 22.895 -1.570 321 HG3 GLU 40 HG3 GLU 40 19.731 21.637 -1.048 322 H HIS 41 H HIS 41 18.118 23.444 -1.747 323 HA HIS 41 HA HIS 41 19.172 26.074 -2.688 324 HB2 HIS 41 HB2 HIS 41 16.534 25.637 -1.252 325 HB3 HIS 41 HB3 HIS 41 17.169 27.154 -1.905 326 HD2 HIS 41 HD2 HIS 41 15.315 23.969 -2.906 327 HE1 HIS 41 HE1 HIS 41 15.542 26.342 -6.447 328 HE2 HIS 41 HE2 HIS 41 14.531 24.242 -5.406 329 H ALA 42 H ALA 42 19.858 27.483 -0.950 330 HA ALA 42 HA ALA 42 19.998 26.315 1.773 331 HB1 ALA 42 HB1 ALA 42 22.422 26.607 1.854 332 HB2 ALA 42 HB2 ALA 42 21.977 25.488 0.550 333 HB3 ALA 42 HB3 ALA 42 22.435 27.161 0.161 334 H PHE 43 H PHE 43 20.032 27.718 3.391 335 HA PHE 43 HA PHE 43 20.049 30.666 2.850 336 HB2 PHE 43 HB2 PHE 43 17.887 29.061 4.242 337 HB3 PHE 43 HB3 PHE 43 17.936 30.816 4.084 338 HD1 PHE 43 HD1 PHE 43 17.045 27.683 2.480 339 HD2 PHE 43 HD2 PHE 43 17.789 31.878 1.780 340 HE1 PHE 43 HE1 PHE 43 15.960 27.507 0.253 341 HE2 PHE 43 HE2 PHE 43 16.709 31.693 -0.455 342 HZ PHE 43 HZ PHE 43 15.814 29.504 -1.229 343 HA PRO 44 HA PRO 44 22.470 30.205 6.693 344 HB2 PRO 44 HB2 PRO 44 23.015 33.079 6.034 345 HB3 PRO 44 HB3 PRO 44 24.137 31.816 6.616 346 HG2 PRO 44 HG2 PRO 44 24.140 32.509 3.998 347 HG3 PRO 44 HG3 PRO 44 24.198 30.781 4.451 348 HD2 PRO 44 HD2 PRO 44 21.774 32.413 3.642 349 HD3 PRO 44 HD3 PRO 44 22.299 30.809 3.053 350 H GLY 45 H GLY 45 22.154 30.883 8.796 351 HA2 GLY 45 HA2 GLY 45 21.377 32.077 10.601 352 HA3 GLY 45 HA3 GLY 45 20.705 33.299 9.515 353 H LEU 46 H LEU 46 19.460 30.259 8.700 354 HA LEU 46 HA LEU 46 16.927 30.793 10.181 355 HB2 LEU 46 HB2 LEU 46 17.474 28.993 7.788 356 HB3 LEU 46 HB3 LEU 46 15.906 29.241 8.549 357 HG LEU 46 HG LEU 46 17.527 31.315 7.016 358 HD11 LEU 46 HD11 LEU 46 16.248 29.560 5.741 359 HD12 LEU 46 HD12 LEU 46 14.766 30.145 6.519 360 HD13 LEU 46 HD13 LEU 46 15.689 31.217 5.446 361 HD21 LEU 46 HD21 LEU 46 14.875 31.639 8.497 362 HD22 LEU 46 HD22 LEU 46 16.387 32.521 8.831 363 HD23 LEU 46 HD23 LEU 46 15.518 32.790 7.316 364 H ALA 47 H ALA 47 15.701 29.077 10.977 365 HA ALA 47 HA ALA 47 16.931 26.435 11.477 366 HB1 ALA 47 HB1 ALA 47 16.183 26.481 13.852 367 HB2 ALA 47 HB2 ALA 47 17.412 27.723 13.532 368 HB3 ALA 47 HB3 ALA 47 15.695 28.174 13.666 369 H ILE 48 H ILE 48 15.282 24.791 11.947 370 HA ILE 48 HA ILE 48 12.840 25.256 10.381 371 HB ILE 48 HB ILE 48 13.736 22.774 11.878 372 HG12 ILE 48 HG12 ILE 48 14.022 23.382 8.902 373 HG13 ILE 48 HG13 ILE 48 15.342 23.493 10.063 374 HG21 ILE 48 HG21 ILE 48 11.588 23.206 9.731 375 HG22 ILE 48 HG22 ILE 48 12.072 21.627 10.380 376 HG23 ILE 48 HG23 ILE 48 11.303 22.793 11.437 377 HD11 ILE 48 HD11 ILE 48 14.994 21.055 10.636 378 HD12 ILE 48 HD12 ILE 48 13.901 20.963 9.226 379 HD13 ILE 48 HD13 ILE 48 15.600 21.398 9.017 380 H GLY 49 H GLY 49 11.085 26.201 11.232 381 HA2 GLY 49 HA2 GLY 49 10.824 26.455 14.167 382 HA3 GLY 49 HA3 GLY 49 10.029 27.411 12.918 383 H ARG 50 H ARG 50 8.786 25.423 11.377 384 HA ARG 50 HA ARG 50 7.195 23.713 13.161 385 HB2 ARG 50 HB2 ARG 50 6.038 25.889 13.317 386 HB3 ARG 50 HB3 ARG 50 5.894 25.958 11.558 387 HG2 ARG 50 HG2 ARG 50 4.403 24.017 11.555 388 HG3 ARG 50 HG3 ARG 50 4.645 23.791 13.302 389 HD2 ARG 50 HD2 ARG 50 3.576 25.959 13.744 390 HD3 ARG 50 HD3 ARG 50 3.382 26.255 12.025 391 HE ARG 50 HE ARG 50 1.894 24.274 13.692 392 HH11 ARG 50 HH11 ARG 50 2.241 25.593 10.421 393 HH12 ARG 50 HH12 ARG 50 0.808 24.732 9.904 394 HH21 ARG 50 HH21 ARG 50 0.190 23.228 12.893 395 HH22 ARG 50 HH22 ARG 50 -0.212 23.373 11.176 396 H VAL 51 H VAL 51 6.195 22.050 12.185 397 HA VAL 51 HA VAL 51 6.359 21.691 9.214 398 HB VAL 51 HB VAL 51 6.872 19.541 11.303 399 HG11 VAL 51 HG11 VAL 51 5.870 18.565 9.346 400 HG12 VAL 51 HG12 VAL 51 6.936 19.475 8.255 401 HG13 VAL 51 HG13 VAL 51 7.594 18.202 9.302 402 HG21 VAL 51 HG21 VAL 51 9.185 19.511 10.513 403 HG22 VAL 51 HG22 VAL 51 8.861 20.861 9.399 404 HG23 VAL 51 HG23 VAL 51 8.813 21.097 11.160 405 H ASP 52 H ASP 52 4.413 21.088 8.339 406 HA ASP 52 HA ASP 52 2.289 19.870 10.052 407 HB2 ASP 52 HB2 ASP 52 2.035 22.292 10.098 408 HB3 ASP 52 HB3 ASP 52 2.011 22.364 8.338 409 H LEU 53 H LEU 53 1.976 17.984 9.136 410 HA LEU 53 HA LEU 53 2.516 17.498 6.297 411 HB2 LEU 53 HB2 LEU 53 1.532 15.574 8.451 412 HB3 LEU 53 HB3 LEU 53 2.143 15.172 6.856 413 HG LEU 53 HG LEU 53 3.852 14.597 8.236 414 HD11 LEU 53 HD11 LEU 53 4.605 15.967 6.321 415 HD12 LEU 53 HD12 LEU 53 4.680 17.385 7.385 416 HD13 LEU 53 HD13 LEU 53 5.737 15.989 7.684 417 HD21 LEU 53 HD21 LEU 53 4.853 15.842 10.036 418 HD22 LEU 53 HD22 LEU 53 3.791 17.228 9.758 419 HD23 LEU 53 HD23 LEU 53 3.125 15.670 10.320 420 H ARG 54 H ARG 54 -0.317 17.977 8.302 421 HA ARG 54 HA ARG 54 -2.276 16.903 6.403 422 HB2 ARG 54 HB2 ARG 54 -2.705 17.038 8.817 423 HB3 ARG 54 HB3 ARG 54 -2.554 18.805 8.773 424 HG2 ARG 54 HG2 ARG 54 -4.544 18.993 7.363 425 HG3 ARG 54 HG3 ARG 54 -4.621 17.231 7.172 426 HD2 ARG 54 HD2 ARG 54 -6.287 18.007 8.768 427 HD3 ARG 54 HD3 ARG 54 -5.114 16.937 9.537 428 HE ARG 54 HE ARG 54 -4.330 19.708 9.818 429 HH11 ARG 54 HH11 ARG 54 -6.620 17.430 11.174 430 HH12 ARG 54 HH12 ARG 54 -6.683 18.270 12.699 431 HH21 ARG 54 HH21 ARG 54 -4.460 20.727 11.782 432 HH22 ARG 54 HH22 ARG 54 -5.495 20.089 13.026 433 H SER 55 H SER 55 -1.019 20.153 7.167 434 HA SER 55 HA SER 55 -2.446 21.444 4.959 435 HB2 SER 55 HB2 SER 55 -1.846 22.576 7.094 436 HB3 SER 55 HB3 SER 55 -0.134 22.459 6.642 437 HG SER 55 HG SER 55 -1.188 24.471 6.097 438 H GLY 56 H GLY 56 0.790 20.040 5.385 439 HA2 GLY 56 HA2 GLY 56 2.342 19.401 3.765 440 HA3 GLY 56 HA3 GLY 56 1.367 20.151 2.494 441 H VAL 57 H VAL 57 2.779 21.478 5.528 442 HA VAL 57 HA VAL 57 4.342 23.483 3.951 443 HB VAL 57 HB VAL 57 2.406 24.152 6.194 444 HG11 VAL 57 HG11 VAL 57 3.032 26.514 5.730 445 HG12 VAL 57 HG12 VAL 57 4.348 25.586 6.434 446 HG13 VAL 57 HG13 VAL 57 4.355 25.936 4.692 447 HG21 VAL 57 HG21 VAL 57 1.284 23.864 4.002 448 HG22 VAL 57 HG22 VAL 57 1.321 25.568 4.459 449 HG23 VAL 57 HG23 VAL 57 2.462 24.957 3.245 450 H ILE 58 H ILE 58 6.223 24.112 4.749 451 HA ILE 58 HA ILE 58 7.000 23.421 7.548 452 HB ILE 58 HB ILE 58 8.709 23.261 5.051 453 HG12 ILE 58 HG12 ILE 58 8.223 21.081 7.124 454 HG13 ILE 58 HG13 ILE 58 7.194 21.262 5.715 455 HG21 ILE 58 HG21 ILE 58 10.591 22.650 6.602 456 HG22 ILE 58 HG22 ILE 58 10.054 24.303 6.812 457 HG23 ILE 58 HG23 ILE 58 9.547 23.056 7.977 458 HD11 ILE 58 HD11 ILE 58 10.167 20.654 5.649 459 HD12 ILE 58 HD12 ILE 58 8.820 19.586 5.248 460 HD13 ILE 58 HD13 ILE 58 9.160 20.991 4.216 461 H SER 59 H SER 59 7.512 25.180 8.703 462 HA SER 59 HA SER 59 7.977 27.786 7.293 463 HB2 SER 59 HB2 SER 59 5.953 27.735 8.679 464 HB3 SER 59 HB3 SER 59 6.946 27.302 10.094 465 HG SER 59 HG SER 59 6.504 29.574 9.912 466 H LEU 60 H LEU 60 9.951 28.579 7.365 467 HA LEU 60 HA LEU 60 11.890 27.682 9.456 468 HB2 LEU 60 HB2 LEU 60 12.411 29.234 6.908 469 HB3 LEU 60 HB3 LEU 60 13.612 28.569 8.022 470 HG LEU 60 HG LEU 60 11.727 26.992 6.210 471 HD11 LEU 60 HD11 LEU 60 13.826 26.288 5.130 472 HD12 LEU 60 HD12 LEU 60 13.605 28.042 5.051 473 HD13 LEU 60 HD13 LEU 60 14.747 27.353 6.216 474 HD21 LEU 60 HD21 LEU 60 13.780 25.977 8.215 475 HD22 LEU 60 HD22 LEU 60 12.028 25.689 8.242 476 HD23 LEU 60 HD23 LEU 60 13.004 24.987 6.955 477 H ILE 61 H ILE 61 12.919 29.097 10.757 478 HA ILE 61 HA ILE 61 11.902 31.902 10.925 479 HB ILE 61 HB ILE 61 11.667 31.718 13.311 480 HG12 ILE 61 HG12 ILE 61 11.539 29.067 14.047 481 HG13 ILE 61 HG13 ILE 61 12.922 29.036 12.951 482 HG21 ILE 61 HG21 ILE 61 9.739 31.256 11.852 483 HG22 ILE 61 HG22 ILE 61 10.084 29.516 11.951 484 HG23 ILE 61 HG23 ILE 61 9.639 30.421 13.411 485 HD11 ILE 61 HD11 ILE 61 14.053 30.746 14.298 486 HD12 ILE 61 HD12 ILE 61 12.624 30.886 15.352 487 HD13 ILE 61 HD13 ILE 61 13.571 29.381 15.309 488 H GLU 62 H GLU 62 13.222 33.319 12.234 489 HA GLU 62 HA GLU 62 16.002 33.157 11.460 490 HB2 GLU 62 HB2 GLU 62 14.642 35.126 13.356 491 HB3 GLU 62 HB3 GLU 62 16.245 35.261 12.654 492 HG2 GLU 62 HG2 GLU 62 14.996 36.644 11.309 493 HG3 GLU 62 HG3 GLU 62 15.138 35.180 10.348 494 H GLU 63 H GLU 63 17.557 32.055 12.433 495 HA GLU 63 HA GLU 63 17.274 30.725 14.943 496 HB2 GLU 63 HB2 GLU 63 18.687 30.028 12.978 497 HB3 GLU 63 HB3 GLU 63 19.797 31.339 13.379 498 HG2 GLU 63 HG2 GLU 63 20.017 30.284 15.706 499 HG3 GLU 63 HG3 GLU 63 19.096 28.911 15.095 500 H GLN 64 H GLN 64 17.815 31.299 17.003 501 HA GLN 64 HA GLN 64 18.418 34.117 17.479 502 HB2 GLN 64 HB2 GLN 64 17.660 31.871 19.389 503 HB3 GLN 64 HB3 GLN 64 17.787 33.573 19.823 504 HG2 GLN 64 HG2 GLN 64 15.812 32.393 17.818 505 HG3 GLN 64 HG3 GLN 64 15.444 32.885 19.455 506 HE21 GLN 64 HE21 GLN 64 15.408 33.962 16.223 507 HE22 GLN 64 HE22 GLN 64 15.270 35.682 16.582 508 H ASN 65 H ASN 65 20.392 31.592 16.966 509 HA ASN 65 HA ASN 65 22.433 32.014 18.965 510 HB2 ASN 65 HB2 ASN 65 22.353 30.552 16.281 511 HB3 ASN 65 HB3 ASN 65 23.640 30.425 17.449 512 HD21 ASN 65 HD21 ASN 65 21.815 28.234 16.404 513 HD22 ASN 65 HD22 ASN 65 21.119 27.601 17.887 514 H ARG 66 H ARG 66 21.578 33.605 16.015 515 HA ARG 66 HA ARG 66 24.215 34.335 15.034 516 HB2 ARG 66 HB2 ARG 66 21.490 35.495 14.345 517 HB3 ARG 66 HB3 ARG 66 22.970 35.670 13.411 518 HG2 ARG 66 HG2 ARG 66 21.389 33.111 13.868 519 HG3 ARG 66 HG3 ARG 66 21.482 34.034 12.372 520 HD2 ARG 66 HD2 ARG 66 23.791 32.553 13.691 521 HD3 ARG 66 HD3 ARG 66 22.836 31.975 12.317 522 HE ARG 66 HE ARG 66 23.858 34.489 11.574 523 HH11 ARG 66 HH11 ARG 66 25.199 31.351 12.345 524 HH12 ARG 66 HH12 ARG 66 26.566 31.572 11.282 525 HH21 ARG 66 HH21 ARG 66 25.619 34.704 10.237 526 HH22 ARG 66 HH22 ARG 66 26.794 33.424 10.125 527 H1 GLY -3 H1 GLY -3 -3.362 4.386 2.452 528 H2 GLY -3 H2 GLY -3 -3.528 4.805 4.027 529 H3 GLY -3 H3 GLY -3 -2.655 3.479 3.620 530 HA2 GLY -3 HA2 GLY -3 -1.155 5.228 4.219 531 HA3 GLY -3 HA3 GLY -3 -1.012 4.827 2.494 532 HA PRO -2 HA PRO -2 -1.336 9.432 2.761 533 HB2 PRO -2 HB2 PRO -2 0.171 8.991 0.179 534 HB3 PRO -2 HB3 PRO -2 0.398 10.266 1.409 535 HG2 PRO -2 HG2 PRO -2 2.078 8.150 1.353 536 HG3 PRO -2 HG3 PRO -2 1.410 8.708 2.933 537 HD2 PRO -2 HD2 PRO -2 0.445 6.412 1.184 538 HD3 PRO -2 HD3 PRO -2 0.750 6.451 2.951 539 H GLY -1 H GLY -1 -2.391 10.998 1.471 540 HA2 GLY -1 HA2 GLY -1 -3.649 10.511 -1.084 541 HA3 GLY -1 HA3 GLY -1 -4.810 10.325 0.236 542 H SER 0 H SER 0 -6.005 12.174 0.349 543 HA SER 0 HA SER 0 -5.079 14.844 -0.195 544 HB2 SER 0 HB2 SER 0 -7.380 13.918 1.577 545 HB3 SER 0 HB3 SER 0 -7.138 15.551 0.924 546 HG SER 0 HG SER 0 -8.606 14.316 -0.352 547 H MET 1 H MET 1 -4.992 12.823 2.686 548 HA MET 1 HA MET 1 -3.564 14.926 4.263 549 HB2 MET 1 HB2 MET 1 -4.703 12.215 5.043 550 HB3 MET 1 HB3 MET 1 -3.630 13.166 6.069 551 HG2 MET 1 HG2 MET 1 -5.222 15.040 6.069 552 HG3 MET 1 HG3 MET 1 -6.302 14.128 5.013 553 HE1 MET 1 HE1 MET 1 -4.267 12.676 8.195 554 HE2 MET 1 HE2 MET 1 -4.701 14.350 8.617 555 HE3 MET 1 HE3 MET 1 -5.464 12.981 9.457 556 H CYS 2 H CYS 2 -1.572 14.512 5.144 557 HA CYS 2 HA CYS 2 -0.088 12.043 4.489 558 HB2 CYS 2 HB2 CYS 2 0.791 14.871 3.942 559 HB3 CYS 2 HB3 CYS 2 1.994 13.693 4.474 560 H MET 3 H MET 3 1.521 11.564 6.044 561 HA MET 3 HA MET 3 1.373 12.910 8.696 562 HB2 MET 3 HB2 MET 3 0.902 9.952 8.133 563 HB3 MET 3 HB3 MET 3 1.305 10.586 9.729 564 HG2 MET 3 HG2 MET 3 -0.793 11.124 10.161 565 HG3 MET 3 HG3 MET 3 -0.923 12.096 8.711 566 HE1 MET 3 HE1 MET 3 -1.377 8.585 10.335 567 HE2 MET 3 HE2 MET 3 -2.062 7.615 9.014 568 HE3 MET 3 HE3 MET 3 -0.362 8.109 8.951 569 H ALA 4 H ALA 4 3.100 12.282 10.114 570 HA ALA 4 HA ALA 4 5.441 10.934 8.872 571 HB1 ALA 4 HB1 ALA 4 6.956 12.663 9.783 572 HB2 ALA 4 HB2 ALA 4 5.808 13.375 8.650 573 HB3 ALA 4 HB3 ALA 4 5.560 13.579 10.390 574 H LYS 5 H LYS 5 7.150 10.539 10.606 575 HA LYS 5 HA LYS 5 6.000 10.212 13.321 576 HB2 LYS 5 HB2 LYS 5 7.185 8.166 13.713 577 HB3 LYS 5 HB3 LYS 5 6.132 7.981 12.318 578 HG2 LYS 5 HG2 LYS 5 8.135 8.240 10.812 579 HG3 LYS 5 HG3 LYS 5 9.157 8.424 12.257 580 HD2 LYS 5 HD2 LYS 5 8.310 6.192 13.050 581 HD3 LYS 5 HD3 LYS 5 7.500 5.975 11.488 582 HE2 LYS 5 HE2 LYS 5 9.656 6.059 10.330 583 HE3 LYS 5 HE3 LYS 5 10.490 6.509 11.818 584 HZ1 LYS 5 HZ1 LYS 5 9.091 3.926 11.352 585 HZ2 LYS 5 HZ2 LYS 5 10.712 4.133 11.411 586 HZ3 LYS 5 HZ3 LYS 5 9.805 4.368 12.758 587 H VAL 6 H VAL 6 7.227 10.740 15.006 588 HA VAL 6 HA VAL 6 9.652 12.381 14.461 589 HB VAL 6 HB VAL 6 7.691 12.329 16.761 590 HG11 VAL 6 HG11 VAL 6 9.061 14.180 17.759 591 HG12 VAL 6 HG12 VAL 6 9.865 12.619 17.831 592 HG13 VAL 6 HG13 VAL 6 10.353 13.811 16.605 593 HG21 VAL 6 HG21 VAL 6 7.161 13.650 14.674 594 HG22 VAL 6 HG22 VAL 6 7.322 14.638 16.126 595 HG23 VAL 6 HG23 VAL 6 8.647 14.584 14.953 596 H VAL 7 H VAL 7 11.625 11.908 15.345 597 HA VAL 7 HA VAL 7 11.809 9.766 17.385 598 HB VAL 7 HB VAL 7 12.220 8.687 15.245 599 HG11 VAL 7 HG11 VAL 7 14.199 9.146 13.883 600 HG12 VAL 7 HG12 VAL 7 13.155 10.573 13.935 601 HG13 VAL 7 HG13 VAL 7 14.627 10.519 14.919 602 HG21 VAL 7 HG21 VAL 7 14.801 8.891 16.845 603 HG22 VAL 7 HG22 VAL 7 13.403 7.878 17.274 604 HG23 VAL 7 HG23 VAL 7 14.297 7.570 15.781 605 H LEU 8 H LEU 8 13.324 9.947 18.888 606 HA LEU 8 HA LEU 8 15.457 11.969 18.791 607 HB2 LEU 8 HB2 LEU 8 14.758 13.186 20.737 608 HB3 LEU 8 HB3 LEU 8 13.439 13.171 19.589 609 HG LEU 8 HG LEU 8 12.700 11.017 21.055 610 HD11 LEU 8 HD11 LEU 8 14.055 12.920 23.023 611 HD12 LEU 8 HD12 LEU 8 12.967 11.603 23.470 612 HD13 LEU 8 HD13 LEU 8 14.519 11.230 22.723 613 HD21 LEU 8 HD21 LEU 8 11.265 12.910 20.521 614 HD22 LEU 8 HD22 LEU 8 11.139 12.494 22.226 615 HD23 LEU 8 HD23 LEU 8 12.092 13.920 21.730 616 H THR 9 H THR 9 16.964 11.738 20.584 617 HA THR 9 HA THR 9 16.662 9.374 22.346 618 HB THR 9 HB THR 9 19.232 9.930 20.824 619 HG1 THR 9 HG1 THR 9 17.705 8.935 19.528 620 HG21 THR 9 HG21 THR 9 19.950 7.752 21.797 621 HG22 THR 9 HG22 THR 9 19.688 8.974 23.050 622 HG23 THR 9 HG23 THR 9 18.465 7.700 22.768 623 H LYS 10 H LYS 10 17.048 9.818 24.373 624 HA LYS 10 HA LYS 10 17.681 12.486 25.296 625 HB2 LYS 10 HB2 LYS 10 17.546 9.826 26.786 626 HB3 LYS 10 HB3 LYS 10 17.567 11.417 27.551 627 HG2 LYS 10 HG2 LYS 10 15.420 11.997 26.552 628 HG3 LYS 10 HG3 LYS 10 15.373 10.472 25.658 629 HD2 LYS 10 HD2 LYS 10 15.506 9.254 27.901 630 HD3 LYS 10 HD3 LYS 10 15.252 10.837 28.685 631 HE2 LYS 10 HE2 LYS 10 13.145 11.088 27.316 632 HE3 LYS 10 HE3 LYS 10 13.424 9.454 26.674 633 HZ1 LYS 10 HZ1 LYS 10 13.007 10.099 29.537 634 HZ2 LYS 10 HZ2 LYS 10 11.893 9.422 28.565 635 HZ3 LYS 10 HZ3 LYS 10 13.246 8.598 28.942 636 H ALA 11 H ALA 11 19.339 13.036 26.863 637 HA ALA 11 HA ALA 11 22.033 12.372 26.140 638 HB1 ALA 11 HB1 ALA 11 22.601 13.639 28.196 639 HB2 ALA 11 HB2 ALA 11 21.373 14.483 27.238 640 HB3 ALA 11 HB3 ALA 11 20.894 13.591 28.699 641 H ASP 12 H ASP 12 19.795 10.868 28.405 642 HA ASP 12 HA ASP 12 21.707 9.127 29.724 643 HB2 ASP 12 HB2 ASP 12 18.669 9.143 29.511 644 HB3 ASP 12 HB3 ASP 12 19.599 8.070 30.550 645 H GLY 13 H GLY 13 20.619 9.092 26.545 646 HA2 GLY 13 HA2 GLY 13 21.034 7.511 24.905 647 HA3 GLY 13 HA3 GLY 13 21.338 6.273 26.121 648 H GLY 14 H GLY 14 18.383 7.854 26.767 649 HA2 GLY 14 HA2 GLY 14 16.796 5.489 26.062 650 HA3 GLY 14 HA3 GLY 14 16.231 6.979 26.830 651 H ARG 15 H ARG 15 16.290 5.206 23.925 652 HA ARG 15 HA ARG 15 15.693 7.441 22.113 653 HB2 ARG 15 HB2 ARG 15 16.904 5.403 21.401 654 HB3 ARG 15 HB3 ARG 15 15.451 4.435 21.691 655 HG2 ARG 15 HG2 ARG 15 14.247 5.744 19.947 656 HG3 ARG 15 HG3 ARG 15 15.704 6.722 19.675 657 HD2 ARG 15 HD2 ARG 15 16.970 4.749 18.994 658 HD3 ARG 15 HD3 ARG 15 15.607 3.682 19.358 659 HE ARG 15 HE ARG 15 16.027 5.265 16.959 660 HH11 ARG 15 HH11 ARG 15 13.410 3.838 18.877 661 HH12 ARG 15 HH12 ARG 15 12.338 3.894 17.473 662 HH21 ARG 15 HH21 ARG 15 14.523 5.125 15.272 663 HH22 ARG 15 HH22 ARG 15 12.908 4.529 15.660 664 H VAL 16 H VAL 16 13.742 8.095 21.365 665 HA VAL 16 HA VAL 16 11.235 6.722 22.196 666 HB VAL 16 HB VAL 16 11.709 9.706 22.497 667 HG11 VAL 16 HG11 VAL 16 9.416 9.302 21.776 668 HG12 VAL 16 HG12 VAL 16 9.216 8.054 23.037 669 HG13 VAL 16 HG13 VAL 16 9.442 9.762 23.478 670 HG21 VAL 16 HG21 VAL 16 11.247 7.574 24.615 671 HG22 VAL 16 HG22 VAL 16 12.745 8.516 24.360 672 HG23 VAL 16 HG23 VAL 16 11.283 9.333 24.910 673 H GLU 17 H GLU 17 9.660 6.699 20.665 674 HA GLU 17 HA GLU 17 9.990 8.226 18.152 675 HB2 GLU 17 HB2 GLU 17 11.195 6.175 17.822 676 HB3 GLU 17 HB3 GLU 17 9.841 5.203 18.426 677 HG2 GLU 17 HG2 GLU 17 8.462 5.883 16.510 678 HG3 GLU 17 HG3 GLU 17 9.775 6.906 15.903 679 H ILE 18 H ILE 18 8.097 8.930 17.319 680 HA ILE 18 HA ILE 18 5.494 7.993 18.502 681 HB ILE 18 HB ILE 18 6.397 10.849 18.014 682 HG12 ILE 18 HG12 ILE 18 5.528 9.680 20.689 683 HG13 ILE 18 HG13 ILE 18 7.213 9.615 20.177 684 HG21 ILE 18 HG21 ILE 18 3.704 9.816 19.054 685 HG22 ILE 18 HG22 ILE 18 4.188 11.512 18.923 686 HG23 ILE 18 HG23 ILE 18 3.982 10.557 17.467 687 HD11 ILE 18 HD11 ILE 18 5.638 12.193 20.452 688 HD12 ILE 18 HD12 ILE 18 6.818 11.542 21.595 689 HD13 ILE 18 HD13 ILE 18 7.334 12.043 19.968 690 H GLY 19 H GLY 19 4.197 7.269 16.963 691 HA2 GLY 19 HA2 GLY 19 4.591 7.998 14.116 692 HA3 GLY 19 HA3 GLY 19 3.629 6.677 14.730 693 H ASP 20 H ASP 20 2.548 8.035 12.777 694 HA ASP 20 HA ASP 20 0.751 9.167 12.029 695 HB2 ASP 20 HB2 ASP 20 -0.421 8.497 14.730 696 HB3 ASP 20 HB3 ASP 20 -1.307 8.846 13.249 697 H VAL 21 H VAL 21 2.702 10.901 13.027 698 HA VAL 21 HA VAL 21 1.501 13.122 14.497 699 HB VAL 21 HB VAL 21 4.120 12.915 12.983 700 HG11 VAL 21 HG11 VAL 21 4.830 14.850 14.318 701 HG12 VAL 21 HG12 VAL 21 3.508 15.267 13.228 702 HG13 VAL 21 HG13 VAL 21 3.188 15.029 14.965 703 HG21 VAL 21 HG21 VAL 21 3.439 12.634 15.945 704 HG22 VAL 21 HG22 VAL 21 4.030 11.344 14.872 705 HG23 VAL 21 HG23 VAL 21 5.088 12.688 15.298 706 H LEU 22 H LEU 22 0.462 14.854 13.724 707 HA LEU 22 HA LEU 22 0.262 15.276 10.768 708 HB2 LEU 22 HB2 LEU 22 -1.422 16.382 13.057 709 HB3 LEU 22 HB3 LEU 22 -1.632 16.761 11.344 710 HG LEU 22 HG LEU 22 -2.068 14.061 12.671 711 HD11 LEU 22 HD11 LEU 22 -3.844 15.739 13.037 712 HD12 LEU 22 HD12 LEU 22 -3.921 16.054 11.291 713 HD13 LEU 22 HD13 LEU 22 -4.414 14.471 11.922 714 HD21 LEU 22 HD21 LEU 22 -1.175 13.652 10.421 715 HD22 LEU 22 HD22 LEU 22 -2.906 13.320 10.451 716 HD23 LEU 22 HD23 LEU 22 -2.299 14.822 9.722 717 H GLU 23 H GLU 23 1.398 16.832 13.765 718 HA GLU 23 HA GLU 23 2.911 18.700 12.114 719 HB2 GLU 23 HB2 GLU 23 2.101 20.737 13.133 720 HB3 GLU 23 HB3 GLU 23 0.789 19.918 12.305 721 HG2 GLU 23 HG2 GLU 23 -0.065 19.059 14.471 722 HG3 GLU 23 HG3 GLU 23 1.268 19.864 15.323 723 H VAL 24 H VAL 24 4.517 19.856 13.152 724 HA VAL 24 HA VAL 24 5.163 19.221 15.974 725 HB VAL 24 HB VAL 24 7.214 18.990 13.729 726 HG11 VAL 24 HG11 VAL 24 8.185 19.830 15.851 727 HG12 VAL 24 HG12 VAL 24 7.452 18.475 16.726 728 HG13 VAL 24 HG13 VAL 24 8.716 18.181 15.511 729 HG21 VAL 24 HG21 VAL 24 5.954 16.830 15.462 730 HG22 VAL 24 HG22 VAL 24 5.788 17.012 13.695 731 HG23 VAL 24 HG23 VAL 24 7.353 16.612 14.386 732 H ARG 25 H ARG 25 5.821 20.973 17.047 733 HA ARG 25 HA ARG 25 6.596 23.491 15.574 734 HB2 ARG 25 HB2 ARG 25 4.964 23.085 18.106 735 HB3 ARG 25 HB3 ARG 25 5.736 24.621 17.691 736 HG2 ARG 25 HG2 ARG 25 4.419 24.806 15.656 737 HG3 ARG 25 HG3 ARG 25 3.690 23.202 15.914 738 HD2 ARG 25 HD2 ARG 25 2.146 25.010 16.598 739 HD3 ARG 25 HD3 ARG 25 2.612 23.994 17.968 740 HE ARG 25 HE ARG 25 3.920 25.732 18.887 741 HH11 ARG 25 HH11 ARG 25 2.377 26.957 15.974 742 HH12 ARG 25 HH12 ARG 25 2.836 28.595 16.346 743 HH21 ARG 25 HH21 ARG 25 4.520 27.767 19.253 744 HH22 ARG 25 HH22 ARG 25 4.023 29.049 18.165 745 H ALA 26 H ALA 26 8.405 24.522 16.222 746 HA ALA 26 HA ALA 26 9.758 23.642 18.740 747 HB1 ALA 26 HB1 ALA 26 11.206 23.486 16.769 748 HB2 ALA 26 HB2 ALA 26 10.885 25.190 16.377 749 HB3 ALA 26 HB3 ALA 26 11.757 24.761 17.871 750 H GLU 27 H GLU 27 9.294 24.803 20.396 751 HA GLU 27 HA GLU 27 8.135 27.537 20.264 752 HB2 GLU 27 HB2 GLU 27 8.615 25.714 22.653 753 HB3 GLU 27 HB3 GLU 27 7.634 27.170 22.626 754 HG2 GLU 27 HG2 GLU 27 6.998 24.545 21.242 755 HG3 GLU 27 HG3 GLU 27 6.258 25.183 22.695 756 H GLY 28 H GLY 28 8.972 28.801 22.431 757 HA2 GLY 28 HA2 GLY 28 11.582 29.760 21.857 758 HA3 GLY 28 HA3 GLY 28 10.622 30.132 23.285 759 H GLY 29 H GLY 29 10.825 26.953 23.704 760 HA2 GLY 29 HA2 GLY 29 13.641 26.563 24.454 761 HA3 GLY 29 HA3 GLY 29 12.541 26.783 25.827 762 H ALA 30 H ALA 30 11.224 25.128 23.051 763 HA ALA 30 HA ALA 30 11.807 22.418 23.927 764 HB1 ALA 30 HB1 ALA 30 9.472 21.913 24.634 765 HB2 ALA 30 HB2 ALA 30 10.141 23.184 25.666 766 HB3 ALA 30 HB3 ALA 30 9.010 23.606 24.366 767 H VAL 31 H VAL 31 10.514 20.819 22.655 768 HA VAL 31 HA VAL 31 9.110 22.008 20.296 769 HB VAL 31 HB VAL 31 9.403 20.076 18.953 770 HG11 VAL 31 HG11 VAL 31 11.159 21.827 18.842 771 HG12 VAL 31 HG12 VAL 31 12.122 20.898 20.005 772 HG13 VAL 31 HG13 VAL 31 11.750 20.213 18.411 773 HG21 VAL 31 HG21 VAL 31 9.489 18.292 20.594 774 HG22 VAL 31 HG22 VAL 31 10.908 18.252 19.542 775 HG23 VAL 31 HG23 VAL 31 11.059 18.889 21.200 776 H ARG 32 H ARG 32 7.237 21.034 19.606 777 HA ARG 32 HA ARG 32 5.771 19.272 21.523 778 HB2 ARG 32 HB2 ARG 32 4.831 21.871 20.293 779 HB3 ARG 32 HB3 ARG 32 3.705 20.639 20.871 780 HG2 ARG 32 HG2 ARG 32 4.555 20.825 23.142 781 HG3 ARG 32 HG3 ARG 32 5.889 21.856 22.620 782 HD2 ARG 32 HD2 ARG 32 4.139 23.176 23.693 783 HD3 ARG 32 HD3 ARG 32 4.375 23.629 22.008 784 HE ARG 32 HE ARG 32 2.148 21.832 22.919 785 HH11 ARG 32 HH11 ARG 32 3.069 24.681 20.995 786 HH12 ARG 32 HH12 ARG 32 1.412 24.906 20.477 787 HH21 ARG 32 HH21 ARG 32 0.195 22.073 22.001 788 HH22 ARG 32 HH22 ARG 32 -0.159 23.472 21.020 789 H VAL 33 H VAL 33 4.646 17.691 20.623 790 HA VAL 33 HA VAL 33 4.589 17.366 17.638 791 HB VAL 33 HB VAL 33 5.081 15.311 19.834 792 HG11 VAL 33 HG11 VAL 33 3.898 14.244 17.988 793 HG12 VAL 33 HG12 VAL 33 5.006 14.985 16.810 794 HG13 VAL 33 HG13 VAL 33 5.599 13.759 17.945 795 HG21 VAL 33 HG21 VAL 33 7.071 16.731 19.477 796 HG22 VAL 33 HG22 VAL 33 7.320 15.085 18.926 797 HG23 VAL 33 HG23 VAL 33 7.012 16.377 17.737 798 H THR 34 H THR 34 2.545 16.967 16.804 799 HA THR 34 HA THR 34 0.400 16.050 18.710 800 HB THR 34 HB THR 34 0.109 18.120 16.519 801 HG1 THR 34 HG1 THR 34 1.172 18.903 18.339 802 HG21 THR 34 HG21 THR 34 -1.892 17.035 18.551 803 HG22 THR 34 HG22 THR 34 -2.140 18.480 17.543 804 HG23 THR 34 HG23 THR 34 -1.993 16.897 16.783 805 H THR 35 H THR 35 -0.739 14.375 18.172 806 HA THR 35 HA THR 35 -0.345 13.075 15.528 807 HB THR 35 HB THR 35 -1.192 11.071 16.523 808 HG1 THR 35 HG1 THR 35 -1.514 12.511 18.936 809 HG21 THR 35 HG21 THR 35 1.188 11.574 16.994 810 HG22 THR 35 HG22 THR 35 0.720 12.328 18.536 811 HG23 THR 35 HG23 THR 35 0.422 10.598 18.264 812 H LEU 36 H LEU 36 -2.186 11.933 14.521 813 HA LEU 36 HA LEU 36 -4.497 13.589 14.187 814 HB2 LEU 36 HB2 LEU 36 -5.285 11.936 12.655 815 HB3 LEU 36 HB3 LEU 36 -3.565 12.171 12.443 816 HG LEU 36 HG LEU 36 -3.255 10.018 13.876 817 HD11 LEU 36 HD11 LEU 36 -5.552 9.649 14.686 818 HD12 LEU 36 HD12 LEU 36 -6.165 9.691 13.021 819 HD13 LEU 36 HD13 LEU 36 -5.098 8.374 13.574 820 HD21 LEU 36 HD21 LEU 36 -4.505 9.959 11.089 821 HD22 LEU 36 HD22 LEU 36 -2.792 10.236 11.458 822 HD23 LEU 36 HD23 LEU 36 -3.506 8.663 11.810 823 H PHE 37 H PHE 37 -3.856 11.444 16.728 824 HA PHE 37 HA PHE 37 -6.657 10.877 17.402 825 HB2 PHE 37 HB2 PHE 37 -4.136 10.491 19.064 826 HB3 PHE 37 HB3 PHE 37 -5.711 9.775 19.350 827 HD1 PHE 37 HD1 PHE 37 -2.521 9.318 17.799 828 HD2 PHE 37 HD2 PHE 37 -6.681 8.216 17.467 829 HE1 PHE 37 HE1 PHE 37 -1.889 7.368 16.396 830 HE2 PHE 37 HE2 PHE 37 -6.040 6.245 16.093 831 HZ PHE 37 HZ PHE 37 -3.639 5.830 15.544 832 H ASP 38 H ASP 38 -5.021 13.685 17.429 833 HA ASP 38 HA ASP 38 -4.981 15.622 18.496 834 HB2 ASP 38 HB2 ASP 38 -7.468 14.814 20.021 835 HB3 ASP 38 HB3 ASP 38 -6.848 16.438 19.792 836 H GLU 39 H GLU 39 -3.811 13.081 19.790 837 HA GLU 39 HA GLU 39 -3.285 14.010 22.542 838 HB2 GLU 39 HB2 GLU 39 -2.064 11.735 20.925 839 HB3 GLU 39 HB3 GLU 39 -1.699 12.103 22.605 840 HG2 GLU 39 HG2 GLU 39 -4.410 11.249 21.503 841 HG3 GLU 39 HG3 GLU 39 -3.283 10.241 22.401 842 H GLU 40 H GLU 40 -1.436 14.985 23.240 843 HA GLU 40 HA GLU 40 0.551 15.882 21.207 844 HB2 GLU 40 HB2 GLU 40 -0.925 17.731 21.822 845 HB3 GLU 40 HB3 GLU 40 -0.608 17.447 23.535 846 HG2 GLU 40 HG2 GLU 40 1.809 17.996 23.183 847 HG3 GLU 40 HG3 GLU 40 1.456 18.341 21.487 848 H HIS 41 H HIS 41 2.652 15.820 21.708 849 HA HIS 41 HA HIS 41 3.550 14.964 24.427 850 HB2 HIS 41 HB2 HIS 41 4.931 14.234 21.819 851 HB3 HIS 41 HB3 HIS 41 5.320 13.673 23.432 852 HD2 HIS 41 HD2 HIS 41 2.919 13.067 20.518 853 HE1 HIS 41 HE1 HIS 41 2.052 10.023 23.373 854 HE2 HIS 41 HE2 HIS 41 1.595 10.840 21.007 855 H ALA 42 H ALA 42 5.544 15.956 25.134 856 HA ALA 42 HA ALA 42 6.589 18.199 23.506 857 HB1 ALA 42 HB1 ALA 42 6.259 19.792 25.351 858 HB2 ALA 42 HB2 ALA 42 4.701 19.118 24.833 859 HB3 ALA 42 HB3 ALA 42 5.479 18.543 26.327 860 H PHE 43 H PHE 43 8.653 18.807 23.896 861 HA PHE 43 HA PHE 43 10.245 17.288 25.921 862 HB2 PHE 43 HB2 PHE 43 10.853 17.378 22.961 863 HB3 PHE 43 HB3 PHE 43 11.841 16.637 24.215 864 HD1 PHE 43 HD1 PHE 43 8.904 16.254 22.049 865 HD2 PHE 43 HD2 PHE 43 11.001 14.596 25.437 866 HE1 PHE 43 HE1 PHE 43 7.601 14.151 21.835 867 HE2 PHE 43 HE2 PHE 43 9.681 12.498 25.227 868 HZ PHE 43 HZ PHE 43 7.983 12.269 23.434 869 HA PRO 44 HA PRO 44 11.796 21.581 26.001 870 HB2 PRO 44 HB2 PRO 44 13.019 21.544 28.426 871 HB3 PRO 44 HB3 PRO 44 11.239 21.653 28.231 872 HG2 PRO 44 HG2 PRO 44 12.909 19.175 28.785 873 HG3 PRO 44 HG3 PRO 44 11.427 19.717 29.630 874 HD2 PRO 44 HD2 PRO 44 11.377 17.862 27.621 875 HD3 PRO 44 HD3 PRO 44 10.053 19.049 27.829 876 H GLY 45 H GLY 45 13.747 22.511 25.536 877 HA2 GLY 45 HA2 GLY 45 15.984 22.765 25.091 878 HA3 GLY 45 HA3 GLY 45 16.312 21.283 25.994 879 H LEU 46 H LEU 46 14.129 20.598 23.490 880 HA LEU 46 HA LEU 46 16.285 19.738 21.618 881 HB2 LEU 46 HB2 LEU 46 13.355 18.950 21.675 882 HB3 LEU 46 HB3 LEU 46 14.578 18.359 20.554 883 HG LEU 46 HG LEU 46 14.396 17.794 23.539 884 HD11 LEU 46 HD11 LEU 46 14.117 15.484 22.789 885 HD12 LEU 46 HD12 LEU 46 12.924 16.508 21.962 886 HD13 LEU 46 HD13 LEU 46 14.367 15.963 21.095 887 HD21 LEU 46 HD21 LEU 46 16.593 16.996 21.575 888 HD22 LEU 46 HD22 LEU 46 16.783 18.006 23.030 889 HD23 LEU 46 HD23 LEU 46 16.382 16.305 23.201 890 H ALA 47 H ALA 47 15.868 19.959 19.359 891 HA ALA 47 HA ALA 47 14.018 22.066 18.410 892 HB1 ALA 47 HB1 ALA 47 15.852 23.091 17.062 893 HB2 ALA 47 HB2 ALA 47 16.157 23.237 18.803 894 HB3 ALA 47 HB3 ALA 47 17.019 22.015 17.844 895 H ILE 48 H ILE 48 13.719 21.931 16.022 896 HA ILE 48 HA ILE 48 13.662 19.148 15.092 897 HB ILE 48 HB ILE 48 12.803 21.687 13.681 898 HG12 ILE 48 HG12 ILE 48 11.012 19.643 15.063 899 HG13 ILE 48 HG13 ILE 48 11.519 21.148 15.815 900 HG21 ILE 48 HG21 ILE 48 13.285 19.863 12.083 901 HG22 ILE 48 HG22 ILE 48 12.322 18.730 13.050 902 HG23 ILE 48 HG23 ILE 48 11.551 20.088 12.207 903 HD11 ILE 48 HD11 ILE 48 9.355 21.540 14.928 904 HD12 ILE 48 HD12 ILE 48 10.493 22.426 13.900 905 HD13 ILE 48 HD13 ILE 48 9.785 20.886 13.344 906 H GLY 49 H GLY 49 15.353 18.195 14.095 907 HA2 GLY 49 HA2 GLY 49 17.615 19.853 13.106 908 HA3 GLY 49 HA3 GLY 49 17.638 18.153 13.543 909 H ARG 50 H ARG 50 15.413 17.250 11.963 910 HA ARG 50 HA ARG 50 16.037 17.960 9.159 911 HB2 ARG 50 HB2 ARG 50 17.627 16.086 10.175 912 HB3 ARG 50 HB3 ARG 50 16.265 15.022 9.878 913 HG2 ARG 50 HG2 ARG 50 17.347 16.830 7.712 914 HG3 ARG 50 HG3 ARG 50 18.205 15.357 8.149 915 HD2 ARG 50 HD2 ARG 50 16.283 13.979 7.577 916 HD3 ARG 50 HD3 ARG 50 15.308 15.395 7.231 917 HE ARG 50 HE ARG 50 16.616 15.912 5.330 918 HH11 ARG 50 HH11 ARG 50 17.665 12.838 6.688 919 HH12 ARG 50 HH12 ARG 50 18.571 12.434 5.260 920 HH21 ARG 50 HH21 ARG 50 17.779 15.367 3.622 921 HH22 ARG 50 HH22 ARG 50 18.667 13.849 3.544 922 H VAL 51 H VAL 51 14.445 17.509 7.719 923 HA VAL 51 HA VAL 51 12.028 15.969 8.591 924 HB VAL 51 HB VAL 51 12.004 18.571 7.008 925 HG11 VAL 51 HG11 VAL 51 9.538 18.419 7.305 926 HG12 VAL 51 HG12 VAL 51 10.182 17.120 6.303 927 HG13 VAL 51 HG13 VAL 51 9.732 16.798 7.992 928 HG21 VAL 51 HG21 VAL 51 11.027 18.074 9.848 929 HG22 VAL 51 HG22 VAL 51 12.460 19.018 9.423 930 HG23 VAL 51 HG23 VAL 51 10.882 19.594 8.913 931 H ASP 52 H ASP 52 11.485 14.411 7.128 932 HA ASP 52 HA ASP 52 12.312 14.694 4.284 933 HB2 ASP 52 HB2 ASP 52 14.120 13.545 5.514 934 HB3 ASP 52 HB3 ASP 52 12.983 12.297 6.022 935 H LEU 53 H LEU 53 10.394 14.701 3.321 936 HA LEU 53 HA LEU 53 8.077 13.285 4.404 937 HB2 LEU 53 HB2 LEU 53 8.347 14.846 1.802 938 HB3 LEU 53 HB3 LEU 53 6.872 14.316 2.581 939 HG LEU 53 HG LEU 53 6.868 16.524 3.046 940 HD11 LEU 53 HD11 LEU 53 6.559 15.211 5.129 941 HD12 LEU 53 HD12 LEU 53 8.270 15.480 5.533 942 HD13 LEU 53 HD13 LEU 53 7.162 16.852 5.417 943 HD21 LEU 53 HD21 LEU 53 9.796 16.597 3.844 944 HD22 LEU 53 HD22 LEU 53 9.139 17.060 2.261 945 HD23 LEU 53 HD23 LEU 53 8.665 17.942 3.721 946 H ARG 54 H ARG 54 10.578 12.449 2.217 947 HA ARG 54 HA ARG 54 9.126 10.521 0.552 948 HB2 ARG 54 HB2 ARG 54 12.093 10.428 1.221 949 HB3 ARG 54 HB3 ARG 54 11.267 9.819 -0.209 950 HG2 ARG 54 HG2 ARG 54 10.925 11.973 -1.096 951 HG3 ARG 54 HG3 ARG 54 11.423 12.799 0.389 952 HD2 ARG 54 HD2 ARG 54 13.255 11.052 -1.291 953 HD3 ARG 54 HD3 ARG 54 13.190 12.823 -1.374 954 HE ARG 54 HE ARG 54 13.569 12.076 1.353 955 HH11 ARG 54 HH11 ARG 54 15.439 12.176 -1.632 956 HH12 ARG 54 HH12 ARG 54 16.960 12.184 -0.782 957 HH21 ARG 54 HH21 ARG 54 15.518 11.942 2.346 958 HH22 ARG 54 HH22 ARG 54 17.008 12.082 1.418 959 H SER 55 H SER 55 11.147 10.332 3.452 960 HA SER 55 HA SER 55 10.506 7.507 4.017 961 HB2 SER 55 HB2 SER 55 11.952 9.612 5.678 962 HB3 SER 55 HB3 SER 55 11.820 7.885 6.061 963 HG SER 55 HG SER 55 13.191 9.088 3.882 964 H GLY 56 H GLY 56 9.262 10.682 4.940 965 HA2 GLY 56 HA2 GLY 56 7.379 11.286 6.152 966 HA3 GLY 56 HA3 GLY 56 7.022 9.590 6.488 967 H VAL 57 H VAL 57 10.013 11.502 7.157 968 HA VAL 57 HA VAL 57 9.758 10.779 10.056 969 HB VAL 57 HB VAL 57 12.200 10.508 8.291 970 HG11 VAL 57 HG11 VAL 57 11.981 10.214 11.307 971 HG12 VAL 57 HG12 VAL 57 13.347 9.646 10.328 972 HG13 VAL 57 HG13 VAL 57 12.988 11.367 10.417 973 HG21 VAL 57 HG21 VAL 57 10.663 8.466 9.967 974 HG22 VAL 57 HG22 VAL 57 10.589 8.596 8.198 975 HG23 VAL 57 HG23 VAL 57 12.103 8.139 8.985 976 H ILE 58 H ILE 58 10.264 12.200 11.530 977 HA ILE 58 HA ILE 58 11.653 14.736 10.793 978 HB ILE 58 HB ILE 58 9.380 14.353 12.763 979 HG12 ILE 58 HG12 ILE 58 9.559 16.146 10.302 980 HG13 ILE 58 HG13 ILE 58 8.777 14.575 10.320 981 HG21 ILE 58 HG21 ILE 58 11.083 16.839 12.236 982 HG22 ILE 58 HG22 ILE 58 9.627 16.788 13.253 983 HG23 ILE 58 HG23 ILE 58 11.052 15.890 13.742 984 HD11 ILE 58 HD11 ILE 58 7.189 15.376 12.075 985 HD12 ILE 58 HD12 ILE 58 7.876 17.016 11.878 986 HD13 ILE 58 HD13 ILE 58 7.082 16.222 10.516 987 H SER 59 H SER 59 13.559 14.872 11.743 988 HA SER 59 HA SER 59 14.207 13.117 14.091 989 HB2 SER 59 HB2 SER 59 15.536 12.745 12.045 990 HB3 SER 59 HB3 SER 59 16.056 14.450 12.089 991 HG SER 59 HG SER 59 17.570 12.982 13.073 992 H LEU 60 H LEU 60 14.557 14.016 16.006 993 HA LEU 60 HA LEU 60 14.841 16.970 16.269 994 HB2 LEU 60 HB2 LEU 60 14.206 14.880 18.363 995 HB3 LEU 60 HB3 LEU 60 14.235 16.624 18.593 996 HG LEU 60 HG LEU 60 12.275 15.138 16.774 997 HD11 LEU 60 HD11 LEU 60 10.631 15.871 18.551 998 HD12 LEU 60 HD12 LEU 60 11.772 14.634 19.064 999 HD13 LEU 60 HD13 LEU 60 12.021 16.313 19.571 1000 HD21 LEU 60 HD21 LEU 60 12.491 18.067 17.561 1001 HD22 LEU 60 HD22 LEU 60 12.609 17.367 15.928 1002 HD23 LEU 60 HD23 LEU 60 11.068 17.343 16.769 1003 H ILE 61 H ILE 61 16.406 17.906 17.505 1004 HA ILE 61 HA ILE 61 18.787 16.315 18.352 1005 HB ILE 61 HB ILE 61 20.303 17.917 17.347 1006 HG12 ILE 61 HG12 ILE 61 18.995 19.316 15.360 1007 HG13 ILE 61 HG13 ILE 61 17.827 19.429 16.682 1008 HG21 ILE 61 HG21 ILE 61 20.116 17.224 15.027 1009 HG22 ILE 61 HG22 ILE 61 19.688 15.884 16.103 1010 HG23 ILE 61 HG23 ILE 61 18.410 16.781 15.250 1011 HD11 ILE 61 HD11 ILE 61 19.494 20.457 18.122 1012 HD12 ILE 61 HD12 ILE 61 20.761 20.213 16.891 1013 HD13 ILE 61 HD13 ILE 61 19.410 21.330 16.587 1014 H GLU 62 H GLU 62 20.231 17.540 19.788 1015 HA GLU 62 HA GLU 62 18.720 18.956 21.872 1016 HB2 GLU 62 HB2 GLU 62 21.677 18.270 21.650 1017 HB3 GLU 62 HB3 GLU 62 20.883 19.037 23.035 1018 HG2 GLU 62 HG2 GLU 62 19.430 17.052 23.311 1019 HG3 GLU 62 HG3 GLU 62 20.211 16.290 21.921 1020 H GLU 63 H GLU 63 18.398 21.079 21.973 1021 HA GLU 63 HA GLU 63 19.237 22.820 19.900 1022 HB2 GLU 63 HB2 GLU 63 17.126 22.981 21.242 1023 HB3 GLU 63 HB3 GLU 63 18.094 23.520 22.618 1024 HG2 GLU 63 HG2 GLU 63 18.884 25.467 21.203 1025 HG3 GLU 63 HG3 GLU 63 17.805 24.920 19.918 1026 H GLN 64 H GLN 64 21.026 23.999 19.597 1027 HA GLN 64 HA GLN 64 23.144 23.956 21.607 1028 HB2 GLN 64 HB2 GLN 64 23.120 24.981 18.744 1029 HB3 GLN 64 HB3 GLN 64 24.554 24.812 19.755 1030 HG2 GLN 64 HG2 GLN 64 22.774 22.511 18.821 1031 HG3 GLN 64 HG3 GLN 64 24.352 22.942 18.180 1032 HE21 GLN 64 HE21 GLN 64 22.795 20.890 20.393 1033 HE22 GLN 64 HE22 GLN 64 24.225 20.467 21.330 1034 H ASN 65 H ASN 65 20.674 25.987 21.399 1035 HA ASN 65 HA ASN 65 21.910 28.589 21.502 1036 HB2 ASN 65 HB2 ASN 65 19.538 28.059 20.798 1037 HB3 ASN 65 HB3 ASN 65 19.166 27.641 22.471 1038 HD21 ASN 65 HD21 ASN 65 20.444 30.330 20.465 1039 HD22 ASN 65 HD22 ASN 65 19.691 31.595 21.449 1040 H ARG 66 H ARG 66 21.469 26.135 23.893 1041 HA ARG 66 HA ARG 66 21.422 27.956 26.210 1042 HB2 ARG 66 HB2 ARG 66 21.324 24.924 26.237 1043 HB3 ARG 66 HB3 ARG 66 20.821 26.033 27.505 1044 HG2 ARG 66 HG2 ARG 66 19.464 25.574 24.818 1045 HG3 ARG 66 HG3 ARG 66 18.860 25.086 26.388 1046 HD2 ARG 66 HD2 ARG 66 18.337 27.317 27.032 1047 HD3 ARG 66 HD3 ARG 66 19.308 28.021 25.733 1048 HE ARG 66 HE ARG 66 17.409 26.470 24.411 1049 HH11 ARG 66 HH11 ARG 66 15.810 27.243 23.403 1050 HH12 ARG 66 HH12 ARG 66 14.939 28.680 23.945 1051 HH21 ARG 66 HH21 ARG 66 17.201 29.289 26.501 1052 HH22 ARG 66 HH22 ARG 66 15.814 29.890 25.623 Start of MODEL 15 1 H1 GLY -3 H1 GLY -3 1.297 1.785 -5.441 2 H2 GLY -3 H2 GLY -3 0.934 2.759 -6.699 3 H3 GLY -3 H3 GLY -3 -0.210 1.771 -6.080 4 HA2 GLY -3 HA2 GLY -3 -0.608 4.030 -5.361 5 HA3 GLY -3 HA3 GLY -3 -0.233 2.962 -3.999 6 HA PRO -2 HA PRO -2 2.707 6.699 -4.272 7 HB2 PRO -2 HB2 PRO -2 1.788 8.263 -2.226 8 HB3 PRO -2 HB3 PRO -2 1.074 8.290 -3.869 9 HG2 PRO -2 HG2 PRO -2 0.103 6.718 -1.445 10 HG3 PRO -2 HG3 PRO -2 -0.854 7.786 -2.508 11 HD2 PRO -2 HD2 PRO -2 -0.803 5.103 -2.891 12 HD3 PRO -2 HD3 PRO -2 -0.816 6.239 -4.283 13 H GLY -1 H GLY -1 1.714 4.552 -1.676 14 HA2 GLY -1 HA2 GLY -1 2.890 3.574 0.070 15 HA3 GLY -1 HA3 GLY -1 4.377 4.159 -0.677 16 H SER 0 H SER 0 5.392 4.833 1.182 17 HA SER 0 HA SER 0 4.212 6.463 3.230 18 HB2 SER 0 HB2 SER 0 7.154 6.072 2.563 19 HB3 SER 0 HB3 SER 0 6.484 6.608 4.115 20 HG SER 0 HG SER 0 5.544 4.586 4.404 21 H MET 1 H MET 1 5.275 7.452 0.102 22 HA MET 1 HA MET 1 6.592 9.891 0.828 23 HB2 MET 1 HB2 MET 1 5.371 8.987 -1.810 24 HB3 MET 1 HB3 MET 1 6.258 10.493 -1.578 25 HG2 MET 1 HG2 MET 1 8.217 9.154 -0.752 26 HG3 MET 1 HG3 MET 1 7.351 7.689 -1.189 27 HE1 MET 1 HE1 MET 1 7.705 11.232 -3.164 28 HE2 MET 1 HE2 MET 1 9.253 10.871 -2.372 29 HE3 MET 1 HE3 MET 1 9.125 10.820 -4.136 30 H CYS 2 H CYS 2 6.046 11.904 0.902 31 HA CYS 2 HA CYS 2 3.472 12.949 -0.056 32 HB2 CYS 2 HB2 CYS 2 3.345 12.481 2.454 33 HB3 CYS 2 HB3 CYS 2 4.615 13.678 2.663 34 H MET 3 H MET 3 3.767 15.547 0.207 35 HA MET 3 HA MET 3 6.505 16.503 -0.127 36 HB2 MET 3 HB2 MET 3 6.156 17.490 -2.317 37 HB3 MET 3 HB3 MET 3 5.974 15.738 -2.395 38 HG2 MET 3 HG2 MET 3 3.427 16.157 -2.153 39 HG3 MET 3 HG3 MET 3 3.782 17.834 -2.536 40 HE1 MET 3 HE1 MET 3 5.124 17.569 -6.229 41 HE2 MET 3 HE2 MET 3 4.748 18.647 -4.862 42 HE3 MET 3 HE3 MET 3 6.143 17.538 -4.776 43 H ALA 4 H ALA 4 6.642 18.839 -0.053 44 HA ALA 4 HA ALA 4 4.248 20.282 0.977 45 HB1 ALA 4 HB1 ALA 4 6.875 19.877 2.483 46 HB2 ALA 4 HB2 ALA 4 5.538 20.905 3.024 47 HB3 ALA 4 HB3 ALA 4 5.305 19.158 2.912 48 H LYS 5 H LYS 5 4.960 22.587 1.644 49 HA LYS 5 HA LYS 5 7.087 23.666 -0.142 50 HB2 LYS 5 HB2 LYS 5 5.803 25.724 -0.466 51 HB3 LYS 5 HB3 LYS 5 5.006 24.299 -1.151 52 HG2 LYS 5 HG2 LYS 5 3.472 24.203 0.790 53 HG3 LYS 5 HG3 LYS 5 4.255 25.636 1.488 54 HD2 LYS 5 HD2 LYS 5 3.609 26.982 -0.442 55 HD3 LYS 5 HD3 LYS 5 2.874 25.583 -1.230 56 HE2 LYS 5 HE2 LYS 5 1.971 26.689 1.457 57 HE3 LYS 5 HE3 LYS 5 1.252 27.146 -0.087 58 HZ1 LYS 5 HZ1 LYS 5 1.301 24.372 0.978 59 HZ2 LYS 5 HZ2 LYS 5 0.000 25.366 0.966 60 HZ3 LYS 5 HZ3 LYS 5 0.631 24.828 -0.441 61 H VAL 6 H VAL 6 8.463 25.064 0.628 62 HA VAL 6 HA VAL 6 8.548 25.604 3.563 63 HB VAL 6 HB VAL 6 10.605 25.734 1.346 64 HG11 VAL 6 HG11 VAL 6 12.281 26.424 3.042 65 HG12 VAL 6 HG12 VAL 6 11.105 27.704 2.722 66 HG13 VAL 6 HG13 VAL 6 10.974 26.728 4.202 67 HG21 VAL 6 HG21 VAL 6 10.654 24.287 4.013 68 HG22 VAL 6 HG22 VAL 6 10.089 23.533 2.504 69 HG23 VAL 6 HG23 VAL 6 11.767 24.081 2.650 70 H VAL 7 H VAL 7 8.489 27.644 4.417 71 HA VAL 7 HA VAL 7 8.581 29.991 2.596 72 HB VAL 7 HB VAL 7 6.235 29.684 3.114 73 HG11 VAL 7 HG11 VAL 7 6.972 29.984 6.060 74 HG12 VAL 7 HG12 VAL 7 5.331 29.974 5.386 75 HG13 VAL 7 HG13 VAL 7 6.325 28.524 5.283 76 HG21 VAL 7 HG21 VAL 7 7.200 32.001 2.925 77 HG22 VAL 7 HG22 VAL 7 5.720 31.903 3.884 78 HG23 VAL 7 HG23 VAL 7 7.283 32.062 4.696 79 H LEU 8 H LEU 8 9.703 31.716 3.257 80 HA LEU 8 HA LEU 8 10.669 32.048 6.000 81 HB2 LEU 8 HB2 LEU 8 13.017 31.960 5.493 82 HB3 LEU 8 HB3 LEU 8 12.278 30.462 4.986 83 HG LEU 8 HG LEU 8 12.164 31.793 2.611 84 HD11 LEU 8 HD11 LEU 8 13.328 33.828 3.414 85 HD12 LEU 8 HD12 LEU 8 14.677 32.837 3.998 86 HD13 LEU 8 HD13 LEU 8 14.339 32.950 2.262 87 HD21 LEU 8 HD21 LEU 8 14.602 30.327 3.685 88 HD22 LEU 8 HD22 LEU 8 13.161 29.584 2.937 89 HD23 LEU 8 HD23 LEU 8 14.230 30.605 1.975 90 H THR 9 H THR 9 11.815 34.131 6.266 91 HA THR 9 HA THR 9 11.492 36.095 4.060 92 HB THR 9 HB THR 9 10.476 36.609 6.875 93 HG1 THR 9 HG1 THR 9 8.480 36.671 5.921 94 HG21 THR 9 HG21 THR 9 9.611 38.733 5.912 95 HG22 THR 9 HG22 THR 9 11.378 38.665 5.864 96 HG23 THR 9 HG23 THR 9 10.438 38.368 4.380 97 H LYS 10 H LYS 10 13.217 37.323 3.802 98 HA LYS 10 HA LYS 10 15.641 36.981 5.329 99 HB2 LYS 10 HB2 LYS 10 14.861 39.064 3.247 100 HB3 LYS 10 HB3 LYS 10 16.507 38.760 3.825 101 HG2 LYS 10 HG2 LYS 10 16.460 36.478 2.909 102 HG3 LYS 10 HG3 LYS 10 14.790 36.709 2.364 103 HD2 LYS 10 HD2 LYS 10 15.611 38.697 0.990 104 HD3 LYS 10 HD3 LYS 10 17.268 38.185 1.388 105 HE2 LYS 10 HE2 LYS 10 16.717 35.911 0.436 106 HE3 LYS 10 HE3 LYS 10 15.116 36.531 -0.002 107 HZ1 LYS 10 HZ1 LYS 10 17.709 37.589 -1.036 108 HZ2 LYS 10 HZ2 LYS 10 16.674 36.640 -1.874 109 HZ3 LYS 10 HZ3 LYS 10 16.233 38.163 -1.446 110 H ALA 11 H ALA 11 16.917 38.680 6.313 111 HA ALA 11 HA ALA 11 15.603 40.332 8.256 112 HB1 ALA 11 HB1 ALA 11 17.920 39.498 8.489 113 HB2 ALA 11 HB2 ALA 11 18.420 40.483 7.085 114 HB3 ALA 11 HB3 ALA 11 17.869 41.268 8.579 115 H ASP 12 H ASP 12 16.492 40.951 4.891 116 HA ASP 12 HA ASP 12 16.004 43.812 4.921 117 HB2 ASP 12 HB2 ASP 12 16.231 41.752 2.678 118 HB3 ASP 12 HB3 ASP 12 16.167 43.493 2.454 119 H GLY 13 H GLY 13 13.821 41.306 5.279 120 HA2 GLY 13 HA2 GLY 13 11.504 41.400 5.355 121 HA3 GLY 13 HA3 GLY 13 11.508 42.927 4.462 122 H GLY 14 H GLY 14 13.420 40.566 2.849 123 HA2 GLY 14 HA2 GLY 14 11.502 40.299 0.669 124 HA3 GLY 14 HA3 GLY 14 13.122 39.591 0.780 125 H ARG 15 H ARG 15 9.777 38.961 1.001 126 HA ARG 15 HA ARG 15 9.974 36.404 2.457 127 HB2 ARG 15 HB2 ARG 15 7.976 37.773 2.638 128 HB3 ARG 15 HB3 ARG 15 7.707 37.683 0.892 129 HG2 ARG 15 HG2 ARG 15 7.314 35.281 1.024 130 HG3 ARG 15 HG3 ARG 15 7.760 35.246 2.738 131 HD2 ARG 15 HD2 ARG 15 5.833 36.562 3.349 132 HD3 ARG 15 HD3 ARG 15 5.447 36.890 1.648 133 HE ARG 15 HE ARG 15 5.359 34.186 1.636 134 HH11 ARG 15 HH11 ARG 15 3.709 36.390 3.838 135 HH12 ARG 15 HH12 ARG 15 2.406 35.257 4.063 136 HH21 ARG 15 HH21 ARG 15 3.811 32.908 1.940 137 HH22 ARG 15 HH22 ARG 15 2.435 33.275 2.990 138 H VAL 16 H VAL 16 10.057 34.400 1.671 139 HA VAL 16 HA VAL 16 10.285 33.890 -1.266 140 HB VAL 16 HB VAL 16 12.351 33.195 0.846 141 HG11 VAL 16 HG11 VAL 16 13.665 32.170 -0.996 142 HG12 VAL 16 HG12 VAL 16 12.199 31.269 -0.648 143 HG13 VAL 16 HG13 VAL 16 12.255 32.339 -2.066 144 HG21 VAL 16 HG21 VAL 16 12.663 35.463 0.059 145 HG22 VAL 16 HG22 VAL 16 13.912 34.434 -0.638 146 HG23 VAL 16 HG23 VAL 16 12.526 34.936 -1.638 147 H GLU 17 H GLU 17 9.665 31.886 -1.912 148 HA GLU 17 HA GLU 17 9.067 29.799 0.091 149 HB2 GLU 17 HB2 GLU 17 7.117 30.755 -2.053 150 HB3 GLU 17 HB3 GLU 17 7.043 29.174 -1.329 151 HG2 GLU 17 HG2 GLU 17 5.614 30.116 0.074 152 HG3 GLU 17 HG3 GLU 17 7.063 30.524 0.967 153 H ILE 18 H ILE 18 9.174 27.694 -0.621 154 HA ILE 18 HA ILE 18 10.204 27.132 -3.374 155 HB ILE 18 HB ILE 18 11.292 25.944 -0.800 156 HG12 ILE 18 HG12 ILE 18 12.882 27.546 -2.838 157 HG13 ILE 18 HG13 ILE 18 12.104 28.328 -1.467 158 HG21 ILE 18 HG21 ILE 18 11.205 24.261 -2.612 159 HG22 ILE 18 HG22 ILE 18 12.031 25.382 -3.714 160 HG23 ILE 18 HG23 ILE 18 12.873 24.714 -2.310 161 HD11 ILE 18 HD11 ILE 18 14.438 27.852 -0.991 162 HD12 ILE 18 HD12 ILE 18 13.342 27.014 0.135 163 HD13 ILE 18 HD13 ILE 18 14.148 26.113 -1.165 164 H GLY 19 H GLY 19 8.866 25.750 -4.338 165 HA2 GLY 19 HA2 GLY 19 6.869 24.202 -2.776 166 HA3 GLY 19 HA3 GLY 19 6.849 24.507 -4.507 167 H ASP 20 H ASP 20 6.246 22.078 -3.693 168 HA ASP 20 HA ASP 20 6.623 19.871 -3.961 169 HB2 ASP 20 HB2 ASP 20 8.603 20.726 -6.087 170 HB3 ASP 20 HB3 ASP 20 7.667 19.243 -6.043 171 H VAL 21 H VAL 21 8.091 20.778 -1.790 172 HA VAL 21 HA VAL 21 10.841 19.894 -1.839 173 HB VAL 21 HB VAL 21 9.032 20.666 0.470 174 HG11 VAL 21 HG11 VAL 21 10.879 19.351 1.366 175 HG12 VAL 21 HG12 VAL 21 12.050 20.294 0.408 176 HG13 VAL 21 HG13 VAL 21 11.137 21.065 1.716 177 HG21 VAL 21 HG21 VAL 21 9.399 22.515 -1.123 178 HG22 VAL 21 HG22 VAL 21 10.308 22.805 0.350 179 HG23 VAL 21 HG23 VAL 21 11.151 22.210 -1.095 180 H LEU 22 H LEU 22 11.707 17.969 -1.391 181 HA LEU 22 HA LEU 22 10.066 15.666 -0.427 182 HB2 LEU 22 HB2 LEU 22 12.950 15.859 -1.391 183 HB3 LEU 22 HB3 LEU 22 12.154 14.386 -0.840 184 HG LEU 22 HG LEU 22 11.421 16.005 -3.298 185 HD11 LEU 22 HD11 LEU 22 13.513 14.723 -3.506 186 HD12 LEU 22 HD12 LEU 22 12.695 13.252 -2.932 187 HD13 LEU 22 HD13 LEU 22 12.256 13.970 -4.495 188 HD21 LEU 22 HD21 LEU 22 10.210 13.402 -2.269 189 HD22 LEU 22 HD22 LEU 22 9.378 14.971 -2.440 190 HD23 LEU 22 HD23 LEU 22 9.925 14.106 -3.876 191 H GLU 23 H GLU 23 12.876 17.672 0.565 192 HA GLU 23 HA GLU 23 12.274 17.117 3.328 193 HB2 GLU 23 HB2 GLU 23 14.329 16.125 4.020 194 HB3 GLU 23 HB3 GLU 23 13.602 15.084 2.819 195 HG2 GLU 23 HG2 GLU 23 15.181 15.743 1.123 196 HG3 GLU 23 HG3 GLU 23 15.791 17.079 2.108 197 H VAL 24 H VAL 24 13.572 18.206 4.852 198 HA VAL 24 HA VAL 24 15.189 20.511 3.925 199 HB VAL 24 HB VAL 24 13.054 20.684 6.093 200 HG11 VAL 24 HG11 VAL 24 14.861 22.825 4.891 201 HG12 VAL 24 HG12 VAL 24 13.520 23.114 6.013 202 HG13 VAL 24 HG13 VAL 24 14.929 22.203 6.546 203 HG21 VAL 24 HG21 VAL 24 13.062 21.798 3.261 204 HG22 VAL 24 HG22 VAL 24 11.932 20.610 3.947 205 HG23 VAL 24 HG23 VAL 24 11.918 22.268 4.538 206 H ARG 25 H ARG 25 16.941 20.913 5.208 207 HA ARG 25 HA ARG 25 17.401 19.238 7.658 208 HB2 ARG 25 HB2 ARG 25 19.512 19.947 5.584 209 HB3 ARG 25 HB3 ARG 25 19.688 18.886 6.974 210 HG2 ARG 25 HG2 ARG 25 17.955 17.360 5.892 211 HG3 ARG 25 HG3 ARG 25 18.072 18.360 4.442 212 HD2 ARG 25 HD2 ARG 25 20.497 17.914 4.319 213 HD3 ARG 25 HD3 ARG 25 20.387 16.901 5.775 214 HE ARG 25 HE ARG 25 18.491 15.849 4.017 215 HH11 ARG 25 HH11 ARG 25 21.984 16.141 3.981 216 HH12 ARG 25 HH12 ARG 25 22.169 14.796 2.883 217 HH21 ARG 25 HH21 ARG 25 18.782 14.275 2.507 218 HH22 ARG 25 HH22 ARG 25 20.399 13.746 2.096 219 H ALA 26 H ALA 26 18.526 20.175 9.312 220 HA ALA 26 HA ALA 26 19.487 22.993 8.988 221 HB1 ALA 26 HB1 ALA 26 18.323 21.650 11.460 222 HB2 ALA 26 HB2 ALA 26 18.995 23.295 11.378 223 HB3 ALA 26 HB3 ALA 26 17.533 22.887 10.457 224 H GLU 27 H GLU 27 21.575 23.142 8.979 225 HA GLU 27 HA GLU 27 23.398 21.138 10.206 226 HB2 GLU 27 HB2 GLU 27 23.989 23.506 8.379 227 HB3 GLU 27 HB3 GLU 27 25.131 22.278 8.947 228 HG2 GLU 27 HG2 GLU 27 23.668 20.529 7.810 229 HG3 GLU 27 HG3 GLU 27 22.787 21.860 7.048 230 H GLY 28 H GLY 28 25.521 22.526 11.009 231 HA2 GLY 28 HA2 GLY 28 24.808 23.631 13.521 232 HA3 GLY 28 HA3 GLY 28 26.409 23.675 12.783 233 H GLY 29 H GLY 29 24.796 25.327 10.530 234 HA2 GLY 29 HA2 GLY 29 24.275 27.870 11.895 235 HA3 GLY 29 HA3 GLY 29 25.748 27.843 10.922 236 H ALA 30 H ALA 30 23.144 25.936 9.629 237 HA ALA 30 HA ALA 30 21.930 28.020 8.008 238 HB1 ALA 30 HB1 ALA 30 23.819 25.983 6.704 239 HB2 ALA 30 HB2 ALA 30 22.812 27.169 5.838 240 HB3 ALA 30 HB3 ALA 30 24.154 27.718 6.863 241 H VAL 31 H VAL 31 20.271 27.155 6.556 242 HA VAL 31 HA VAL 31 19.595 24.270 7.001 243 HB VAL 31 HB VAL 31 17.297 24.623 6.468 244 HG11 VAL 31 HG11 VAL 31 18.020 24.878 8.823 245 HG12 VAL 31 HG12 VAL 31 18.085 26.641 8.572 246 HG13 VAL 31 HG13 VAL 31 16.544 25.779 8.435 247 HG21 VAL 31 HG21 VAL 31 17.974 27.558 6.136 248 HG22 VAL 31 HG22 VAL 31 17.355 26.436 4.899 249 HG23 VAL 31 HG23 VAL 31 16.334 26.887 6.264 250 H ARG 32 H ARG 32 18.704 23.112 5.283 251 HA ARG 32 HA ARG 32 19.299 24.061 2.502 252 HB2 ARG 32 HB2 ARG 32 20.144 21.422 3.741 253 HB3 ARG 32 HB3 ARG 32 20.162 21.750 2.010 254 HG2 ARG 32 HG2 ARG 32 21.853 23.455 2.247 255 HG3 ARG 32 HG3 ARG 32 21.695 23.466 4.004 256 HD2 ARG 32 HD2 ARG 32 23.691 22.285 3.473 257 HD3 ARG 32 HD3 ARG 32 22.497 21.144 4.125 258 HE ARG 32 HE ARG 32 22.348 21.136 1.247 259 HH11 ARG 32 HH11 ARG 32 24.576 20.041 3.776 260 HH12 ARG 32 HH12 ARG 32 25.189 18.772 2.745 261 HH21 ARG 32 HH21 ARG 32 23.158 19.631 0.076 262 HH22 ARG 32 HH22 ARG 32 24.400 18.516 0.651 263 H VAL 33 H VAL 33 17.824 23.474 1.035 264 HA VAL 33 HA VAL 33 15.480 21.742 1.787 265 HB VAL 33 HB VAL 33 15.489 24.310 0.141 266 HG11 VAL 33 HG11 VAL 33 13.188 22.507 0.982 267 HG12 VAL 33 HG12 VAL 33 13.006 24.106 0.229 268 HG13 VAL 33 HG13 VAL 33 13.751 22.797 -0.676 269 HG21 VAL 33 HG21 VAL 33 14.301 23.820 2.898 270 HG22 VAL 33 HG22 VAL 33 15.727 24.817 2.555 271 HG23 VAL 33 HG23 VAL 33 14.154 25.304 1.945 272 H THR 34 H THR 34 14.915 20.183 0.319 273 HA THR 34 HA THR 34 16.188 20.230 -2.405 274 HB THR 34 HB THR 34 15.864 17.845 -0.551 275 HG1 THR 34 HG1 THR 34 17.619 19.183 -0.052 276 HG21 THR 34 HG21 THR 34 17.202 16.642 -2.283 277 HG22 THR 34 HG22 THR 34 15.597 17.089 -2.862 278 HG23 THR 34 HG23 THR 34 17.015 18.033 -3.380 279 H THR 35 H THR 35 14.877 19.891 -4.106 280 HA THR 35 HA THR 35 12.008 19.376 -3.573 281 HB THR 35 HB THR 35 11.496 20.386 -5.629 282 HG1 THR 35 HG1 THR 35 13.047 20.967 -7.099 283 HG21 THR 35 HG21 THR 35 12.179 21.985 -3.824 284 HG22 THR 35 HG22 THR 35 13.808 22.043 -4.531 285 HG23 THR 35 HG23 THR 35 12.405 22.605 -5.464 286 H LEU 36 H LEU 36 10.706 18.253 -5.118 287 HA LEU 36 HA LEU 36 11.316 15.582 -5.687 288 HB2 LEU 36 HB2 LEU 36 9.081 16.508 -5.468 289 HB3 LEU 36 HB3 LEU 36 9.335 17.566 -6.861 290 HG LEU 36 HG LEU 36 9.352 15.628 -8.377 291 HD11 LEU 36 HD11 LEU 36 8.633 13.418 -7.585 292 HD12 LEU 36 HD12 LEU 36 10.162 13.861 -6.827 293 HD13 LEU 36 HD13 LEU 36 8.651 13.980 -5.896 294 HD21 LEU 36 HD21 LEU 36 6.971 15.120 -8.205 295 HD22 LEU 36 HD22 LEU 36 6.945 15.654 -6.508 296 HD23 LEU 36 HD23 LEU 36 7.244 16.832 -7.814 297 H PHE 37 H PHE 37 12.019 18.424 -7.631 298 HA PHE 37 HA PHE 37 12.875 16.769 -9.944 299 HB2 PHE 37 HB2 PHE 37 12.364 19.752 -9.766 300 HB3 PHE 37 HB3 PHE 37 12.731 18.827 -11.226 301 HD1 PHE 37 HD1 PHE 37 10.091 19.949 -9.023 302 HD2 PHE 37 HD2 PHE 37 11.136 16.855 -11.847 303 HE1 PHE 37 HE1 PHE 37 7.699 19.300 -9.218 304 HE2 PHE 37 HE2 PHE 37 8.755 16.179 -11.988 305 HZ PHE 37 HZ PHE 37 7.035 17.388 -10.647 306 H ASP 38 H ASP 38 14.344 17.294 -7.303 307 HA ASP 38 HA ASP 38 16.418 17.417 -6.564 308 HB2 ASP 38 HB2 ASP 38 16.599 15.631 -8.318 309 HB3 ASP 38 HB3 ASP 38 17.329 16.818 -9.387 310 H GLU 39 H GLU 39 15.282 19.939 -7.291 311 HA GLU 39 HA GLU 39 17.686 21.633 -7.749 312 HB2 GLU 39 HB2 GLU 39 14.901 22.438 -6.813 313 HB3 GLU 39 HB3 GLU 39 16.218 23.520 -7.203 314 HG2 GLU 39 HG2 GLU 39 14.743 21.694 -9.153 315 HG3 GLU 39 HG3 GLU 39 14.566 23.436 -9.018 316 H GLU 40 H GLU 40 18.695 22.753 -6.067 317 HA GLU 40 HA GLU 40 17.920 22.077 -3.280 318 HB2 GLU 40 HB2 GLU 40 19.747 20.588 -3.855 319 HB3 GLU 40 HB3 GLU 40 20.749 21.976 -4.354 320 HG2 GLU 40 HG2 GLU 40 20.783 22.849 -2.081 321 HG3 GLU 40 HG3 GLU 40 19.632 21.619 -1.550 322 H HIS 41 H HIS 41 18.026 23.673 -1.851 323 HA HIS 41 HA HIS 41 19.195 26.319 -2.595 324 HB2 HIS 41 HB2 HIS 41 16.555 25.926 -1.145 325 HB3 HIS 41 HB3 HIS 41 17.263 27.449 -1.678 326 HD2 HIS 41 HD2 HIS 41 15.305 24.402 -2.962 327 HE1 HIS 41 HE1 HIS 41 15.434 27.190 -6.190 328 HE2 HIS 41 HE2 HIS 41 14.430 24.994 -5.387 329 H ALA 42 H ALA 42 20.104 27.461 -0.850 330 HA ALA 42 HA ALA 42 20.053 26.206 1.833 331 HB1 ALA 42 HB1 ALA 42 22.626 26.878 0.343 332 HB2 ALA 42 HB2 ALA 42 22.488 26.218 1.984 333 HB3 ALA 42 HB3 ALA 42 21.990 25.237 0.597 334 H PHE 43 H PHE 43 20.352 27.552 3.551 335 HA PHE 43 HA PHE 43 20.583 30.485 3.027 336 HB2 PHE 43 HB2 PHE 43 18.342 29.190 4.577 337 HB3 PHE 43 HB3 PHE 43 18.592 30.915 4.351 338 HD1 PHE 43 HD1 PHE 43 17.331 27.807 2.874 339 HD2 PHE 43 HD2 PHE 43 18.270 31.940 2.066 340 HE1 PHE 43 HE1 PHE 43 16.014 27.701 0.784 341 HE2 PHE 43 HE2 PHE 43 16.958 31.827 -0.042 342 HZ PHE 43 HZ PHE 43 15.843 29.711 -0.702 343 HA PRO 44 HA PRO 44 23.019 29.709 6.813 344 HB2 PRO 44 HB2 PRO 44 24.472 32.023 6.863 345 HB3 PRO 44 HB3 PRO 44 24.849 30.649 5.764 346 HG2 PRO 44 HG2 PRO 44 23.252 33.167 5.142 347 HG3 PRO 44 HG3 PRO 44 24.584 32.433 4.186 348 HD2 PRO 44 HD2 PRO 44 21.960 31.998 3.612 349 HD3 PRO 44 HD3 PRO 44 23.186 30.716 3.390 350 H GLY 45 H GLY 45 22.753 30.322 8.907 351 HA2 GLY 45 HA2 GLY 45 22.081 31.572 10.757 352 HA3 GLY 45 HA3 GLY 45 21.632 32.904 9.694 353 H LEU 46 H LEU 46 20.121 29.911 8.900 354 HA LEU 46 HA LEU 46 17.649 30.603 10.440 355 HB2 LEU 46 HB2 LEU 46 17.892 29.097 7.821 356 HB3 LEU 46 HB3 LEU 46 16.399 29.367 8.719 357 HG LEU 46 HG LEU 46 18.083 31.478 7.301 358 HD11 LEU 46 HD11 LEU 46 16.618 30.011 5.901 359 HD12 LEU 46 HD12 LEU 46 15.216 30.556 6.848 360 HD13 LEU 46 HD13 LEU 46 16.135 31.717 5.877 361 HD21 LEU 46 HD21 LEU 46 15.555 31.830 8.974 362 HD22 LEU 46 HD22 LEU 46 17.151 32.543 9.302 363 HD23 LEU 46 HD23 LEU 46 16.235 33.060 7.887 364 H ALA 47 H ALA 47 16.346 28.856 11.111 365 HA ALA 47 HA ALA 47 17.429 26.110 11.149 366 HB1 ALA 47 HB1 ALA 47 16.414 27.583 13.625 367 HB2 ALA 47 HB2 ALA 47 16.794 25.849 13.531 368 HB3 ALA 47 HB3 ALA 47 18.083 27.046 13.330 369 H ILE 48 H ILE 48 15.659 24.511 11.656 370 HA ILE 48 HA ILE 48 13.206 25.228 10.241 371 HB ILE 48 HB ILE 48 13.983 22.657 11.646 372 HG12 ILE 48 HG12 ILE 48 13.896 23.141 8.641 373 HG13 ILE 48 HG13 ILE 48 15.364 23.384 9.575 374 HG21 ILE 48 HG21 ILE 48 12.109 21.673 10.292 375 HG22 ILE 48 HG22 ILE 48 11.540 22.822 11.488 376 HG23 ILE 48 HG23 ILE 48 11.658 23.300 9.776 377 HD11 ILE 48 HD11 ILE 48 15.253 21.018 10.389 378 HD12 ILE 48 HD12 ILE 48 13.895 20.744 9.268 379 HD13 ILE 48 HD13 ILE 48 15.485 21.182 8.642 380 H GLY 49 H GLY 49 11.379 26.007 11.128 381 HA2 GLY 49 HA2 GLY 49 11.172 26.262 14.092 382 HA3 GLY 49 HA3 GLY 49 10.305 27.191 12.864 383 H ARG 50 H ARG 50 9.093 25.322 11.279 384 HA ARG 50 HA ARG 50 7.450 23.536 13.010 385 HB2 ARG 50 HB2 ARG 50 6.355 25.554 13.419 386 HB3 ARG 50 HB3 ARG 50 6.549 26.151 11.784 387 HG2 ARG 50 HG2 ARG 50 4.818 24.712 10.922 388 HG3 ARG 50 HG3 ARG 50 4.685 23.830 12.461 389 HD2 ARG 50 HD2 ARG 50 4.032 26.000 13.567 390 HD3 ARG 50 HD3 ARG 50 4.097 26.783 11.977 391 HE ARG 50 HE ARG 50 2.358 24.511 11.797 392 HH11 ARG 50 HH11 ARG 50 2.327 27.621 13.461 393 HH12 ARG 50 HH12 ARG 50 0.589 27.713 13.407 394 HH21 ARG 50 HH21 ARG 50 0.213 24.835 11.567 395 HH22 ARG 50 HH22 ARG 50 -0.591 26.162 12.386 396 H VAL 51 H VAL 51 6.254 22.011 11.977 397 HA VAL 51 HA VAL 51 5.877 22.197 9.068 398 HB VAL 51 HB VAL 51 7.764 20.732 9.120 399 HG11 VAL 51 HG11 VAL 51 7.676 19.866 11.401 400 HG12 VAL 51 HG12 VAL 51 6.245 18.884 10.992 401 HG13 VAL 51 HG13 VAL 51 7.799 18.567 10.212 402 HG21 VAL 51 HG21 VAL 51 6.827 18.774 7.975 403 HG22 VAL 51 HG22 VAL 51 5.244 19.072 8.669 404 HG23 VAL 51 HG23 VAL 51 5.936 20.229 7.508 405 H ASP 52 H ASP 52 3.900 21.737 8.453 406 HA ASP 52 HA ASP 52 2.067 20.178 10.240 407 HB2 ASP 52 HB2 ASP 52 1.370 22.328 8.219 408 HB3 ASP 52 HB3 ASP 52 0.217 21.293 9.062 409 H LEU 53 H LEU 53 1.996 18.145 9.456 410 HA LEU 53 HA LEU 53 2.800 17.439 6.755 411 HB2 LEU 53 HB2 LEU 53 1.512 15.800 8.974 412 HB3 LEU 53 HB3 LEU 53 2.071 15.151 7.453 413 HG LEU 53 HG LEU 53 3.652 14.585 9.080 414 HD11 LEU 53 HD11 LEU 53 4.554 15.268 6.875 415 HD12 LEU 53 HD12 LEU 53 4.856 16.896 7.520 416 HD13 LEU 53 HD13 LEU 53 5.716 15.503 8.189 417 HD21 LEU 53 HD21 LEU 53 3.185 16.242 10.807 418 HD22 LEU 53 HD22 LEU 53 4.904 16.076 10.503 419 HD23 LEU 53 HD23 LEU 53 4.046 17.488 9.872 420 H ARG 54 H ARG 54 -0.327 17.630 8.441 421 HA ARG 54 HA ARG 54 -1.951 16.639 6.287 422 HB2 ARG 54 HB2 ARG 54 -2.624 16.758 8.680 423 HB3 ARG 54 HB3 ARG 54 -2.668 18.520 8.579 424 HG2 ARG 54 HG2 ARG 54 -4.528 18.418 6.958 425 HG3 ARG 54 HG3 ARG 54 -4.367 16.653 6.851 426 HD2 ARG 54 HD2 ARG 54 -6.273 17.232 8.237 427 HD3 ARG 54 HD3 ARG 54 -5.027 16.411 9.194 428 HE ARG 54 HE ARG 54 -4.766 19.302 9.303 429 HH11 ARG 54 HH11 ARG 54 -6.647 16.696 10.708 430 HH12 ARG 54 HH12 ARG 54 -6.983 17.599 12.160 431 HH21 ARG 54 HH21 ARG 54 -5.220 20.391 11.206 432 HH22 ARG 54 HH22 ARG 54 -6.180 19.623 12.435 433 H SER 55 H SER 55 -0.896 19.930 7.070 434 HA SER 55 HA SER 55 -2.376 21.148 4.846 435 HB2 SER 55 HB2 SER 55 -0.254 22.356 6.649 436 HB3 SER 55 HB3 SER 55 -1.399 23.230 5.616 437 HG SER 55 HG SER 55 -2.092 23.149 7.808 438 H GLY 56 H GLY 56 0.846 19.822 5.244 439 HA2 GLY 56 HA2 GLY 56 2.535 19.504 3.713 440 HA3 GLY 56 HA3 GLY 56 1.520 20.194 2.442 441 H VAL 57 H VAL 57 2.717 21.645 5.511 442 HA VAL 57 HA VAL 57 4.192 23.742 3.964 443 HB VAL 57 HB VAL 57 2.227 24.257 6.223 444 HG11 VAL 57 HG11 VAL 57 4.073 26.197 4.735 445 HG12 VAL 57 HG12 VAL 57 2.742 26.664 5.817 446 HG13 VAL 57 HG13 VAL 57 4.126 25.807 6.465 447 HG21 VAL 57 HG21 VAL 57 1.081 25.652 4.514 448 HG22 VAL 57 HG22 VAL 57 2.249 25.103 3.293 449 HG23 VAL 57 HG23 VAL 57 1.122 23.952 4.045 450 H ILE 58 H ILE 58 6.093 24.324 4.705 451 HA ILE 58 HA ILE 58 6.959 23.609 7.472 452 HB ILE 58 HB ILE 58 8.553 23.541 4.889 453 HG12 ILE 58 HG12 ILE 58 8.019 21.341 6.927 454 HG13 ILE 58 HG13 ILE 58 7.108 21.533 5.430 455 HG21 ILE 58 HG21 ILE 58 9.531 23.238 7.776 456 HG22 ILE 58 HG22 ILE 58 10.514 22.882 6.343 457 HG23 ILE 58 HG23 ILE 58 9.996 24.526 6.634 458 HD11 ILE 58 HD11 ILE 58 10.055 20.848 5.633 459 HD12 ILE 58 HD12 ILE 58 8.723 19.826 5.109 460 HD13 ILE 58 HD13 ILE 58 9.186 21.227 4.114 461 H SER 59 H SER 59 7.930 25.200 8.633 462 HA SER 59 HA SER 59 8.314 27.878 7.342 463 HB2 SER 59 HB2 SER 59 6.224 27.758 8.708 464 HB3 SER 59 HB3 SER 59 7.227 27.370 10.116 465 HG SER 59 HG SER 59 6.778 29.628 9.955 466 H LEU 60 H LEU 60 10.065 28.991 7.829 467 HA LEU 60 HA LEU 60 12.139 27.721 9.568 468 HB2 LEU 60 HB2 LEU 60 12.472 29.556 7.176 469 HB3 LEU 60 HB3 LEU 60 13.779 28.832 8.110 470 HG LEU 60 HG LEU 60 11.740 27.261 6.452 471 HD11 LEU 60 HD11 LEU 60 14.591 28.130 5.911 472 HD12 LEU 60 HD12 LEU 60 13.797 26.792 5.042 473 HD13 LEU 60 HD13 LEU 60 13.139 28.426 4.949 474 HD21 LEU 60 HD21 LEU 60 14.204 26.363 7.994 475 HD22 LEU 60 HD22 LEU 60 12.509 25.884 8.262 476 HD23 LEU 60 HD23 LEU 60 13.329 25.369 6.793 477 H ILE 61 H ILE 61 13.452 28.983 10.858 478 HA ILE 61 HA ILE 61 12.571 31.757 11.512 479 HB ILE 61 HB ILE 61 12.658 31.301 13.875 480 HG12 ILE 61 HG12 ILE 61 12.484 28.564 14.297 481 HG13 ILE 61 HG13 ILE 61 13.749 28.662 13.076 482 HG21 ILE 61 HG21 ILE 61 10.789 29.345 12.516 483 HG22 ILE 61 HG22 ILE 61 10.605 30.035 14.134 484 HG23 ILE 61 HG23 ILE 61 10.506 31.091 12.713 485 HD11 ILE 61 HD11 ILE 61 13.742 30.172 15.715 486 HD12 ILE 61 HD12 ILE 61 14.635 28.676 15.371 487 HD13 ILE 61 HD13 ILE 61 15.054 30.162 14.503 488 H GLU 62 H GLU 62 14.140 32.967 12.808 489 HA GLU 62 HA GLU 62 16.793 32.675 11.619 490 HB2 GLU 62 HB2 GLU 62 15.712 34.691 13.611 491 HB3 GLU 62 HB3 GLU 62 17.330 34.711 12.903 492 HG2 GLU 62 HG2 GLU 62 16.341 34.910 10.635 493 HG3 GLU 62 HG3 GLU 62 14.719 34.863 11.322 494 H GLU 63 H GLU 63 18.432 31.564 12.380 495 HA GLU 63 HA GLU 63 18.483 30.338 15.027 496 HB2 GLU 63 HB2 GLU 63 19.338 29.157 13.116 497 HB3 GLU 63 HB3 GLU 63 20.491 30.422 12.749 498 HG2 GLU 63 HG2 GLU 63 20.515 28.958 15.428 499 HG3 GLU 63 HG3 GLU 63 21.237 28.241 13.996 500 H GLN 64 H GLN 64 19.573 30.952 16.799 501 HA GLN 64 HA GLN 64 21.272 33.366 16.812 502 HB2 GLN 64 HB2 GLN 64 19.777 34.579 18.321 503 HB3 GLN 64 HB3 GLN 64 19.006 34.230 16.791 504 HG2 GLN 64 HG2 GLN 64 17.946 32.156 18.020 505 HG3 GLN 64 HG3 GLN 64 18.446 32.977 19.501 506 HE21 GLN 64 HE21 GLN 64 16.442 33.308 16.492 507 HE22 GLN 64 HE22 GLN 64 15.379 34.515 17.200 508 H ASN 65 H ASN 65 21.721 30.544 17.506 509 HA ASN 65 HA ASN 65 22.306 30.568 20.410 510 HB2 ASN 65 HB2 ASN 65 21.680 28.430 19.324 511 HB3 ASN 65 HB3 ASN 65 23.008 28.616 18.164 512 HD21 ASN 65 HD21 ASN 65 22.392 28.532 21.705 513 HD22 ASN 65 HD22 ASN 65 23.896 27.691 22.093 514 H ARG 66 H ARG 66 23.898 31.075 17.276 515 HA ARG 66 HA ARG 66 26.593 31.497 18.360 516 HB2 ARG 66 HB2 ARG 66 25.365 32.083 15.634 517 HB3 ARG 66 HB3 ARG 66 27.062 32.334 16.053 518 HG2 ARG 66 HG2 ARG 66 27.325 29.932 16.591 519 HG3 ARG 66 HG3 ARG 66 25.638 29.635 16.156 520 HD2 ARG 66 HD2 ARG 66 27.769 30.738 14.276 521 HD3 ARG 66 HD3 ARG 66 27.245 29.047 14.338 522 HE ARG 66 HE ARG 66 24.872 30.387 13.961 523 HH11 ARG 66 HH11 ARG 66 27.836 30.314 12.058 524 HH12 ARG 66 HH12 ARG 66 26.953 30.673 10.592 525 HH21 ARG 66 HH21 ARG 66 23.898 30.699 12.192 526 HH22 ARG 66 HH22 ARG 66 24.721 30.744 10.632 527 H1 GLY -3 H1 GLY -3 -2.002 11.159 -7.084 528 H2 GLY -3 H2 GLY -3 -1.515 9.603 -7.181 529 H3 GLY -3 H3 GLY -3 -0.830 10.739 -8.148 530 HA2 GLY -3 HA2 GLY -3 0.701 10.206 -6.399 531 HA3 GLY -3 HA3 GLY -3 0.117 11.875 -6.246 532 HA PRO -2 HA PRO -2 -0.396 10.063 -2.055 533 HB2 PRO -2 HB2 PRO -2 -0.393 13.029 -1.490 534 HB3 PRO -2 HB3 PRO -2 0.364 11.704 -0.551 535 HG2 PRO -2 HG2 PRO -2 1.899 13.214 -2.184 536 HG3 PRO -2 HG3 PRO -2 2.100 11.437 -2.195 537 HD2 PRO -2 HD2 PRO -2 0.520 13.156 -4.121 538 HD3 PRO -2 HD3 PRO -2 1.687 11.848 -4.481 539 H GLY -1 H GLY -1 -2.062 10.274 -0.407 540 HA2 GLY -1 HA2 GLY -1 -4.738 10.551 -1.498 541 HA3 GLY -1 HA3 GLY -1 -4.281 10.085 0.143 542 H SER 0 H SER 0 -6.332 11.433 0.395 543 HA SER 0 HA SER 0 -6.362 14.251 0.169 544 HB2 SER 0 HB2 SER 0 -7.909 12.512 2.133 545 HB3 SER 0 HB3 SER 0 -8.339 14.152 1.596 546 HG SER 0 HG SER 0 -9.482 12.541 0.441 547 H MET 1 H MET 1 -4.570 12.445 2.430 548 HA MET 1 HA MET 1 -3.753 14.865 3.862 549 HB2 MET 1 HB2 MET 1 -4.019 13.913 6.086 550 HB3 MET 1 HB3 MET 1 -5.584 14.099 5.308 551 HG2 MET 1 HG2 MET 1 -5.846 11.785 4.961 552 HG3 MET 1 HG3 MET 1 -4.139 11.433 5.168 553 HE1 MET 1 HE1 MET 1 -3.136 12.656 7.823 554 HE2 MET 1 HE2 MET 1 -3.502 11.301 8.916 555 HE3 MET 1 HE3 MET 1 -2.900 10.978 7.280 556 H CYS 2 H CYS 2 -1.861 14.416 5.259 557 HA CYS 2 HA CYS 2 -0.345 11.925 4.698 558 HB2 CYS 2 HB2 CYS 2 0.824 14.719 4.662 559 HB3 CYS 2 HB3 CYS 2 1.749 13.224 4.636 560 H MET 3 H MET 3 1.083 11.323 6.367 561 HA MET 3 HA MET 3 1.301 12.911 8.796 562 HB2 MET 3 HB2 MET 3 0.476 11.233 10.322 563 HB3 MET 3 HB3 MET 3 -0.799 11.640 9.179 564 HG2 MET 3 HG2 MET 3 -0.249 9.581 7.879 565 HG3 MET 3 HG3 MET 3 0.941 9.150 9.114 566 HE1 MET 3 HE1 MET 3 -1.846 6.527 9.780 567 HE2 MET 3 HE2 MET 3 -1.291 7.151 8.213 568 HE3 MET 3 HE3 MET 3 -0.111 6.808 9.492 569 H ALA 4 H ALA 4 2.898 11.994 10.288 570 HA ALA 4 HA ALA 4 4.995 10.338 8.916 571 HB1 ALA 4 HB1 ALA 4 6.605 12.158 9.479 572 HB2 ALA 4 HB2 ALA 4 5.338 12.733 8.399 573 HB3 ALA 4 HB3 ALA 4 5.276 13.119 10.139 574 H LYS 5 H LYS 5 6.986 10.243 10.571 575 HA LYS 5 HA LYS 5 5.969 9.982 13.358 576 HB2 LYS 5 HB2 LYS 5 7.414 8.174 13.860 577 HB3 LYS 5 HB3 LYS 5 6.439 7.735 12.458 578 HG2 LYS 5 HG2 LYS 5 8.355 8.092 10.956 579 HG3 LYS 5 HG3 LYS 5 9.331 8.722 12.314 580 HD2 LYS 5 HD2 LYS 5 9.074 6.531 13.476 581 HD3 LYS 5 HD3 LYS 5 8.259 5.887 12.042 582 HE2 LYS 5 HE2 LYS 5 10.274 6.256 10.692 583 HE3 LYS 5 HE3 LYS 5 11.059 7.104 12.041 584 HZ1 LYS 5 HZ1 LYS 5 10.283 4.239 12.096 585 HZ2 LYS 5 HZ2 LYS 5 11.814 4.798 11.935 586 HZ3 LYS 5 HZ3 LYS 5 10.984 5.058 13.329 587 H VAL 6 H VAL 6 7.149 10.680 15.019 588 HA VAL 6 HA VAL 6 9.475 12.480 14.474 589 HB VAL 6 HB VAL 6 7.447 12.283 16.677 590 HG11 VAL 6 HG11 VAL 6 10.196 13.511 17.098 591 HG12 VAL 6 HG12 VAL 6 8.779 13.780 18.115 592 HG13 VAL 6 HG13 VAL 6 9.471 12.173 18.016 593 HG21 VAL 6 HG21 VAL 6 7.410 14.687 16.340 594 HG22 VAL 6 HG22 VAL 6 8.816 14.611 15.268 595 HG23 VAL 6 HG23 VAL 6 7.269 13.887 14.768 596 H VAL 7 H VAL 7 11.456 12.151 15.422 597 HA VAL 7 HA VAL 7 11.836 9.856 17.238 598 HB VAL 7 HB VAL 7 12.366 8.866 15.113 599 HG11 VAL 7 HG11 VAL 7 14.201 9.591 13.692 600 HG12 VAL 7 HG12 VAL 7 12.967 10.842 13.781 601 HG13 VAL 7 HG13 VAL 7 14.494 11.010 14.705 602 HG21 VAL 7 HG21 VAL 7 14.968 9.448 16.599 603 HG22 VAL 7 HG22 VAL 7 13.733 8.289 17.144 604 HG23 VAL 7 HG23 VAL 7 14.569 8.035 15.607 605 H LEU 8 H LEU 8 13.163 10.266 18.876 606 HA LEU 8 HA LEU 8 14.984 12.605 18.861 607 HB2 LEU 8 HB2 LEU 8 13.945 13.679 20.715 608 HB3 LEU 8 HB3 LEU 8 12.735 13.410 19.475 609 HG LEU 8 HG LEU 8 12.213 11.218 20.944 610 HD11 LEU 8 HD11 LEU 8 13.262 13.268 22.948 611 HD12 LEU 8 HD12 LEU 8 12.272 11.852 23.359 612 HD13 LEU 8 HD13 LEU 8 13.899 11.629 22.702 613 HD21 LEU 8 HD21 LEU 8 10.607 12.983 20.320 614 HD22 LEU 8 HD22 LEU 8 10.423 12.512 22.013 615 HD23 LEU 8 HD23 LEU 8 11.246 14.032 21.603 616 H THR 9 H THR 9 16.446 12.653 20.673 617 HA THR 9 HA THR 9 16.660 10.120 22.232 618 HB THR 9 HB THR 9 19.111 11.424 21.019 619 HG1 THR 9 HG1 THR 9 17.813 10.683 19.349 620 HG21 THR 9 HG21 THR 9 19.524 9.904 22.925 621 HG22 THR 9 HG22 THR 9 18.558 8.633 22.131 622 HG23 THR 9 HG23 THR 9 20.092 9.175 21.421 623 H LYS 10 H LYS 10 17.063 10.392 24.309 624 HA LYS 10 HA LYS 10 17.177 12.995 25.581 625 HB2 LYS 10 HB2 LYS 10 17.642 10.170 26.632 626 HB3 LYS 10 HB3 LYS 10 17.471 11.602 27.653 627 HG2 LYS 10 HG2 LYS 10 15.187 11.957 26.956 628 HG3 LYS 10 HG3 LYS 10 15.286 10.640 25.765 629 HD2 LYS 10 HD2 LYS 10 15.787 9.044 27.659 630 HD3 LYS 10 HD3 LYS 10 15.494 10.356 28.804 631 HE2 LYS 10 HE2 LYS 10 13.498 9.344 26.729 632 HE3 LYS 10 HE3 LYS 10 13.561 8.768 28.403 633 HZ1 LYS 10 HZ1 LYS 10 13.078 11.015 29.157 634 HZ2 LYS 10 HZ2 LYS 10 13.024 11.587 27.628 635 HZ3 LYS 10 HZ3 LYS 10 11.898 10.527 28.147 636 H ALA 11 H ALA 11 18.806 13.613 27.153 637 HA ALA 11 HA ALA 11 21.527 13.650 26.218 638 HB1 ALA 11 HB1 ALA 11 20.359 14.246 28.976 639 HB2 ALA 11 HB2 ALA 11 21.953 14.746 28.393 640 HB3 ALA 11 HB3 ALA 11 20.494 15.410 27.630 641 H ASP 12 H ASP 12 19.793 11.450 28.388 642 HA ASP 12 HA ASP 12 22.111 9.976 29.323 643 HB2 ASP 12 HB2 ASP 12 19.128 9.416 29.300 644 HB3 ASP 12 HB3 ASP 12 20.309 8.411 30.114 645 H GLY 13 H GLY 13 20.764 10.099 26.245 646 HA2 GLY 13 HA2 GLY 13 21.371 8.853 24.393 647 HA3 GLY 13 HA3 GLY 13 22.000 7.568 25.420 648 H GLY 14 H GLY 14 18.869 8.385 26.448 649 HA2 GLY 14 HA2 GLY 14 17.717 5.877 25.469 650 HA3 GLY 14 HA3 GLY 14 16.936 7.096 26.473 651 H ARG 15 H ARG 15 16.773 5.665 23.506 652 HA ARG 15 HA ARG 15 15.859 8.039 21.985 653 HB2 ARG 15 HB2 ARG 15 17.475 6.521 21.003 654 HB3 ARG 15 HB3 ARG 15 16.328 5.178 21.098 655 HG2 ARG 15 HG2 ARG 15 14.933 6.100 19.411 656 HG3 ARG 15 HG3 ARG 15 15.585 7.728 19.599 657 HD2 ARG 15 HD2 ARG 15 17.251 5.404 18.578 658 HD3 ARG 15 HD3 ARG 15 16.340 6.505 17.517 659 HE ARG 15 HE ARG 15 17.812 8.205 19.142 660 HH11 ARG 15 HH11 ARG 15 18.789 5.688 16.899 661 HH12 ARG 15 HH12 ARG 15 20.331 6.445 16.628 662 HH21 ARG 15 HH21 ARG 15 19.671 9.086 18.758 663 HH22 ARG 15 HH22 ARG 15 20.830 8.361 17.657 664 H VAL 16 H VAL 16 13.886 8.389 21.216 665 HA VAL 16 HA VAL 16 11.596 6.609 21.938 666 HB VAL 16 HB VAL 16 11.850 9.591 22.529 667 HG11 VAL 16 HG11 VAL 16 9.595 9.396 23.585 668 HG12 VAL 16 HG12 VAL 16 9.539 9.126 21.846 669 HG13 VAL 16 HG13 VAL 16 9.468 7.742 22.948 670 HG21 VAL 16 HG21 VAL 16 11.547 7.217 24.413 671 HG22 VAL 16 HG22 VAL 16 12.974 8.270 24.242 672 HG23 VAL 16 HG23 VAL 16 11.470 8.924 24.885 673 H GLU 17 H GLU 17 9.855 6.697 20.555 674 HA GLU 17 HA GLU 17 9.975 8.489 18.194 675 HB2 GLU 17 HB2 GLU 17 9.532 5.479 18.058 676 HB3 GLU 17 HB3 GLU 17 9.289 6.607 16.725 677 HG2 GLU 17 HG2 GLU 17 11.678 7.217 16.760 678 HG3 GLU 17 HG3 GLU 17 11.960 6.129 18.127 679 H ILE 18 H ILE 18 7.995 9.012 17.264 680 HA ILE 18 HA ILE 18 5.491 8.091 18.631 681 HB ILE 18 HB ILE 18 6.233 10.977 17.995 682 HG12 ILE 18 HG12 ILE 18 5.570 9.872 20.737 683 HG13 ILE 18 HG13 ILE 18 7.225 9.965 20.152 684 HG21 ILE 18 HG21 ILE 18 3.825 10.531 17.547 685 HG22 ILE 18 HG22 ILE 18 3.644 9.842 19.172 686 HG23 ILE 18 HG23 ILE 18 4.009 11.568 18.937 687 HD11 ILE 18 HD11 ILE 18 5.408 12.375 20.439 688 HD12 ILE 18 HD12 ILE 18 6.725 11.884 21.514 689 HD13 ILE 18 HD13 ILE 18 7.093 12.367 19.848 690 H GLY 19 H GLY 19 4.118 7.319 17.144 691 HA2 GLY 19 HA2 GLY 19 4.533 7.836 14.258 692 HA3 GLY 19 HA3 GLY 19 3.508 6.615 14.970 693 H ASP 20 H ASP 20 2.562 7.913 12.884 694 HA ASP 20 HA ASP 20 0.833 9.042 12.010 695 HB2 ASP 20 HB2 ASP 20 -0.526 8.579 14.667 696 HB3 ASP 20 HB3 ASP 20 -1.292 8.783 13.099 697 H VAL 21 H VAL 21 2.737 10.850 13.003 698 HA VAL 21 HA VAL 21 1.541 13.034 14.477 699 HB VAL 21 HB VAL 21 4.144 12.843 12.915 700 HG11 VAL 21 HG11 VAL 21 3.185 14.960 14.880 701 HG12 VAL 21 HG12 VAL 21 4.845 14.789 14.286 702 HG13 VAL 21 HG13 VAL 21 3.571 15.209 13.151 703 HG21 VAL 21 HG21 VAL 21 3.538 12.603 15.899 704 HG22 VAL 21 HG22 VAL 21 4.057 11.292 14.820 705 HG23 VAL 21 HG23 VAL 21 5.157 12.626 15.175 706 H LEU 22 H LEU 22 0.476 14.773 13.797 707 HA LEU 22 HA LEU 22 0.286 15.368 10.864 708 HB2 LEU 22 HB2 LEU 22 -1.524 16.232 13.154 709 HB3 LEU 22 HB3 LEU 22 -1.705 16.675 11.459 710 HG LEU 22 HG LEU 22 -2.069 13.916 12.659 711 HD11 LEU 22 HD11 LEU 22 -3.944 15.474 12.963 712 HD12 LEU 22 HD12 LEU 22 -3.921 15.885 11.237 713 HD13 LEU 22 HD13 LEU 22 -4.383 14.259 11.751 714 HD21 LEU 22 HD21 LEU 22 -2.739 13.172 10.404 715 HD22 LEU 22 HD22 LEU 22 -2.198 14.714 9.714 716 HD23 LEU 22 HD23 LEU 22 -1.030 13.614 10.457 717 H GLU 23 H GLU 23 1.501 16.727 13.873 718 HA GLU 23 HA GLU 23 2.809 18.773 12.248 719 HB2 GLU 23 HB2 GLU 23 2.187 20.685 13.575 720 HB3 GLU 23 HB3 GLU 23 0.759 19.980 12.830 721 HG2 GLU 23 HG2 GLU 23 0.038 19.039 14.940 722 HG3 GLU 23 HG3 GLU 23 1.565 19.441 15.727 723 H VAL 24 H VAL 24 4.622 19.696 13.095 724 HA VAL 24 HA VAL 24 5.512 18.980 15.830 725 HB VAL 24 HB VAL 24 7.384 18.780 13.427 726 HG11 VAL 24 HG11 VAL 24 7.770 18.214 16.394 727 HG12 VAL 24 HG12 VAL 24 8.954 17.813 15.131 728 HG13 VAL 24 HG13 VAL 24 8.552 19.495 15.441 729 HG21 VAL 24 HG21 VAL 24 5.897 16.833 13.410 730 HG22 VAL 24 HG22 VAL 24 7.512 16.364 13.942 731 HG23 VAL 24 HG23 VAL 24 6.206 16.558 15.138 732 H ARG 25 H ARG 25 6.324 20.720 16.876 733 HA ARG 25 HA ARG 25 7.102 23.170 15.342 734 HB2 ARG 25 HB2 ARG 25 5.040 23.041 17.576 735 HB3 ARG 25 HB3 ARG 25 5.692 24.523 16.846 736 HG2 ARG 25 HG2 ARG 25 4.794 23.750 14.638 737 HG3 ARG 25 HG3 ARG 25 3.985 22.412 15.455 738 HD2 ARG 25 HD2 ARG 25 3.511 25.386 15.973 739 HD3 ARG 25 HD3 ARG 25 2.480 24.318 15.025 740 HE ARG 25 HE ARG 25 1.753 23.168 16.935 741 HH11 ARG 25 HH11 ARG 25 3.909 25.781 17.870 742 HH12 ARG 25 HH12 ARG 25 3.572 25.604 19.573 743 HH21 ARG 25 HH21 ARG 25 1.188 23.149 19.066 744 HH22 ARG 25 HH22 ARG 25 1.917 24.279 20.187 745 H ALA 26 H ALA 26 8.783 24.214 16.098 746 HA ALA 26 HA ALA 26 9.921 23.582 18.763 747 HB1 ALA 26 HB1 ALA 26 11.422 23.678 16.810 748 HB2 ALA 26 HB2 ALA 26 10.933 25.359 16.502 749 HB3 ALA 26 HB3 ALA 26 11.803 24.947 17.993 750 H GLU 27 H GLU 27 9.280 24.676 20.453 751 HA GLU 27 HA GLU 27 8.104 27.405 20.373 752 HB2 GLU 27 HB2 GLU 27 8.645 25.463 22.650 753 HB3 GLU 27 HB3 GLU 27 7.858 27.022 22.840 754 HG2 GLU 27 HG2 GLU 27 6.746 24.711 21.193 755 HG3 GLU 27 HG3 GLU 27 6.314 25.092 22.849 756 H GLY 28 H GLY 28 9.098 28.647 22.539 757 HA2 GLY 28 HA2 GLY 28 11.648 29.635 21.765 758 HA3 GLY 28 HA3 GLY 28 10.820 29.968 23.279 759 H GLY 29 H GLY 29 11.017 26.788 23.610 760 HA2 GLY 29 HA2 GLY 29 13.866 26.279 23.954 761 HA3 GLY 29 HA3 GLY 29 13.039 26.554 25.491 762 H ALA 30 H ALA 30 11.394 24.902 22.812 763 HA ALA 30 HA ALA 30 11.820 22.201 23.842 764 HB1 ALA 30 HB1 ALA 30 9.498 21.869 24.576 765 HB2 ALA 30 HB2 ALA 30 10.228 23.164 25.526 766 HB3 ALA 30 HB3 ALA 30 9.109 23.565 24.212 767 H VAL 31 H VAL 31 10.639 20.591 22.593 768 HA VAL 31 HA VAL 31 9.354 21.627 20.077 769 HB VAL 31 HB VAL 31 10.771 18.973 20.406 770 HG11 VAL 31 HG11 VAL 31 8.810 18.600 18.988 771 HG12 VAL 31 HG12 VAL 31 9.120 20.092 18.091 772 HG13 VAL 31 HG13 VAL 31 10.226 18.717 17.941 773 HG21 VAL 31 HG21 VAL 31 12.235 20.937 19.985 774 HG22 VAL 31 HG22 VAL 31 12.213 19.827 18.606 775 HG23 VAL 31 HG23 VAL 31 11.292 21.351 18.547 776 H ARG 32 H ARG 32 7.327 21.089 19.658 777 HA ARG 32 HA ARG 32 5.827 19.205 21.449 778 HB2 ARG 32 HB2 ARG 32 4.910 21.793 20.144 779 HB3 ARG 32 HB3 ARG 32 3.828 20.634 20.909 780 HG2 ARG 32 HG2 ARG 32 4.864 20.978 23.088 781 HG3 ARG 32 HG3 ARG 32 6.158 21.949 22.373 782 HD2 ARG 32 HD2 ARG 32 4.691 23.492 23.356 783 HD3 ARG 32 HD3 ARG 32 4.454 23.596 21.598 784 HE ARG 32 HE ARG 32 2.535 21.799 22.904 785 HH11 ARG 32 HH11 ARG 32 3.072 25.219 22.124 786 HH12 ARG 32 HH12 ARG 32 1.398 25.602 22.479 787 HH21 ARG 32 HH21 ARG 32 0.540 22.325 23.205 788 HH22 ARG 32 HH22 ARG 32 -0.055 23.972 23.010 789 H VAL 33 H VAL 33 4.328 17.902 20.573 790 HA VAL 33 HA VAL 33 4.310 17.442 17.616 791 HB VAL 33 HB VAL 33 4.868 15.353 19.756 792 HG11 VAL 33 HG11 VAL 33 5.404 13.856 17.854 793 HG12 VAL 33 HG12 VAL 33 3.714 14.370 17.843 794 HG13 VAL 33 HG13 VAL 33 4.878 15.127 16.736 795 HG21 VAL 33 HG21 VAL 33 7.134 15.157 18.805 796 HG22 VAL 33 HG22 VAL 33 6.809 16.576 17.766 797 HG23 VAL 33 HG23 VAL 33 6.869 16.729 19.535 798 H THR 34 H THR 34 2.301 16.799 16.860 799 HA THR 34 HA THR 34 0.330 15.739 18.836 800 HB THR 34 HB THR 34 -0.356 17.878 16.824 801 HG1 THR 34 HG1 THR 34 0.754 18.709 18.591 802 HG21 THR 34 HG21 THR 34 -2.281 16.425 17.210 803 HG22 THR 34 HG22 THR 34 -2.034 16.520 18.977 804 HG23 THR 34 HG23 THR 34 -2.510 17.961 18.055 805 H THR 35 H THR 35 -0.839 14.031 18.232 806 HA THR 35 HA THR 35 -0.256 12.810 15.623 807 HB THR 35 HB THR 35 -1.178 10.808 16.489 808 HG1 THR 35 HG1 THR 35 -2.186 10.783 18.510 809 HG21 THR 35 HG21 THR 35 1.080 11.414 17.352 810 HG22 THR 35 HG22 THR 35 0.312 12.080 18.816 811 HG23 THR 35 HG23 THR 35 0.157 10.351 18.431 812 H LEU 36 H LEU 36 -1.946 11.572 14.501 813 HA LEU 36 HA LEU 36 -4.171 12.896 13.464 814 HB2 LEU 36 HB2 LEU 36 -3.055 10.970 12.466 815 HB3 LEU 36 HB3 LEU 36 -3.473 9.960 13.850 816 HG LEU 36 HG LEU 36 -5.863 10.030 13.224 817 HD11 LEU 36 HD11 LEU 36 -6.014 12.205 12.082 818 HD12 LEU 36 HD12 LEU 36 -4.904 11.622 10.809 819 HD13 LEU 36 HD13 LEU 36 -6.513 10.897 11.012 820 HD21 LEU 36 HD21 LEU 36 -4.340 8.276 12.350 821 HD22 LEU 36 HD22 LEU 36 -5.687 8.634 11.251 822 HD23 LEU 36 HD23 LEU 36 -4.067 9.269 10.901 823 H PHE 37 H PHE 37 -3.948 11.217 16.534 824 HA PHE 37 HA PHE 37 -6.896 11.303 16.910 825 HB2 PHE 37 HB2 PHE 37 -4.799 9.758 18.462 826 HB3 PHE 37 HB3 PHE 37 -6.555 9.627 18.621 827 HD1 PHE 37 HD1 PHE 37 -7.916 8.923 16.535 828 HD2 PHE 37 HD2 PHE 37 -3.637 8.433 16.824 829 HE1 PHE 37 HE1 PHE 37 -7.960 7.401 14.579 830 HE2 PHE 37 HE2 PHE 37 -3.686 6.901 14.884 831 HZ PHE 37 HZ PHE 37 -5.846 6.395 13.744 832 H ASP 38 H ASP 38 -4.860 13.576 17.161 833 HA ASP 38 HA ASP 38 -4.510 15.409 18.365 834 HB2 ASP 38 HB2 ASP 38 -7.121 14.838 19.794 835 HB3 ASP 38 HB3 ASP 38 -6.299 16.386 19.636 836 H GLU 39 H GLU 39 -3.467 12.823 19.533 837 HA GLU 39 HA GLU 39 -3.170 13.472 22.395 838 HB2 GLU 39 HB2 GLU 39 -1.671 11.439 20.692 839 HB3 GLU 39 HB3 GLU 39 -1.550 11.627 22.432 840 HG2 GLU 39 HG2 GLU 39 -4.024 10.769 20.863 841 HG3 GLU 39 HG3 GLU 39 -2.982 9.736 21.822 842 H GLU 40 H GLU 40 -1.793 14.917 23.161 843 HA GLU 40 HA GLU 40 0.311 16.048 21.391 844 HB2 GLU 40 HB2 GLU 40 -1.273 17.634 22.279 845 HB3 GLU 40 HB3 GLU 40 -0.940 17.113 23.940 846 HG2 GLU 40 HG2 GLU 40 1.361 17.932 23.781 847 HG3 GLU 40 HG3 GLU 40 1.162 18.280 22.064 848 H HIS 41 H HIS 41 2.425 16.059 21.843 849 HA HIS 41 HA HIS 41 3.428 15.030 24.455 850 HB2 HIS 41 HB2 HIS 41 4.682 14.338 21.777 851 HB3 HIS 41 HB3 HIS 41 5.159 13.753 23.374 852 HD2 HIS 41 HD2 HIS 41 2.614 13.161 20.568 853 HE1 HIS 41 HE1 HIS 41 1.937 10.088 23.450 854 HE2 HIS 41 HE2 HIS 41 1.346 10.912 21.114 855 H ALA 42 H ALA 42 5.395 16.021 25.134 856 HA ALA 42 HA ALA 42 6.494 18.238 23.517 857 HB1 ALA 42 HB1 ALA 42 4.578 19.215 24.765 858 HB2 ALA 42 HB2 ALA 42 5.273 18.630 26.292 859 HB3 ALA 42 HB3 ALA 42 6.119 19.861 25.327 860 H PHE 43 H PHE 43 8.563 18.713 23.889 861 HA PHE 43 HA PHE 43 10.041 17.228 26.009 862 HB2 PHE 43 HB2 PHE 43 10.663 17.289 23.042 863 HB3 PHE 43 HB3 PHE 43 11.633 16.509 24.291 864 HD1 PHE 43 HD1 PHE 43 8.669 16.256 22.159 865 HD2 PHE 43 HD2 PHE 43 10.726 14.503 25.531 866 HE1 PHE 43 HE1 PHE 43 7.249 14.238 21.979 867 HE2 PHE 43 HE2 PHE 43 9.311 12.483 25.340 868 HZ PHE 43 HZ PHE 43 7.551 12.341 23.590 869 HA PRO 44 HA PRO 44 11.751 21.472 26.044 870 HB2 PRO 44 HB2 PRO 44 12.970 21.417 28.466 871 HB3 PRO 44 HB3 PRO 44 11.206 21.570 28.272 872 HG2 PRO 44 HG2 PRO 44 12.787 19.046 28.847 873 HG3 PRO 44 HG3 PRO 44 11.325 19.653 29.687 874 HD2 PRO 44 HD2 PRO 44 11.218 17.783 27.709 875 HD3 PRO 44 HD3 PRO 44 9.922 19.004 27.901 876 H GLY 45 H GLY 45 13.745 22.337 25.597 877 HA2 GLY 45 HA2 GLY 45 16.015 22.494 25.272 878 HA3 GLY 45 HA3 GLY 45 16.230 20.966 26.125 879 H LEU 46 H LEU 46 14.144 20.944 23.366 880 HA LEU 46 HA LEU 46 16.263 19.756 21.621 881 HB2 LEU 46 HB2 LEU 46 13.292 19.142 21.628 882 HB3 LEU 46 HB3 LEU 46 14.486 18.460 20.529 883 HG LEU 46 HG LEU 46 14.241 17.943 23.520 884 HD11 LEU 46 HD11 LEU 46 13.753 15.662 22.812 885 HD12 LEU 46 HD12 LEU 46 12.669 16.791 21.965 886 HD13 LEU 46 HD13 LEU 46 14.051 16.090 21.107 887 HD21 LEU 46 HD21 LEU 46 16.639 17.913 23.007 888 HD22 LEU 46 HD22 LEU 46 16.075 16.268 23.189 889 HD23 LEU 46 HD23 LEU 46 16.366 16.916 21.563 890 H ALA 47 H ALA 47 15.924 19.986 19.352 891 HA ALA 47 HA ALA 47 14.160 22.127 18.331 892 HB1 ALA 47 HB1 ALA 47 17.174 21.996 17.844 893 HB2 ALA 47 HB2 ALA 47 16.048 23.086 17.005 894 HB3 ALA 47 HB3 ALA 47 16.301 23.257 18.748 895 H ILE 48 H ILE 48 14.145 22.020 15.842 896 HA ILE 48 HA ILE 48 13.928 19.168 15.025 897 HB ILE 48 HB ILE 48 13.070 21.696 13.592 898 HG12 ILE 48 HG12 ILE 48 11.270 19.629 14.941 899 HG13 ILE 48 HG13 ILE 48 11.809 21.090 15.759 900 HG21 ILE 48 HG21 ILE 48 13.512 19.890 11.980 901 HG22 ILE 48 HG22 ILE 48 12.612 18.736 12.973 902 HG23 ILE 48 HG23 ILE 48 11.774 20.064 12.149 903 HD11 ILE 48 HD11 ILE 48 9.645 21.560 14.899 904 HD12 ILE 48 HD12 ILE 48 10.811 22.491 13.944 905 HD13 ILE 48 HD13 ILE 48 10.081 21.010 13.279 906 H GLY 49 H GLY 49 15.470 18.169 13.939 907 HA2 GLY 49 HA2 GLY 49 17.799 19.635 12.813 908 HA3 GLY 49 HA3 GLY 49 17.707 17.922 13.215 909 H ARG 50 H ARG 50 15.332 17.237 11.790 910 HA ARG 50 HA ARG 50 15.611 18.195 9.016 911 HB2 ARG 50 HB2 ARG 50 15.676 15.203 9.589 912 HB3 ARG 50 HB3 ARG 50 15.474 15.955 8.016 913 HG2 ARG 50 HG2 ARG 50 17.797 17.040 8.421 914 HG3 ARG 50 HG3 ARG 50 17.980 15.824 9.689 915 HD2 ARG 50 HD2 ARG 50 17.543 15.424 6.709 916 HD3 ARG 50 HD3 ARG 50 18.960 14.968 7.650 917 HE ARG 50 HE ARG 50 17.526 13.245 8.778 918 HH11 ARG 50 HH11 ARG 50 16.491 14.261 5.488 919 HH12 ARG 50 HH12 ARG 50 15.440 12.864 5.404 920 HH21 ARG 50 HH21 ARG 50 16.195 11.494 8.385 921 HH22 ARG 50 HH22 ARG 50 15.352 11.394 6.856 922 H VAL 51 H VAL 51 13.839 17.927 7.753 923 HA VAL 51 HA VAL 51 11.415 16.538 8.818 924 HB VAL 51 HB VAL 51 11.472 19.209 7.372 925 HG11 VAL 51 HG11 VAL 51 9.632 17.848 6.461 926 HG12 VAL 51 HG12 VAL 51 9.085 17.440 8.101 927 HG13 VAL 51 HG13 VAL 51 8.999 19.114 7.508 928 HG21 VAL 51 HG21 VAL 51 11.797 19.353 9.833 929 HG22 VAL 51 HG22 VAL 51 10.262 20.059 9.312 930 HG23 VAL 51 HG23 VAL 51 10.286 18.459 10.073 931 H ASP 52 H ASP 52 10.914 14.902 7.461 932 HA ASP 52 HA ASP 52 11.877 14.981 4.624 933 HB2 ASP 52 HB2 ASP 52 13.314 13.751 6.323 934 HB3 ASP 52 HB3 ASP 52 11.978 12.623 6.537 935 H LEU 53 H LEU 53 10.020 15.299 3.556 936 HA LEU 53 HA LEU 53 7.481 14.073 4.303 937 HB2 LEU 53 HB2 LEU 53 8.221 15.437 1.685 938 HB3 LEU 53 HB3 LEU 53 6.623 15.129 2.339 939 HG LEU 53 HG LEU 53 6.915 17.381 2.518 940 HD11 LEU 53 HD11 LEU 53 7.629 16.382 5.296 941 HD12 LEU 53 HD12 LEU 53 6.876 17.939 4.887 942 HD13 LEU 53 HD13 LEU 53 6.004 16.426 4.595 943 HD21 LEU 53 HD21 LEU 53 8.764 18.624 3.283 944 HD22 LEU 53 HD22 LEU 53 9.576 17.204 3.947 945 HD23 LEU 53 HD23 LEU 53 9.408 17.406 2.188 946 H ARG 54 H ARG 54 10.180 13.261 2.273 947 HA ARG 54 HA ARG 54 8.855 11.354 0.487 948 HB2 ARG 54 HB2 ARG 54 10.827 12.416 -0.302 949 HB3 ARG 54 HB3 ARG 54 11.665 12.183 1.206 950 HG2 ARG 54 HG2 ARG 54 11.670 9.632 0.608 951 HG3 ARG 54 HG3 ARG 54 11.196 10.169 -1.004 952 HD2 ARG 54 HD2 ARG 54 13.636 9.913 -0.862 953 HD3 ARG 54 HD3 ARG 54 13.239 11.636 -1.032 954 HE ARG 54 HE ARG 54 13.485 10.686 1.744 955 HH11 ARG 54 HH11 ARG 54 15.306 12.273 -0.849 956 HH12 ARG 54 HH12 ARG 54 16.323 13.075 0.336 957 HH21 ARG 54 HH21 ARG 54 14.820 11.815 3.085 958 HH22 ARG 54 HH22 ARG 54 16.105 12.795 2.368 959 H SER 55 H SER 55 10.979 10.995 3.346 960 HA SER 55 HA SER 55 10.370 8.130 3.573 961 HB2 SER 55 HB2 SER 55 11.918 9.966 5.426 962 HB3 SER 55 HB3 SER 55 11.875 8.194 5.502 963 HG SER 55 HG SER 55 13.702 9.095 4.359 964 H GLY 56 H GLY 56 8.971 11.036 4.909 965 HA2 GLY 56 HA2 GLY 56 7.081 11.308 6.228 966 HA3 GLY 56 HA3 GLY 56 6.923 9.555 6.380 967 H VAL 57 H VAL 57 9.572 11.837 7.258 968 HA VAL 57 HA VAL 57 9.443 10.919 10.095 969 HB VAL 57 HB VAL 57 11.955 10.849 8.384 970 HG11 VAL 57 HG11 VAL 57 11.548 10.204 11.344 971 HG12 VAL 57 HG12 VAL 57 13.011 9.830 10.411 972 HG13 VAL 57 HG13 VAL 57 12.564 11.505 10.665 973 HG21 VAL 57 HG21 VAL 57 11.946 8.415 8.893 974 HG22 VAL 57 HG22 VAL 57 10.342 8.591 9.646 975 HG23 VAL 57 HG23 VAL 57 10.561 8.911 7.917 976 H ILE 58 H ILE 58 10.037 12.398 11.613 977 HA ILE 58 HA ILE 58 11.445 14.891 10.756 978 HB ILE 58 HB ILE 58 9.303 14.777 12.911 979 HG12 ILE 58 HG12 ILE 58 8.346 16.609 11.191 980 HG13 ILE 58 HG13 ILE 58 9.186 15.622 10.015 981 HG21 ILE 58 HG21 ILE 58 11.078 16.395 13.434 982 HG22 ILE 58 HG22 ILE 58 10.973 17.077 11.803 983 HG23 ILE 58 HG23 ILE 58 9.627 17.255 12.942 984 HD11 ILE 58 HD11 ILE 58 6.984 14.778 11.968 985 HD12 ILE 58 HD12 ILE 58 6.861 14.936 10.212 986 HD13 ILE 58 HD13 ILE 58 7.829 13.632 10.917 987 H SER 59 H SER 59 13.350 15.083 11.665 988 HA SER 59 HA SER 59 14.080 13.273 13.933 989 HB2 SER 59 HB2 SER 59 15.369 13.001 11.857 990 HB3 SER 59 HB3 SER 59 15.841 14.713 11.925 991 HG SER 59 HG SER 59 17.413 13.239 12.836 992 H LEU 60 H LEU 60 14.316 14.110 15.891 993 HA LEU 60 HA LEU 60 14.647 17.051 16.261 994 HB2 LEU 60 HB2 LEU 60 13.644 14.824 18.034 995 HB3 LEU 60 HB3 LEU 60 14.093 16.386 18.677 996 HG LEU 60 HG LEU 60 12.343 17.517 17.480 997 HD11 LEU 60 HD11 LEU 60 11.737 14.874 16.133 998 HD12 LEU 60 HD12 LEU 60 10.597 16.246 16.217 999 HD13 LEU 60 HD13 LEU 60 12.141 16.442 15.403 1000 HD21 LEU 60 HD21 LEU 60 10.384 16.483 18.547 1001 HD22 LEU 60 HD22 LEU 60 11.261 14.964 18.735 1002 HD23 LEU 60 HD23 LEU 60 11.785 16.401 19.632 1003 H ILE 61 H ILE 61 16.238 17.885 17.491 1004 HA ILE 61 HA ILE 61 18.557 16.175 18.288 1005 HB ILE 61 HB ILE 61 20.111 17.712 17.279 1006 HG12 ILE 61 HG12 ILE 61 18.701 19.247 15.394 1007 HG13 ILE 61 HG13 ILE 61 17.758 19.445 16.864 1008 HG21 ILE 61 HG21 ILE 61 19.823 17.126 14.950 1009 HG22 ILE 61 HG22 ILE 61 19.341 15.767 15.983 1010 HG23 ILE 61 HG23 ILE 61 18.103 16.777 15.195 1011 HD11 ILE 61 HD11 ILE 61 19.785 20.147 18.088 1012 HD12 ILE 61 HD12 ILE 61 20.747 19.955 16.604 1013 HD13 ILE 61 HD13 ILE 61 19.465 21.182 16.683 1014 H GLU 62 H GLU 62 20.065 17.265 19.792 1015 HA GLU 62 HA GLU 62 18.553 18.633 21.867 1016 HB2 GLU 62 HB2 GLU 62 21.485 17.843 21.734 1017 HB3 GLU 62 HB3 GLU 62 20.643 18.530 23.129 1018 HG2 GLU 62 HG2 GLU 62 18.980 16.526 22.862 1019 HG3 GLU 62 HG3 GLU 62 20.234 15.807 21.845 1020 H GLU 63 H GLU 63 18.385 20.732 22.247 1021 HA GLU 63 HA GLU 63 19.847 22.692 20.604 1022 HB2 GLU 63 HB2 GLU 63 17.338 22.709 20.909 1023 HB3 GLU 63 HB3 GLU 63 17.605 23.098 22.614 1024 HG2 GLU 63 HG2 GLU 63 18.865 25.157 21.862 1025 HG3 GLU 63 HG3 GLU 63 18.477 24.734 20.197 1026 H GLN 64 H GLN 64 21.295 24.215 21.369 1027 HA GLN 64 HA GLN 64 22.395 23.791 24.069 1028 HB2 GLN 64 HB2 GLN 64 23.441 25.265 21.605 1029 HB3 GLN 64 HB3 GLN 64 24.264 25.250 23.160 1030 HG2 GLN 64 HG2 GLN 64 25.319 23.592 21.827 1031 HG3 GLN 64 HG3 GLN 64 24.417 22.792 23.105 1032 HE21 GLN 64 HE21 GLN 64 23.833 20.814 22.164 1033 HE22 GLN 64 HE22 GLN 64 22.830 20.743 20.709 1034 H ASN 65 H ASN 65 20.065 25.792 22.966 1035 HA ASN 65 HA ASN 65 20.772 28.253 24.328 1036 HB2 ASN 65 HB2 ASN 65 18.236 27.213 22.990 1037 HB3 ASN 65 HB3 ASN 65 18.415 28.821 23.620 1038 HD21 ASN 65 HD21 ASN 65 18.102 27.683 20.762 1039 HD22 ASN 65 HD22 ASN 65 19.378 28.539 19.895 1040 H ARG 66 H ARG 66 19.475 25.269 25.371 1041 HA ARG 66 HA ARG 66 17.545 26.115 27.309 1042 HB2 ARG 66 HB2 ARG 66 17.461 23.836 27.975 1043 HB3 ARG 66 HB3 ARG 66 17.600 23.907 26.217 1044 HG2 ARG 66 HG2 ARG 66 20.118 23.460 26.501 1045 HG3 ARG 66 HG3 ARG 66 19.768 23.131 28.211 1046 HD2 ARG 66 HD2 ARG 66 18.074 21.428 27.477 1047 HD3 ARG 66 HD3 ARG 66 18.577 21.710 25.801 1048 HE ARG 66 HE ARG 66 20.697 20.955 27.696 1049 HH11 ARG 66 HH11 ARG 66 18.548 19.714 25.143 1050 HH12 ARG 66 HH12 ARG 66 19.437 18.181 25.168 1051 HH21 ARG 66 HH21 ARG 66 21.712 18.965 27.466 1052 HH22 ARG 66 HH22 ARG 66 21.055 17.837 26.275 Start of MODEL 16 1 H1 GLY -3 H1 GLY -3 9.833 0.863 -9.868 2 H2 GLY -3 H2 GLY -3 9.155 0.170 -8.550 3 H3 GLY -3 H3 GLY -3 10.654 0.814 -8.447 4 HA2 GLY -3 HA2 GLY -3 9.795 3.029 -8.829 5 HA3 GLY -3 HA3 GLY -3 8.171 2.319 -8.954 6 HA PRO -2 HA PRO -2 9.384 3.332 -4.436 7 HB2 PRO -2 HB2 PRO -2 8.225 5.773 -4.039 8 HB3 PRO -2 HB3 PRO -2 9.863 5.578 -4.726 9 HG2 PRO -2 HG2 PRO -2 7.252 5.963 -6.224 10 HG3 PRO -2 HG3 PRO -2 8.777 6.879 -6.425 11 HD2 PRO -2 HD2 PRO -2 8.139 4.798 -8.054 12 HD3 PRO -2 HD3 PRO -2 9.832 5.076 -7.521 13 H GLY -1 H GLY -1 7.905 3.480 -2.622 14 HA2 GLY -1 HA2 GLY -1 5.181 2.408 -3.005 15 HA3 GLY -1 HA3 GLY -1 5.992 2.791 -1.493 16 H SER 0 H SER 0 4.142 3.879 -0.680 17 HA SER 0 HA SER 0 2.858 6.122 -1.888 18 HB2 SER 0 HB2 SER 0 3.274 5.540 1.069 19 HB3 SER 0 HB3 SER 0 2.063 6.632 0.378 20 HG SER 0 HG SER 0 1.078 4.847 -0.626 21 H MET 1 H MET 1 3.284 8.272 -1.920 22 HA MET 1 HA MET 1 5.830 9.293 -0.724 23 HB2 MET 1 HB2 MET 1 4.587 9.802 -3.446 24 HB3 MET 1 HB3 MET 1 5.856 10.821 -2.782 25 HG2 MET 1 HG2 MET 1 6.094 7.823 -3.227 26 HG3 MET 1 HG3 MET 1 6.648 9.042 -4.364 27 HE1 MET 1 HE1 MET 1 8.071 11.316 -2.528 28 HE2 MET 1 HE2 MET 1 9.725 10.672 -2.648 29 HE3 MET 1 HE3 MET 1 8.653 10.627 -4.063 30 H CYS 2 H CYS 2 5.954 11.452 -0.161 31 HA CYS 2 HA CYS 2 3.555 13.162 -0.171 32 HB2 CYS 2 HB2 CYS 2 3.222 12.102 1.904 33 HB3 CYS 2 HB3 CYS 2 4.919 12.157 2.335 34 H MET 3 H MET 3 4.038 15.348 0.001 35 HA MET 3 HA MET 3 6.793 16.302 0.247 36 HB2 MET 3 HB2 MET 3 6.883 17.436 -1.877 37 HB3 MET 3 HB3 MET 3 6.577 15.738 -2.155 38 HG2 MET 3 HG2 MET 3 5.201 16.759 -3.666 39 HG3 MET 3 HG3 MET 3 4.084 16.365 -2.360 40 HE1 MET 3 HE1 MET 3 2.682 19.713 -3.951 41 HE2 MET 3 HE2 MET 3 3.531 18.421 -4.815 42 HE3 MET 3 HE3 MET 3 2.323 18.010 -3.572 43 H ALA 4 H ALA 4 6.879 18.656 0.369 44 HA ALA 4 HA ALA 4 4.323 20.023 1.088 45 HB1 ALA 4 HB1 ALA 4 5.377 19.284 3.172 46 HB2 ALA 4 HB2 ALA 4 6.927 20.036 2.679 47 HB3 ALA 4 HB3 ALA 4 5.515 21.038 3.037 48 H LYS 5 H LYS 5 4.839 22.448 1.444 49 HA LYS 5 HA LYS 5 7.011 23.392 -0.392 50 HB2 LYS 5 HB2 LYS 5 5.905 25.470 -0.745 51 HB3 LYS 5 HB3 LYS 5 4.858 24.148 -1.246 52 HG2 LYS 5 HG2 LYS 5 3.519 24.414 0.836 53 HG3 LYS 5 HG3 LYS 5 4.618 25.710 1.378 54 HD2 LYS 5 HD2 LYS 5 4.064 26.983 -0.700 55 HD3 LYS 5 HD3 LYS 5 2.863 25.751 -1.123 56 HE2 LYS 5 HE2 LYS 5 1.585 26.232 0.909 57 HE3 LYS 5 HE3 LYS 5 2.864 27.307 1.499 58 HZ1 LYS 5 HZ1 LYS 5 1.114 28.615 0.526 59 HZ2 LYS 5 HZ2 LYS 5 2.454 28.747 -0.412 60 HZ3 LYS 5 HZ3 LYS 5 1.196 27.803 -0.898 61 H VAL 6 H VAL 6 8.493 24.740 0.371 62 HA VAL 6 HA VAL 6 8.552 25.349 3.292 63 HB VAL 6 HB VAL 6 10.661 25.341 1.132 64 HG11 VAL 6 HG11 VAL 6 10.898 26.851 3.759 65 HG12 VAL 6 HG12 VAL 6 12.251 26.398 2.691 66 HG13 VAL 6 HG13 VAL 6 11.025 27.528 2.128 67 HG21 VAL 6 HG21 VAL 6 10.641 24.340 4.013 68 HG22 VAL 6 HG22 VAL 6 10.222 23.347 2.609 69 HG23 VAL 6 HG23 VAL 6 11.857 24.006 2.776 70 H VAL 7 H VAL 7 8.228 27.353 4.052 71 HA VAL 7 HA VAL 7 8.303 29.665 2.216 72 HB VAL 7 HB VAL 7 5.959 28.986 2.262 73 HG11 VAL 7 HG11 VAL 7 4.570 29.186 4.244 74 HG12 VAL 7 HG12 VAL 7 5.835 27.981 4.537 75 HG13 VAL 7 HG13 VAL 7 5.970 29.601 5.250 76 HG21 VAL 7 HG21 VAL 7 5.007 31.151 2.752 77 HG22 VAL 7 HG22 VAL 7 6.386 31.589 3.782 78 HG23 VAL 7 HG23 VAL 7 6.604 31.373 2.022 79 H LEU 8 H LEU 8 9.127 31.476 3.084 80 HA LEU 8 HA LEU 8 9.676 31.719 5.957 81 HB2 LEU 8 HB2 LEU 8 12.051 31.565 5.811 82 HB3 LEU 8 HB3 LEU 8 11.358 30.144 5.075 83 HG LEU 8 HG LEU 8 11.691 31.493 2.798 84 HD11 LEU 8 HD11 LEU 8 12.608 33.579 3.763 85 HD12 LEU 8 HD12 LEU 8 13.804 32.659 4.684 86 HD13 LEU 8 HD13 LEU 8 13.888 32.740 2.912 87 HD21 LEU 8 HD21 LEU 8 13.876 30.393 2.557 88 HD22 LEU 8 HD22 LEU 8 13.919 30.092 4.306 89 HD23 LEU 8 HD23 LEU 8 12.675 29.328 3.287 90 H THR 9 H THR 9 10.789 33.707 6.510 91 HA THR 9 HA THR 9 10.608 35.857 4.438 92 HB THR 9 HB THR 9 9.855 36.280 7.341 93 HG1 THR 9 HG1 THR 9 8.363 34.978 6.359 94 HG21 THR 9 HG21 THR 9 10.588 38.330 6.196 95 HG22 THR 9 HG22 THR 9 9.483 37.980 4.841 96 HG23 THR 9 HG23 THR 9 8.835 38.360 6.446 97 H LYS 10 H LYS 10 12.413 36.924 4.170 98 HA LYS 10 HA LYS 10 14.844 36.344 5.632 99 HB2 LYS 10 HB2 LYS 10 14.155 38.474 3.557 100 HB3 LYS 10 HB3 LYS 10 15.781 38.124 4.145 101 HG2 LYS 10 HG2 LYS 10 15.699 35.863 3.242 102 HG3 LYS 10 HG3 LYS 10 14.017 36.069 2.744 103 HD2 LYS 10 HD2 LYS 10 15.377 36.338 0.798 104 HD3 LYS 10 HD3 LYS 10 14.728 37.920 1.219 105 HE2 LYS 10 HE2 LYS 10 16.912 38.446 2.365 106 HE3 LYS 10 HE3 LYS 10 17.524 36.867 1.853 107 HZ1 LYS 10 HZ1 LYS 10 17.225 37.598 -0.464 108 HZ2 LYS 10 HZ2 LYS 10 16.678 39.057 0.034 109 HZ3 LYS 10 HZ3 LYS 10 18.217 38.627 0.335 110 H ALA 11 H ALA 11 16.250 37.964 6.556 111 HA ALA 11 HA ALA 11 15.117 39.562 8.645 112 HB1 ALA 11 HB1 ALA 11 17.441 40.348 8.932 113 HB2 ALA 11 HB2 ALA 11 17.386 38.588 8.717 114 HB3 ALA 11 HB3 ALA 11 17.885 39.638 7.368 115 H ASP 12 H ASP 12 15.880 40.281 5.298 116 HA ASP 12 HA ASP 12 15.624 43.154 5.402 117 HB2 ASP 12 HB2 ASP 12 15.356 41.149 3.123 118 HB3 ASP 12 HB3 ASP 12 15.548 42.893 2.949 119 H GLY 13 H GLY 13 13.254 40.782 5.849 120 HA2 GLY 13 HA2 GLY 13 10.950 40.958 6.002 121 HA3 GLY 13 HA3 GLY 13 10.978 42.542 5.224 122 H GLY 14 H GLY 14 12.764 40.325 3.373 123 HA2 GLY 14 HA2 GLY 14 10.794 40.285 1.217 124 HA3 GLY 14 HA3 GLY 14 12.408 39.578 1.206 125 H ARG 15 H ARG 15 9.292 38.755 0.871 126 HA ARG 15 HA ARG 15 9.200 36.242 2.396 127 HB2 ARG 15 HB2 ARG 15 7.213 37.769 1.749 128 HB3 ARG 15 HB3 ARG 15 7.383 37.133 0.119 129 HG2 ARG 15 HG2 ARG 15 5.656 35.906 1.213 130 HG3 ARG 15 HG3 ARG 15 7.031 34.805 1.068 131 HD2 ARG 15 HD2 ARG 15 7.589 35.102 3.420 132 HD3 ARG 15 HD3 ARG 15 6.445 36.448 3.560 133 HE ARG 15 HE ARG 15 5.108 34.030 2.710 134 HH11 ARG 15 HH11 ARG 15 6.427 35.506 5.609 135 HH12 ARG 15 HH12 ARG 15 5.209 34.773 6.635 136 HH21 ARG 15 HH21 ARG 15 3.626 33.094 4.079 137 HH22 ARG 15 HH22 ARG 15 3.706 33.405 5.791 138 H VAL 16 H VAL 16 9.684 34.233 1.701 139 HA VAL 16 HA VAL 16 10.421 33.719 -1.153 140 HB VAL 16 HB VAL 16 12.081 33.029 1.285 141 HG11 VAL 16 HG11 VAL 16 12.186 31.138 -0.265 142 HG12 VAL 16 HG12 VAL 16 12.529 32.242 -1.621 143 HG13 VAL 16 HG13 VAL 16 13.705 32.016 -0.305 144 HG21 VAL 16 HG21 VAL 16 13.862 34.323 0.159 145 HG22 VAL 16 HG22 VAL 16 12.701 34.792 -1.108 146 HG23 VAL 16 HG23 VAL 16 12.477 35.317 0.591 147 H GLU 17 H GLU 17 9.784 31.767 -1.950 148 HA GLU 17 HA GLU 17 8.649 29.721 -0.140 149 HB2 GLU 17 HB2 GLU 17 6.846 31.274 -0.719 150 HB3 GLU 17 HB3 GLU 17 7.219 31.085 -2.439 151 HG2 GLU 17 HG2 GLU 17 6.565 28.721 -2.338 152 HG3 GLU 17 HG3 GLU 17 6.284 28.862 -0.595 153 H ILE 18 H ILE 18 8.886 27.642 -0.857 154 HA ILE 18 HA ILE 18 10.006 27.098 -3.586 155 HB ILE 18 HB ILE 18 11.006 25.973 -0.955 156 HG12 ILE 18 HG12 ILE 18 12.693 27.584 -2.902 157 HG13 ILE 18 HG13 ILE 18 11.813 28.354 -1.593 158 HG21 ILE 18 HG21 ILE 18 11.927 25.388 -3.802 159 HG22 ILE 18 HG22 ILE 18 12.683 24.763 -2.329 160 HG23 ILE 18 HG23 ILE 18 11.050 24.268 -2.732 161 HD11 ILE 18 HD11 ILE 18 12.972 27.018 0.098 162 HD12 ILE 18 HD12 ILE 18 13.896 26.186 -1.174 163 HD13 ILE 18 HD13 ILE 18 14.106 27.925 -0.931 164 H GLY 19 H GLY 19 8.773 25.628 -4.586 165 HA2 GLY 19 HA2 GLY 19 6.778 24.013 -3.115 166 HA3 GLY 19 HA3 GLY 19 6.887 24.227 -4.847 167 H ASP 20 H ASP 20 6.345 21.794 -3.863 168 HA ASP 20 HA ASP 20 6.837 19.609 -3.973 169 HB2 ASP 20 HB2 ASP 20 8.868 20.360 -6.086 170 HB3 ASP 20 HB3 ASP 20 7.959 18.863 -5.932 171 H VAL 21 H VAL 21 8.210 20.788 -1.833 172 HA VAL 21 HA VAL 21 10.959 19.865 -1.679 173 HB VAL 21 HB VAL 21 9.101 20.950 0.458 174 HG11 VAL 21 HG11 VAL 21 11.194 21.314 1.751 175 HG12 VAL 21 HG12 VAL 21 10.820 19.611 1.550 176 HG13 VAL 21 HG13 VAL 21 12.080 20.366 0.547 177 HG21 VAL 21 HG21 VAL 21 11.380 22.213 -1.131 178 HG22 VAL 21 HG22 VAL 21 9.647 22.591 -1.286 179 HG23 VAL 21 HG23 VAL 21 10.505 22.991 0.206 180 H LEU 22 H LEU 22 11.660 17.903 -1.151 181 HA LEU 22 HA LEU 22 9.881 15.959 0.257 182 HB2 LEU 22 HB2 LEU 22 12.532 15.606 -1.189 183 HB3 LEU 22 HB3 LEU 22 11.710 14.336 -0.288 184 HG LEU 22 HG LEU 22 10.656 15.702 -2.793 185 HD11 LEU 22 HD11 LEU 22 12.516 14.125 -3.180 186 HD12 LEU 22 HD12 LEU 22 11.674 12.877 -2.239 187 HD13 LEU 22 HD13 LEU 22 10.989 13.432 -3.772 188 HD21 LEU 22 HD21 LEU 22 8.886 13.965 -2.749 189 HD22 LEU 22 HD22 LEU 22 9.430 13.459 -1.128 190 HD23 LEU 22 HD23 LEU 22 8.760 15.086 -1.395 191 H GLU 23 H GLU 23 12.906 17.817 0.596 192 HA GLU 23 HA GLU 23 13.216 16.723 3.357 193 HB2 GLU 23 HB2 GLU 23 15.532 17.253 1.469 194 HB3 GLU 23 HB3 GLU 23 15.569 16.512 3.072 195 HG2 GLU 23 HG2 GLU 23 14.105 14.674 2.118 196 HG3 GLU 23 HG3 GLU 23 14.370 15.365 0.514 197 H VAL 24 H VAL 24 13.867 18.031 4.932 198 HA VAL 24 HA VAL 24 14.945 20.730 4.343 199 HB VAL 24 HB VAL 24 12.602 20.283 6.227 200 HG11 VAL 24 HG11 VAL 24 14.183 21.976 7.119 201 HG12 VAL 24 HG12 VAL 24 14.119 22.849 5.578 202 HG13 VAL 24 HG13 VAL 24 12.666 22.697 6.585 203 HG21 VAL 24 HG21 VAL 24 11.777 20.367 3.958 204 HG22 VAL 24 HG22 VAL 24 11.450 21.930 4.716 205 HG23 VAL 24 HG23 VAL 24 12.808 21.766 3.592 206 H ARG 25 H ARG 25 16.549 21.270 5.716 207 HA ARG 25 HA ARG 25 17.138 19.556 8.094 208 HB2 ARG 25 HB2 ARG 25 19.199 20.282 5.982 209 HB3 ARG 25 HB3 ARG 25 19.346 19.110 7.294 210 HG2 ARG 25 HG2 ARG 25 17.679 17.640 6.125 211 HG3 ARG 25 HG3 ARG 25 17.592 18.835 4.820 212 HD2 ARG 25 HD2 ARG 25 20.184 18.548 4.643 213 HD3 ARG 25 HD3 ARG 25 19.929 17.081 5.576 214 HE ARG 25 HE ARG 25 18.824 16.074 3.763 215 HH11 ARG 25 HH11 ARG 25 19.429 19.425 2.846 216 HH12 ARG 25 HH12 ARG 25 18.944 19.101 1.194 217 HH21 ARG 25 HH21 ARG 25 18.143 15.864 1.687 218 HH22 ARG 25 HH22 ARG 25 18.362 17.216 0.567 219 H ALA 26 H ALA 26 18.148 20.551 9.734 220 HA ALA 26 HA ALA 26 19.240 23.306 9.316 221 HB1 ALA 26 HB1 ALA 26 17.898 22.186 11.807 222 HB2 ALA 26 HB2 ALA 26 18.678 23.781 11.652 223 HB3 ALA 26 HB3 ALA 26 17.226 23.403 10.695 224 H GLU 27 H GLU 27 21.238 23.675 9.871 225 HA GLU 27 HA GLU 27 22.972 21.490 10.967 226 HB2 GLU 27 HB2 GLU 27 23.491 23.376 8.628 227 HB3 GLU 27 HB3 GLU 27 24.579 22.118 9.206 228 HG2 GLU 27 HG2 GLU 27 21.867 21.691 7.893 229 HG3 GLU 27 HG3 GLU 27 23.449 21.426 7.166 230 H GLY 28 H GLY 28 25.382 22.862 10.856 231 HA2 GLY 28 HA2 GLY 28 25.334 24.501 13.219 232 HA3 GLY 28 HA3 GLY 28 26.712 24.180 12.172 233 H GLY 29 H GLY 29 23.714 26.102 12.293 234 HA2 GLY 29 HA2 GLY 29 23.596 28.453 12.305 235 HA3 GLY 29 HA3 GLY 29 25.175 28.586 11.554 236 H ALA 30 H ALA 30 23.069 26.349 9.973 237 HA ALA 30 HA ALA 30 21.793 28.295 8.198 238 HB1 ALA 30 HB1 ALA 30 22.841 27.393 6.147 239 HB2 ALA 30 HB2 ALA 30 24.083 28.067 7.224 240 HB3 ALA 30 HB3 ALA 30 23.853 26.312 7.123 241 H VAL 31 H VAL 31 20.301 27.312 6.674 242 HA VAL 31 HA VAL 31 19.521 24.490 7.317 243 HB VAL 31 HB VAL 31 17.262 24.926 6.648 244 HG11 VAL 31 HG11 VAL 31 16.514 26.334 8.478 245 HG12 VAL 31 HG12 VAL 31 17.862 25.311 9.014 246 HG13 VAL 31 HG13 VAL 31 18.136 27.027 8.651 247 HG21 VAL 31 HG21 VAL 31 16.457 27.252 6.228 248 HG22 VAL 31 HG22 VAL 31 18.137 27.781 6.134 249 HG23 VAL 31 HG23 VAL 31 17.499 26.606 4.951 250 H ARG 32 H ARG 32 18.715 23.207 5.625 251 HA ARG 32 HA ARG 32 19.418 23.945 2.821 252 HB2 ARG 32 HB2 ARG 32 20.287 21.389 4.229 253 HB3 ARG 32 HB3 ARG 32 20.343 21.643 2.475 254 HG2 ARG 32 HG2 ARG 32 21.952 23.464 2.741 255 HG3 ARG 32 HG3 ARG 32 21.836 23.368 4.498 256 HD2 ARG 32 HD2 ARG 32 23.857 22.309 3.830 257 HD3 ARG 32 HD3 ARG 32 22.745 21.086 4.474 258 HE ARG 32 HE ARG 32 22.428 21.177 1.621 259 HH11 ARG 32 HH11 ARG 32 24.920 20.171 3.895 260 HH12 ARG 32 HH12 ARG 32 25.563 19.005 2.762 261 HH21 ARG 32 HH21 ARG 32 23.245 19.795 0.309 262 HH22 ARG 32 HH22 ARG 32 24.657 18.808 0.711 263 H VAL 33 H VAL 33 17.986 23.282 1.365 264 HA VAL 33 HA VAL 33 15.690 21.508 2.146 265 HB VAL 33 HB VAL 33 15.665 24.111 0.578 266 HG11 VAL 33 HG11 VAL 33 13.356 22.282 1.301 267 HG12 VAL 33 HG12 VAL 33 13.203 23.889 0.557 268 HG13 VAL 33 HG13 VAL 33 13.978 22.586 -0.344 269 HG21 VAL 33 HG21 VAL 33 15.863 24.555 2.958 270 HG22 VAL 33 HG22 VAL 33 14.228 24.944 2.427 271 HG23 VAL 33 HG23 VAL 33 14.537 23.439 3.324 272 H THR 34 H THR 34 15.179 19.869 0.651 273 HA THR 34 HA THR 34 16.276 20.150 -2.123 274 HB THR 34 HB THR 34 16.269 17.581 -0.536 275 HG1 THR 34 HG1 THR 34 18.432 19.219 -1.311 276 HG21 THR 34 HG21 THR 34 17.433 18.256 -3.269 277 HG22 THR 34 HG22 THR 34 17.768 16.777 -2.349 278 HG23 THR 34 HG23 THR 34 16.125 17.115 -2.911 279 H THR 35 H THR 35 15.023 19.582 -3.807 280 HA THR 35 HA THR 35 12.180 19.034 -3.207 281 HB THR 35 HB THR 35 11.632 19.916 -5.315 282 HG1 THR 35 HG1 THR 35 13.202 20.491 -6.800 283 HG21 THR 35 HG21 THR 35 13.897 21.668 -4.269 284 HG22 THR 35 HG22 THR 35 12.522 22.158 -5.284 285 HG23 THR 35 HG23 THR 35 12.235 21.615 -3.620 286 H LEU 36 H LEU 36 10.888 17.832 -4.734 287 HA LEU 36 HA LEU 36 11.518 15.139 -5.190 288 HB2 LEU 36 HB2 LEU 36 9.272 16.088 -5.024 289 HB3 LEU 36 HB3 LEU 36 9.549 17.074 -6.450 290 HG LEU 36 HG LEU 36 9.582 15.062 -7.884 291 HD11 LEU 36 HD11 LEU 36 8.821 12.892 -6.946 292 HD12 LEU 36 HD12 LEU 36 10.383 13.381 -6.269 293 HD13 LEU 36 HD13 LEU 36 8.894 13.580 -5.307 294 HD21 LEU 36 HD21 LEU 36 7.195 14.551 -7.717 295 HD22 LEU 36 HD22 LEU 36 7.142 15.226 -6.069 296 HD23 LEU 36 HD23 LEU 36 7.476 16.285 -7.454 297 H PHE 37 H PHE 37 12.329 17.910 -7.145 298 HA PHE 37 HA PHE 37 13.206 16.183 -9.409 299 HB2 PHE 37 HB2 PHE 37 12.562 19.144 -9.411 300 HB3 PHE 37 HB3 PHE 37 13.003 18.165 -10.809 301 HD1 PHE 37 HD1 PHE 37 11.517 16.124 -11.380 302 HD2 PHE 37 HD2 PHE 37 10.262 19.274 -8.718 303 HE1 PHE 37 HE1 PHE 37 9.152 15.379 -11.620 304 HE2 PHE 37 HE2 PHE 37 7.898 18.532 -8.966 305 HZ PHE 37 HZ PHE 37 7.346 16.569 -10.400 306 H ASP 38 H ASP 38 14.645 16.862 -6.810 307 HA ASP 38 HA ASP 38 16.714 17.083 -6.076 308 HB2 ASP 38 HB2 ASP 38 16.971 15.279 -7.834 309 HB3 ASP 38 HB3 ASP 38 17.698 16.491 -8.887 310 H GLU 39 H GLU 39 15.467 19.564 -6.975 311 HA GLU 39 HA GLU 39 17.802 21.340 -7.430 312 HB2 GLU 39 HB2 GLU 39 14.957 22.009 -6.589 313 HB3 GLU 39 HB3 GLU 39 16.223 23.172 -6.957 314 HG2 GLU 39 HG2 GLU 39 14.942 21.213 -8.912 315 HG3 GLU 39 HG3 GLU 39 14.641 22.946 -8.821 316 H GLU 40 H GLU 40 18.739 22.568 -5.765 317 HA GLU 40 HA GLU 40 17.932 21.958 -2.972 318 HB2 GLU 40 HB2 GLU 40 19.846 20.536 -3.449 319 HB3 GLU 40 HB3 GLU 40 20.790 21.938 -4.003 320 HG2 GLU 40 HG2 GLU 40 20.760 22.898 -1.763 321 HG3 GLU 40 HG3 GLU 40 19.626 21.683 -1.199 322 H HIS 41 H HIS 41 17.929 23.575 -1.577 323 HA HIS 41 HA HIS 41 18.998 26.257 -2.366 324 HB2 HIS 41 HB2 HIS 41 16.341 25.751 -0.956 325 HB3 HIS 41 HB3 HIS 41 17.003 27.296 -1.475 326 HD2 HIS 41 HD2 HIS 41 15.146 24.213 -2.769 327 HE1 HIS 41 HE1 HIS 41 15.419 26.881 -6.081 328 HE2 HIS 41 HE2 HIS 41 14.393 24.716 -5.251 329 H ALA 42 H ALA 42 19.875 27.445 -0.642 330 HA ALA 42 HA ALA 42 19.816 26.268 2.082 331 HB1 ALA 42 HB1 ALA 42 22.379 26.831 0.542 332 HB2 ALA 42 HB2 ALA 42 22.286 26.342 2.245 333 HB3 ALA 42 HB3 ALA 42 21.749 25.223 0.965 334 H PHE 43 H PHE 43 20.142 27.686 3.733 335 HA PHE 43 HA PHE 43 20.452 30.589 3.102 336 HB2 PHE 43 HB2 PHE 43 18.128 29.437 4.646 337 HB3 PHE 43 HB3 PHE 43 18.427 31.136 4.316 338 HD1 PHE 43 HD1 PHE 43 18.032 32.064 2.049 339 HD2 PHE 43 HD2 PHE 43 17.193 27.931 2.961 340 HE1 PHE 43 HE1 PHE 43 16.699 31.866 -0.046 341 HE2 PHE 43 HE2 PHE 43 15.899 27.732 0.851 342 HZ PHE 43 HZ PHE 43 15.649 29.699 -0.653 343 HA PRO 44 HA PRO 44 22.678 30.004 7.049 344 HB2 PRO 44 HB2 PRO 44 24.090 32.323 7.089 345 HB3 PRO 44 HB3 PRO 44 24.543 30.927 6.066 346 HG2 PRO 44 HG2 PRO 44 22.970 33.394 5.249 347 HG3 PRO 44 HG3 PRO 44 24.338 32.621 4.392 348 HD2 PRO 44 HD2 PRO 44 21.720 32.183 3.734 349 HD3 PRO 44 HD3 PRO 44 22.963 30.910 3.559 350 H GLY 45 H GLY 45 22.316 30.732 9.107 351 HA2 GLY 45 HA2 GLY 45 21.500 31.958 10.868 352 HA3 GLY 45 HA3 GLY 45 21.146 33.288 9.764 353 H LEU 46 H LEU 46 19.587 30.344 8.893 354 HA LEU 46 HA LEU 46 17.027 31.201 10.185 355 HB2 LEU 46 HB2 LEU 46 17.398 29.342 7.818 356 HB3 LEU 46 HB3 LEU 46 15.871 29.854 8.530 357 HG LEU 46 HG LEU 46 17.838 31.540 6.935 358 HD11 LEU 46 HD11 LEU 46 16.204 30.014 5.759 359 HD12 LEU 46 HD12 LEU 46 14.881 30.912 6.521 360 HD13 LEU 46 HD13 LEU 46 15.977 31.737 5.387 361 HD21 LEU 46 HD21 LEU 46 16.223 33.411 7.179 362 HD22 LEU 46 HD22 LEU 46 15.319 32.467 8.398 363 HD23 LEU 46 HD23 LEU 46 16.981 33.000 8.719 364 H ALA 47 H ALA 47 15.566 29.481 10.817 365 HA ALA 47 HA ALA 47 16.667 26.815 11.412 366 HB1 ALA 47 HB1 ALA 47 15.809 26.910 13.746 367 HB2 ALA 47 HB2 ALA 47 17.090 28.106 13.465 368 HB3 ALA 47 HB3 ALA 47 15.389 28.622 13.519 369 H ILE 48 H ILE 48 14.947 25.236 11.860 370 HA ILE 48 HA ILE 48 12.537 25.695 10.271 371 HB ILE 48 HB ILE 48 13.296 23.333 12.017 372 HG12 ILE 48 HG12 ILE 48 13.471 23.452 8.978 373 HG13 ILE 48 HG13 ILE 48 14.850 23.859 10.007 374 HG21 ILE 48 HG21 ILE 48 11.154 23.611 9.851 375 HG22 ILE 48 HG22 ILE 48 11.576 22.116 10.694 376 HG23 ILE 48 HG23 ILE 48 10.859 23.444 11.598 377 HD11 ILE 48 HD11 ILE 48 15.102 21.588 9.328 378 HD12 ILE 48 HD12 ILE 48 14.751 21.612 11.062 379 HD13 ILE 48 HD13 ILE 48 13.475 21.157 9.891 380 H GLY 49 H GLY 49 10.659 26.509 10.990 381 HA2 GLY 49 HA2 GLY 49 10.308 27.132 13.880 382 HA3 GLY 49 HA3 GLY 49 9.472 27.854 12.508 383 H ARG 50 H ARG 50 8.363 25.809 11.162 384 HA ARG 50 HA ARG 50 6.992 23.909 12.961 385 HB2 ARG 50 HB2 ARG 50 5.449 26.065 11.429 386 HB3 ARG 50 HB3 ARG 50 4.753 24.522 11.892 387 HG2 ARG 50 HG2 ARG 50 4.021 25.649 13.668 388 HG3 ARG 50 HG3 ARG 50 5.582 25.188 14.332 389 HD2 ARG 50 HD2 ARG 50 6.469 27.468 13.639 390 HD3 ARG 50 HD3 ARG 50 4.867 27.854 13.023 391 HE ARG 50 HE ARG 50 4.062 28.146 15.189 392 HH11 ARG 50 HH11 ARG 50 7.275 26.730 15.469 393 HH12 ARG 50 HH12 ARG 50 7.389 27.140 17.165 394 HH21 ARG 50 HH21 ARG 50 4.271 28.508 17.414 395 HH22 ARG 50 HH22 ARG 50 5.716 27.926 18.230 396 H VAL 51 H VAL 51 6.085 22.195 11.982 397 HA VAL 51 HA VAL 51 6.427 21.786 9.028 398 HB VAL 51 HB VAL 51 7.218 19.851 11.251 399 HG11 VAL 51 HG11 VAL 51 8.018 18.368 9.431 400 HG12 VAL 51 HG12 VAL 51 6.274 18.598 9.361 401 HG13 VAL 51 HG13 VAL 51 7.319 19.467 8.222 402 HG21 VAL 51 HG21 VAL 51 9.488 20.006 10.399 403 HG22 VAL 51 HG22 VAL 51 8.987 21.197 9.178 404 HG23 VAL 51 HG23 VAL 51 8.934 21.598 10.901 405 H ASP 52 H ASP 52 4.331 21.724 8.389 406 HA ASP 52 HA ASP 52 2.319 20.266 10.051 407 HB2 ASP 52 HB2 ASP 52 1.883 22.363 7.918 408 HB3 ASP 52 HB3 ASP 52 0.647 21.579 8.895 409 H LEU 53 H LEU 53 2.225 18.175 9.382 410 HA LEU 53 HA LEU 53 2.990 17.374 6.720 411 HB2 LEU 53 HB2 LEU 53 1.559 15.794 8.920 412 HB3 LEU 53 HB3 LEU 53 2.179 15.124 7.426 413 HG LEU 53 HG LEU 53 3.665 14.522 9.091 414 HD11 LEU 53 HD11 LEU 53 4.693 15.217 6.954 415 HD12 LEU 53 HD12 LEU 53 5.005 16.834 7.637 416 HD13 LEU 53 HD13 LEU 53 5.791 15.400 8.331 417 HD21 LEU 53 HD21 LEU 53 4.859 15.923 10.611 418 HD22 LEU 53 HD22 LEU 53 4.146 17.394 9.927 419 HD23 LEU 53 HD23 LEU 53 3.137 16.206 10.801 420 H ARG 54 H ARG 54 -0.193 17.504 8.325 421 HA ARG 54 HA ARG 54 -1.671 16.483 6.088 422 HB2 ARG 54 HB2 ARG 54 -2.345 16.500 8.472 423 HB3 ARG 54 HB3 ARG 54 -2.667 18.224 8.396 424 HG2 ARG 54 HG2 ARG 54 -4.031 16.201 6.560 425 HG3 ARG 54 HG3 ARG 54 -4.626 16.503 8.183 426 HD2 ARG 54 HD2 ARG 54 -4.482 18.562 5.948 427 HD3 ARG 54 HD3 ARG 54 -5.910 17.719 6.522 428 HE ARG 54 HE ARG 54 -4.865 18.949 8.786 429 HH11 ARG 54 HH11 ARG 54 -6.162 20.057 5.731 430 HH12 ARG 54 HH12 ARG 54 -6.664 21.592 6.394 431 HH21 ARG 54 HH21 ARG 54 -5.541 20.917 9.570 432 HH22 ARG 54 HH22 ARG 54 -6.344 22.040 8.516 433 H SER 55 H SER 55 -0.915 19.795 7.043 434 HA SER 55 HA SER 55 -2.394 21.081 4.902 435 HB2 SER 55 HB2 SER 55 -1.786 22.164 7.078 436 HB3 SER 55 HB3 SER 55 -0.082 22.101 6.594 437 HG SER 55 HG SER 55 -2.225 23.584 5.422 438 H GLY 56 H GLY 56 0.901 19.805 5.203 439 HA2 GLY 56 HA2 GLY 56 2.490 19.365 3.592 440 HA3 GLY 56 HA3 GLY 56 1.413 19.995 2.338 441 H VAL 57 H VAL 57 2.625 21.601 5.303 442 HA VAL 57 HA VAL 57 4.144 23.583 3.666 443 HB VAL 57 HB VAL 57 2.083 24.319 5.770 444 HG11 VAL 57 HG11 VAL 57 3.961 25.883 5.883 445 HG12 VAL 57 HG12 VAL 57 3.940 26.085 4.114 446 HG13 VAL 57 HG13 VAL 57 2.587 26.666 5.110 447 HG21 VAL 57 HG21 VAL 57 0.990 23.759 3.643 448 HG22 VAL 57 HG22 VAL 57 0.945 25.498 3.909 449 HG23 VAL 57 HG23 VAL 57 2.124 24.809 2.764 450 H ILE 58 H ILE 58 6.003 24.248 4.485 451 HA ILE 58 HA ILE 58 6.694 23.655 7.343 452 HB ILE 58 HB ILE 58 8.435 23.352 4.877 453 HG12 ILE 58 HG12 ILE 58 7.629 21.292 6.961 454 HG13 ILE 58 HG13 ILE 58 6.791 21.470 5.413 455 HG21 ILE 58 HG21 ILE 58 9.136 23.209 7.856 456 HG22 ILE 58 HG22 ILE 58 10.195 22.620 6.559 457 HG23 ILE 58 HG23 ILE 58 9.793 24.323 6.644 458 HD11 ILE 58 HD11 ILE 58 9.672 20.591 5.767 459 HD12 ILE 58 HD12 ILE 58 8.291 19.648 5.203 460 HD13 ILE 58 HD13 ILE 58 8.895 20.979 4.204 461 H SER 59 H SER 59 7.126 25.386 8.467 462 HA SER 59 HA SER 59 7.626 28.005 7.111 463 HB2 SER 59 HB2 SER 59 5.695 27.881 8.632 464 HB3 SER 59 HB3 SER 59 6.761 27.346 9.945 465 HG SER 59 HG SER 59 6.678 29.869 8.643 466 H LEU 60 H LEU 60 9.644 28.817 7.124 467 HA LEU 60 HA LEU 60 11.570 27.984 9.263 468 HB2 LEU 60 HB2 LEU 60 12.420 29.035 6.575 469 HB3 LEU 60 HB3 LEU 60 13.399 28.269 7.800 470 HG LEU 60 HG LEU 60 11.271 26.881 6.092 471 HD11 LEU 60 HD11 LEU 60 13.315 27.546 4.844 472 HD12 LEU 60 HD12 LEU 60 14.302 26.677 6.046 473 HD13 LEU 60 HD13 LEU 60 13.169 25.787 5.014 474 HD21 LEU 60 HD21 LEU 60 13.267 25.745 8.096 475 HD22 LEU 60 HD22 LEU 60 11.497 25.754 8.273 476 HD23 LEU 60 HD23 LEU 60 12.239 24.796 6.996 477 H ILE 61 H ILE 61 12.798 29.543 10.264 478 HA ILE 61 HA ILE 61 11.932 32.387 9.983 479 HB ILE 61 HB ILE 61 11.492 32.522 12.361 480 HG12 ILE 61 HG12 ILE 61 11.115 29.795 13.167 481 HG13 ILE 61 HG13 ILE 61 12.745 29.882 12.501 482 HG21 ILE 61 HG21 ILE 61 9.348 31.424 12.453 483 HG22 ILE 61 HG22 ILE 61 9.627 32.047 10.826 484 HG23 ILE 61 HG23 ILE 61 9.797 30.311 11.150 485 HD11 ILE 61 HD11 ILE 61 13.184 31.866 13.942 486 HD12 ILE 61 HD12 ILE 61 11.597 31.646 14.701 487 HD13 ILE 61 HD13 ILE 61 12.836 30.382 14.858 488 H GLU 62 H GLU 62 13.232 33.909 11.263 489 HA GLU 62 HA GLU 62 16.057 33.489 10.849 490 HB2 GLU 62 HB2 GLU 62 14.787 35.707 12.500 491 HB3 GLU 62 HB3 GLU 62 16.366 35.668 11.728 492 HG2 GLU 62 HG2 GLU 62 15.332 36.921 10.180 493 HG3 GLU 62 HG3 GLU 62 14.865 35.358 9.508 494 H GLU 63 H GLU 63 17.552 32.621 12.175 495 HA GLU 63 HA GLU 63 16.690 30.880 14.094 496 HB2 GLU 63 HB2 GLU 63 18.702 30.621 12.799 497 HB3 GLU 63 HB3 GLU 63 19.512 31.925 13.677 498 HG2 GLU 63 HG2 GLU 63 19.536 30.626 15.721 499 HG3 GLU 63 HG3 GLU 63 18.416 29.431 15.042 500 H GLN 64 H GLN 64 15.627 31.370 15.821 501 HA GLN 64 HA GLN 64 16.916 32.814 18.092 502 HB2 GLN 64 HB2 GLN 64 14.081 33.048 17.047 503 HB3 GLN 64 HB3 GLN 64 14.543 33.569 18.668 504 HG2 GLN 64 HG2 GLN 64 15.915 35.314 17.891 505 HG3 GLN 64 HG3 GLN 64 16.041 34.657 16.261 506 HE21 GLN 64 HE21 GLN 64 14.063 34.649 14.886 507 HE22 GLN 64 HE22 GLN 64 12.889 35.952 15.130 508 H ASN 65 H ASN 65 17.166 30.146 17.558 509 HA ASN 65 HA ASN 65 15.252 28.409 18.822 510 HB2 ASN 65 HB2 ASN 65 16.772 27.916 16.892 511 HB3 ASN 65 HB3 ASN 65 18.152 28.036 17.966 512 HD21 ASN 65 HD21 ASN 65 18.897 25.956 17.757 513 HD22 ASN 65 HD22 ASN 65 17.972 24.549 18.250 514 H ARG 66 H ARG 66 17.236 30.544 20.376 515 HA ARG 66 HA ARG 66 18.349 28.887 22.521 516 HB2 ARG 66 HB2 ARG 66 19.194 30.934 23.432 517 HB3 ARG 66 HB3 ARG 66 19.551 30.858 21.701 518 HG2 ARG 66 HG2 ARG 66 17.532 32.392 21.330 519 HG3 ARG 66 HG3 ARG 66 17.420 32.560 23.086 520 HD2 ARG 66 HD2 ARG 66 19.748 33.400 21.310 521 HD3 ARG 66 HD3 ARG 66 18.587 34.461 22.099 522 HE ARG 66 HE ARG 66 19.557 33.952 24.246 523 HH11 ARG 66 HH11 ARG 66 21.529 32.647 21.618 524 HH12 ARG 66 HH12 ARG 66 22.743 32.103 22.768 525 HH21 ARG 66 HH21 ARG 66 21.276 33.266 25.549 526 HH22 ARG 66 HH22 ARG 66 22.609 32.416 24.765 527 H1 GLY -3 H1 GLY -3 -6.420 9.509 0.145 528 H2 GLY -3 H2 GLY -3 -6.464 10.306 1.571 529 H3 GLY -3 H3 GLY -3 -6.995 8.758 1.492 530 HA2 GLY -3 HA2 GLY -3 -4.841 8.808 2.539 531 HA3 GLY -3 HA3 GLY -3 -4.786 7.964 0.978 532 HA PRO -2 HA PRO -2 -1.173 10.768 1.010 533 HB2 PRO -2 HB2 PRO -2 -0.647 9.077 -1.439 534 HB3 PRO -2 HB3 PRO -2 0.509 9.676 -0.200 535 HG2 PRO -2 HG2 PRO -2 -0.395 7.133 -0.077 536 HG3 PRO -2 HG3 PRO -2 -0.337 8.118 1.422 537 HD2 PRO -2 HD2 PRO -2 -2.720 7.527 -0.338 538 HD3 PRO -2 HD3 PRO -2 -2.604 7.506 1.446 539 H GLY -1 H GLY -1 -0.624 12.589 -0.091 540 HA2 GLY -1 HA2 GLY -1 -0.606 14.277 -1.706 541 HA3 GLY -1 HA3 GLY -1 -1.626 13.292 -2.755 542 H SER 0 H SER 0 -3.850 12.838 -1.130 543 HA SER 0 HA SER 0 -5.241 15.398 -0.949 544 HB2 SER 0 HB2 SER 0 -6.397 13.306 -1.559 545 HB3 SER 0 HB3 SER 0 -5.994 12.628 0.023 546 HG SER 0 HG SER 0 -7.707 14.831 -0.554 547 H MET 1 H MET 1 -3.693 13.161 1.327 548 HA MET 1 HA MET 1 -3.219 15.371 3.202 549 HB2 MET 1 HB2 MET 1 -3.972 14.140 5.173 550 HB3 MET 1 HB3 MET 1 -5.291 14.443 4.062 551 HG2 MET 1 HG2 MET 1 -5.609 12.280 4.900 552 HG3 MET 1 HG3 MET 1 -5.099 12.093 3.234 553 HE1 MET 1 HE1 MET 1 -2.621 10.967 7.010 554 HE2 MET 1 HE2 MET 1 -2.937 12.663 6.611 555 HE3 MET 1 HE3 MET 1 -4.286 11.574 7.010 556 H CYS 2 H CYS 2 -1.738 14.511 5.023 557 HA CYS 2 HA CYS 2 -0.039 12.244 4.395 558 HB2 CYS 2 HB2 CYS 2 0.967 13.773 2.899 559 HB3 CYS 2 HB3 CYS 2 0.959 15.080 4.054 560 H MET 3 H MET 3 1.433 11.745 6.065 561 HA MET 3 HA MET 3 1.322 13.084 8.668 562 HB2 MET 3 HB2 MET 3 0.469 11.135 9.866 563 HB3 MET 3 HB3 MET 3 -0.716 11.713 8.693 564 HG2 MET 3 HG2 MET 3 0.216 9.917 7.094 565 HG3 MET 3 HG3 MET 3 1.046 9.236 8.492 566 HE1 MET 3 HE1 MET 3 -1.900 7.999 10.731 567 HE2 MET 3 HE2 MET 3 -0.143 8.155 10.528 568 HE3 MET 3 HE3 MET 3 -1.136 9.608 10.855 569 H ALA 4 H ALA 4 2.862 12.096 10.181 570 HA ALA 4 HA ALA 4 5.043 10.480 8.924 571 HB1 ALA 4 HB1 ALA 4 6.686 12.201 9.591 572 HB2 ALA 4 HB2 ALA 4 5.481 12.869 8.486 573 HB3 ALA 4 HB3 ALA 4 5.384 13.212 10.227 574 H LYS 5 H LYS 5 6.887 10.286 10.661 575 HA LYS 5 HA LYS 5 5.792 10.090 13.427 576 HB2 LYS 5 HB2 LYS 5 7.034 8.131 13.948 577 HB3 LYS 5 HB3 LYS 5 5.981 7.810 12.571 578 HG2 LYS 5 HG2 LYS 5 7.942 7.999 11.041 579 HG3 LYS 5 HG3 LYS 5 8.991 8.325 12.436 580 HD2 LYS 5 HD2 LYS 5 8.359 6.109 13.392 581 HD3 LYS 5 HD3 LYS 5 7.338 5.807 11.984 582 HE2 LYS 5 HE2 LYS 5 9.364 4.619 11.630 583 HE3 LYS 5 HE3 LYS 5 9.377 5.995 10.521 584 HZ1 LYS 5 HZ1 LYS 5 11.514 5.681 11.660 585 HZ2 LYS 5 HZ2 LYS 5 10.880 7.126 12.090 586 HZ3 LYS 5 HZ3 LYS 5 10.824 5.859 13.125 587 H VAL 6 H VAL 6 7.045 10.773 15.040 588 HA VAL 6 HA VAL 6 9.497 12.325 14.350 589 HB VAL 6 HB VAL 6 7.597 12.433 16.678 590 HG11 VAL 6 HG11 VAL 6 9.734 12.401 17.835 591 HG12 VAL 6 HG12 VAL 6 10.426 13.545 16.661 592 HG13 VAL 6 HG13 VAL 6 9.152 14.058 17.783 593 HG21 VAL 6 HG21 VAL 6 7.326 13.877 14.613 594 HG22 VAL 6 HG22 VAL 6 7.543 14.787 16.117 595 HG23 VAL 6 HG23 VAL 6 8.894 14.606 14.981 596 H VAL 7 H VAL 7 11.479 11.829 15.140 597 HA VAL 7 HA VAL 7 11.759 9.611 17.091 598 HB VAL 7 HB VAL 7 12.176 8.628 14.923 599 HG11 VAL 7 HG11 VAL 7 12.983 10.583 13.638 600 HG12 VAL 7 HG12 VAL 7 14.473 10.615 14.605 601 HG13 VAL 7 HG13 VAL 7 14.131 9.239 13.550 602 HG21 VAL 7 HG21 VAL 7 14.295 7.586 15.391 603 HG22 VAL 7 HG22 VAL 7 14.815 8.936 16.414 604 HG23 VAL 7 HG23 VAL 7 13.479 7.882 16.930 605 H LEU 8 H LEU 8 13.283 9.835 18.612 606 HA LEU 8 HA LEU 8 15.315 11.932 18.555 607 HB2 LEU 8 HB2 LEU 8 14.530 13.151 20.477 608 HB3 LEU 8 HB3 LEU 8 13.259 13.098 19.289 609 HG LEU 8 HG LEU 8 12.506 10.939 20.767 610 HD11 LEU 8 HD11 LEU 8 14.286 11.212 22.480 611 HD12 LEU 8 HD12 LEU 8 13.784 12.891 22.746 612 HD13 LEU 8 HD13 LEU 8 12.696 11.552 23.169 613 HD21 LEU 8 HD21 LEU 8 11.078 12.849 20.157 614 HD22 LEU 8 HD22 LEU 8 10.880 12.403 21.856 615 HD23 LEU 8 HD23 LEU 8 11.840 13.830 21.429 616 H THR 9 H THR 9 16.667 11.844 20.610 617 HA THR 9 HA THR 9 16.683 9.123 21.850 618 HB THR 9 HB THR 9 19.219 10.520 20.940 619 HG1 THR 9 HG1 THR 9 18.042 9.889 19.171 620 HG21 THR 9 HG21 THR 9 18.655 7.675 21.876 621 HG22 THR 9 HG22 THR 9 20.212 8.280 21.282 622 HG23 THR 9 HG23 THR 9 19.544 8.914 22.796 623 H LYS 10 H LYS 10 16.888 9.103 23.963 624 HA LYS 10 HA LYS 10 16.850 11.540 25.537 625 HB2 LYS 10 HB2 LYS 10 17.015 8.579 26.169 626 HB3 LYS 10 HB3 LYS 10 16.928 9.816 27.428 627 HG2 LYS 10 HG2 LYS 10 14.759 10.588 26.502 628 HG3 LYS 10 HG3 LYS 10 14.788 9.257 25.326 629 HD2 LYS 10 HD2 LYS 10 14.984 8.901 28.351 630 HD3 LYS 10 HD3 LYS 10 13.447 8.814 27.461 631 HE2 LYS 10 HE2 LYS 10 14.050 6.834 26.343 632 HE3 LYS 10 HE3 LYS 10 15.771 7.047 26.676 633 HZ1 LYS 10 HZ1 LYS 10 13.792 6.490 28.806 634 HZ2 LYS 10 HZ2 LYS 10 14.745 5.358 28.112 635 HZ3 LYS 10 HZ3 LYS 10 15.428 6.571 28.966 636 H ALA 11 H ALA 11 18.192 11.890 27.411 637 HA ALA 11 HA ALA 11 21.022 12.014 26.903 638 HB1 ALA 11 HB1 ALA 11 19.773 13.648 28.258 639 HB2 ALA 11 HB2 ALA 11 19.425 12.394 29.476 640 HB3 ALA 11 HB3 ALA 11 21.090 12.920 29.187 641 H ASP 12 H ASP 12 19.003 9.561 28.579 642 HA ASP 12 HA ASP 12 21.267 8.124 29.692 643 HB2 ASP 12 HB2 ASP 12 19.617 6.577 30.433 644 HB3 ASP 12 HB3 ASP 12 19.054 8.206 30.758 645 H GLY 13 H GLY 13 20.296 8.501 26.538 646 HA2 GLY 13 HA2 GLY 13 21.286 7.533 24.673 647 HA3 GLY 13 HA3 GLY 13 21.724 6.099 25.602 648 H GLY 14 H GLY 14 18.455 6.734 26.261 649 HA2 GLY 14 HA2 GLY 14 17.621 4.417 24.698 650 HA3 GLY 14 HA3 GLY 14 16.625 5.399 25.761 651 H ARG 15 H ARG 15 16.675 4.354 22.761 652 HA ARG 15 HA ARG 15 16.065 6.749 21.200 653 HB2 ARG 15 HB2 ARG 15 17.028 4.466 20.398 654 HB3 ARG 15 HB3 ARG 15 15.380 3.869 20.521 655 HG2 ARG 15 HG2 ARG 15 15.826 4.468 18.241 656 HG3 ARG 15 HG3 ARG 15 14.674 5.657 18.854 657 HD2 ARG 15 HD2 ARG 15 16.385 7.343 19.036 658 HD3 ARG 15 HD3 ARG 15 17.680 6.145 18.853 659 HE ARG 15 HE ARG 15 16.013 6.083 16.540 660 HH11 ARG 15 HH11 ARG 15 18.430 8.163 17.987 661 HH12 ARG 15 HH12 ARG 15 19.033 8.691 16.433 662 HH21 ARG 15 HH21 ARG 15 16.834 6.810 14.592 663 HH22 ARG 15 HH22 ARG 15 18.101 8.001 14.576 664 H VAL 16 H VAL 16 14.100 7.607 20.689 665 HA VAL 16 HA VAL 16 11.594 6.429 21.829 666 HB VAL 16 HB VAL 16 12.718 9.212 22.286 667 HG11 VAL 16 HG11 VAL 16 10.654 9.750 23.522 668 HG12 VAL 16 HG12 VAL 16 10.352 9.534 21.803 669 HG13 VAL 16 HG13 VAL 16 9.915 8.235 22.944 670 HG21 VAL 16 HG21 VAL 16 13.508 7.561 23.914 671 HG22 VAL 16 HG22 VAL 16 12.372 8.667 24.682 672 HG23 VAL 16 HG23 VAL 16 11.842 7.035 24.228 673 H GLU 17 H GLU 17 9.751 6.857 20.706 674 HA GLU 17 HA GLU 17 9.861 8.572 18.289 675 HB2 GLU 17 HB2 GLU 17 9.083 5.632 18.266 676 HB3 GLU 17 HB3 GLU 17 8.727 6.765 16.967 677 HG2 GLU 17 HG2 GLU 17 11.162 7.229 16.726 678 HG3 GLU 17 HG3 GLU 17 11.501 5.938 17.889 679 H ILE 18 H ILE 18 7.881 9.225 17.476 680 HA ILE 18 HA ILE 18 5.388 8.573 18.990 681 HB ILE 18 HB ILE 18 6.193 11.322 17.995 682 HG12 ILE 18 HG12 ILE 18 5.563 10.573 20.868 683 HG13 ILE 18 HG13 ILE 18 7.208 10.516 20.244 684 HG21 ILE 18 HG21 ILE 18 3.610 10.420 19.335 685 HG22 ILE 18 HG22 ILE 18 4.027 12.095 18.920 686 HG23 ILE 18 HG23 ILE 18 3.780 10.927 17.637 687 HD11 ILE 18 HD11 ILE 18 5.510 13.029 20.251 688 HD12 ILE 18 HD12 ILE 18 6.795 12.620 21.388 689 HD13 ILE 18 HD13 ILE 18 7.178 12.881 19.676 690 H GLY 19 H GLY 19 3.956 7.697 17.640 691 HA2 GLY 19 HA2 GLY 19 4.290 7.841 14.701 692 HA3 GLY 19 HA3 GLY 19 3.232 6.765 15.579 693 H ASP 20 H ASP 20 2.395 8.012 13.345 694 HA ASP 20 HA ASP 20 0.792 9.243 12.376 695 HB2 ASP 20 HB2 ASP 20 -0.783 9.027 14.944 696 HB3 ASP 20 HB3 ASP 20 -1.376 9.078 13.296 697 H VAL 21 H VAL 21 2.753 10.920 13.206 698 HA VAL 21 HA VAL 21 1.769 13.221 14.673 699 HB VAL 21 HB VAL 21 4.246 12.874 12.954 700 HG11 VAL 21 HG11 VAL 21 5.082 14.858 14.176 701 HG12 VAL 21 HG12 VAL 21 3.747 15.253 13.104 702 HG13 VAL 21 HG13 VAL 21 3.466 15.121 14.863 703 HG21 VAL 21 HG21 VAL 21 3.804 12.824 15.985 704 HG22 VAL 21 HG22 VAL 21 4.184 11.426 14.975 705 HG23 VAL 21 HG23 VAL 21 5.375 12.713 15.165 706 H LEU 22 H LEU 22 0.721 14.923 14.010 707 HA LEU 22 HA LEU 22 -0.025 15.230 11.151 708 HB2 LEU 22 HB2 LEU 22 -1.668 14.996 13.192 709 HB3 LEU 22 HB3 LEU 22 -1.243 16.668 13.525 710 HG LEU 22 HG LEU 22 -1.936 17.076 11.016 711 HD11 LEU 22 HD11 LEU 22 -3.247 14.418 11.578 712 HD12 LEU 22 HD12 LEU 22 -3.679 15.492 10.228 713 HD13 LEU 22 HD13 LEU 22 -2.071 14.747 10.294 714 HD21 LEU 22 HD21 LEU 22 -4.298 17.337 11.669 715 HD22 LEU 22 HD22 LEU 22 -4.023 16.316 13.091 716 HD23 LEU 22 HD23 LEU 22 -3.224 17.898 12.957 717 H GLU 23 H GLU 23 1.486 16.945 13.877 718 HA GLU 23 HA GLU 23 2.952 18.618 12.048 719 HB2 GLU 23 HB2 GLU 23 2.221 20.799 12.889 720 HB3 GLU 23 HB3 GLU 23 0.925 19.942 12.069 721 HG2 GLU 23 HG2 GLU 23 0.065 19.246 14.375 722 HG3 GLU 23 HG3 GLU 23 1.274 20.335 15.062 723 H VAL 24 H VAL 24 4.632 19.813 12.962 724 HA VAL 24 HA VAL 24 5.387 19.279 15.813 725 HB VAL 24 HB VAL 24 7.251 19.009 13.419 726 HG11 VAL 24 HG11 VAL 24 8.872 18.108 15.067 727 HG12 VAL 24 HG12 VAL 24 8.475 19.798 15.393 728 HG13 VAL 24 HG13 VAL 24 7.749 18.509 16.384 729 HG21 VAL 24 HG21 VAL 24 6.097 16.872 15.246 730 HG22 VAL 24 HG22 VAL 24 5.792 17.060 13.499 731 HG23 VAL 24 HG23 VAL 24 7.400 16.609 14.068 732 H ARG 25 H ARG 25 6.536 20.911 16.816 733 HA ARG 25 HA ARG 25 6.878 23.498 15.328 734 HB2 ARG 25 HB2 ARG 25 5.618 23.350 18.074 735 HB3 ARG 25 HB3 ARG 25 5.651 24.706 16.958 736 HG2 ARG 25 HG2 ARG 25 4.073 23.441 15.442 737 HG3 ARG 25 HG3 ARG 25 4.053 22.132 16.639 738 HD2 ARG 25 HD2 ARG 25 3.312 23.943 18.346 739 HD3 ARG 25 HD3 ARG 25 2.966 24.942 16.937 740 HE ARG 25 HE ARG 25 1.177 23.531 16.342 741 HH11 ARG 25 HH11 ARG 25 2.834 22.025 19.070 742 HH12 ARG 25 HH12 ARG 25 1.535 20.858 19.269 743 HH21 ARG 25 HH21 ARG 25 -0.270 21.937 16.618 744 HH22 ARG 25 HH22 ARG 25 -0.086 20.781 17.942 745 H ALA 26 H ALA 26 8.709 24.586 15.814 746 HA ALA 26 HA ALA 26 10.334 23.793 18.193 747 HB1 ALA 26 HB1 ALA 26 12.121 25.040 17.122 748 HB2 ALA 26 HB2 ALA 26 11.458 23.841 15.990 749 HB3 ALA 26 HB3 ALA 26 11.036 25.556 15.821 750 H GLU 27 H GLU 27 10.290 25.018 19.953 751 HA GLU 27 HA GLU 27 9.179 27.811 19.897 752 HB2 GLU 27 HB2 GLU 27 9.381 25.929 22.268 753 HB3 GLU 27 HB3 GLU 27 8.509 27.452 22.199 754 HG2 GLU 27 HG2 GLU 27 7.726 24.938 20.681 755 HG3 GLU 27 HG3 GLU 27 7.072 25.449 22.220 756 H GLY 28 H GLY 28 10.106 28.912 22.113 757 HA2 GLY 28 HA2 GLY 28 12.912 29.439 21.687 758 HA3 GLY 28 HA3 GLY 28 11.913 30.015 23.023 759 H GLY 29 H GLY 29 13.755 27.230 21.841 760 HA2 GLY 29 HA2 GLY 29 15.383 26.008 23.017 761 HA3 GLY 29 HA3 GLY 29 14.806 26.642 24.553 762 H ALA 30 H ALA 30 12.527 25.202 22.263 763 HA ALA 30 HA ALA 30 12.572 22.554 23.510 764 HB1 ALA 30 HB1 ALA 30 11.290 23.925 25.163 765 HB2 ALA 30 HB2 ALA 30 10.160 24.398 23.889 766 HB3 ALA 30 HB3 ALA 30 10.267 22.700 24.386 767 H VAL 31 H VAL 31 10.941 21.095 22.558 768 HA VAL 31 HA VAL 31 9.737 22.002 19.969 769 HB VAL 31 HB VAL 31 11.078 19.342 20.525 770 HG11 VAL 31 HG11 VAL 31 10.369 18.687 18.217 771 HG12 VAL 31 HG12 VAL 31 9.031 18.752 19.348 772 HG13 VAL 31 HG13 VAL 31 9.272 20.076 18.172 773 HG21 VAL 31 HG21 VAL 31 12.356 19.919 18.526 774 HG22 VAL 31 HG22 VAL 31 11.418 21.416 18.310 775 HG23 VAL 31 HG23 VAL 31 12.479 21.229 19.718 776 H ARG 32 H ARG 32 7.701 21.368 19.508 777 HA ARG 32 HA ARG 32 6.208 19.623 21.444 778 HB2 ARG 32 HB2 ARG 32 5.219 22.051 19.923 779 HB3 ARG 32 HB3 ARG 32 4.157 20.904 20.750 780 HG2 ARG 32 HG2 ARG 32 4.929 21.537 22.909 781 HG3 ARG 32 HG3 ARG 32 6.358 22.362 22.255 782 HD2 ARG 32 HD2 ARG 32 4.708 24.011 22.942 783 HD3 ARG 32 HD3 ARG 32 4.981 24.053 21.199 784 HE ARG 32 HE ARG 32 2.698 22.379 21.970 785 HH11 ARG 32 HH11 ARG 32 3.586 25.713 21.133 786 HH12 ARG 32 HH12 ARG 32 1.915 26.096 20.798 787 HH21 ARG 32 HH21 ARG 32 0.764 22.897 21.444 788 HH22 ARG 32 HH22 ARG 32 0.322 24.531 20.945 789 H VAL 33 H VAL 33 4.822 18.161 20.582 790 HA VAL 33 HA VAL 33 4.762 17.720 17.617 791 HB VAL 33 HB VAL 33 5.243 15.607 19.759 792 HG11 VAL 33 HG11 VAL 33 5.082 15.359 16.727 793 HG12 VAL 33 HG12 VAL 33 5.617 14.084 17.821 794 HG13 VAL 33 HG13 VAL 33 3.952 14.652 17.912 795 HG21 VAL 33 HG21 VAL 33 7.450 15.282 18.737 796 HG22 VAL 33 HG22 VAL 33 7.160 16.654 17.645 797 HG23 VAL 33 HG23 VAL 33 7.295 16.900 19.397 798 H THR 34 H THR 34 2.703 17.394 16.875 799 HA THR 34 HA THR 34 0.605 16.484 18.828 800 HB THR 34 HB THR 34 0.336 18.629 16.721 801 HG1 THR 34 HG1 THR 34 0.032 18.636 19.538 802 HG21 THR 34 HG21 THR 34 -1.770 17.381 16.778 803 HG22 THR 34 HG22 THR 34 -1.771 17.400 18.552 804 HG23 THR 34 HG23 THR 34 -1.980 18.913 17.634 805 H THR 35 H THR 35 -0.646 14.883 18.278 806 HA THR 35 HA THR 35 -0.072 13.443 15.753 807 HB THR 35 HB THR 35 -1.140 11.551 16.756 808 HG1 THR 35 HG1 THR 35 -1.686 13.175 18.982 809 HG21 THR 35 HG21 THR 35 0.265 11.121 18.684 810 HG22 THR 35 HG22 THR 35 1.212 12.012 17.475 811 HG23 THR 35 HG23 THR 35 0.590 12.862 18.904 812 H LEU 36 H LEU 36 -1.733 12.360 14.597 813 HA LEU 36 HA LEU 36 -3.940 13.886 13.654 814 HB2 LEU 36 HB2 LEU 36 -2.708 12.216 12.387 815 HB3 LEU 36 HB3 LEU 36 -3.086 10.968 13.561 816 HG LEU 36 HG LEU 36 -5.414 10.874 12.851 817 HD11 LEU 36 HD11 LEU 36 -6.272 12.118 10.968 818 HD12 LEU 36 HD12 LEU 36 -5.700 13.299 12.154 819 HD13 LEU 36 HD13 LEU 36 -4.714 12.933 10.714 820 HD21 LEU 36 HD21 LEU 36 -3.435 10.906 10.527 821 HD22 LEU 36 HD22 LEU 36 -3.709 9.555 11.649 822 HD23 LEU 36 HD23 LEU 36 -4.998 10.061 10.541 823 H PHE 37 H PHE 37 -3.698 11.945 16.505 824 HA PHE 37 HA PHE 37 -6.657 11.810 16.814 825 HB2 PHE 37 HB2 PHE 37 -4.522 10.118 18.132 826 HB3 PHE 37 HB3 PHE 37 -6.258 9.941 18.323 827 HD1 PHE 37 HD1 PHE 37 -7.706 9.406 16.297 828 HD2 PHE 37 HD2 PHE 37 -3.405 9.139 16.209 829 HE1 PHE 37 HE1 PHE 37 -7.832 8.126 14.162 830 HE2 PHE 37 HE2 PHE 37 -3.536 7.848 14.076 831 HZ PHE 37 HZ PHE 37 -5.741 7.352 13.058 832 H ASP 38 H ASP 38 -4.828 14.115 17.353 833 HA ASP 38 HA ASP 38 -4.743 15.889 18.675 834 HB2 ASP 38 HB2 ASP 38 -7.241 14.859 20.030 835 HB3 ASP 38 HB3 ASP 38 -6.661 16.517 19.994 836 H GLU 39 H GLU 39 -3.541 13.259 19.829 837 HA GLU 39 HA GLU 39 -3.006 14.123 22.607 838 HB2 GLU 39 HB2 GLU 39 -1.531 12.066 20.916 839 HB3 GLU 39 HB3 GLU 39 -1.306 12.366 22.632 840 HG2 GLU 39 HG2 GLU 39 -3.801 11.229 21.302 841 HG3 GLU 39 HG3 GLU 39 -2.626 10.356 22.273 842 H GLU 40 H GLU 40 -1.143 15.162 23.307 843 HA GLU 40 HA GLU 40 0.729 16.256 21.261 844 HB2 GLU 40 HB2 GLU 40 -0.950 17.966 21.787 845 HB3 GLU 40 HB3 GLU 40 -0.567 17.810 23.519 846 HG2 GLU 40 HG2 GLU 40 1.676 18.669 23.170 847 HG3 GLU 40 HG3 GLU 40 1.468 18.626 21.421 848 H HIS 41 H HIS 41 2.781 16.508 21.839 849 HA HIS 41 HA HIS 41 3.732 15.666 24.549 850 HB2 HIS 41 HB2 HIS 41 5.052 14.911 21.928 851 HB3 HIS 41 HB3 HIS 41 5.501 14.387 23.548 852 HD2 HIS 41 HD2 HIS 41 2.999 13.703 20.714 853 HE1 HIS 41 HE1 HIS 41 2.255 10.728 23.680 854 HE2 HIS 41 HE2 HIS 41 1.720 11.467 21.308 855 H ALA 42 H ALA 42 5.633 16.685 25.259 856 HA ALA 42 HA ALA 42 6.781 18.836 23.573 857 HB1 ALA 42 HB1 ALA 42 6.544 20.482 25.376 858 HB2 ALA 42 HB2 ALA 42 4.964 19.892 24.826 859 HB3 ALA 42 HB3 ALA 42 5.650 19.301 26.354 860 H PHE 43 H PHE 43 8.850 19.361 23.919 861 HA PHE 43 HA PHE 43 10.466 17.771 25.869 862 HB2 PHE 43 HB2 PHE 43 10.912 18.016 22.888 863 HB3 PHE 43 HB3 PHE 43 11.957 17.207 24.053 864 HD1 PHE 43 HD1 PHE 43 8.932 16.929 22.006 865 HD2 PHE 43 HD2 PHE 43 11.199 15.129 25.205 866 HE1 PHE 43 HE1 PHE 43 7.655 14.828 21.722 867 HE2 PHE 43 HE2 PHE 43 9.910 13.018 24.925 868 HZ PHE 43 HZ PHE 43 8.132 12.865 23.194 869 HA PRO 44 HA PRO 44 12.283 22.017 25.952 870 HB2 PRO 44 HB2 PRO 44 13.222 21.919 28.516 871 HB3 PRO 44 HB3 PRO 44 11.533 22.364 28.094 872 HG2 PRO 44 HG2 PRO 44 12.602 19.666 28.982 873 HG3 PRO 44 HG3 PRO 44 11.154 20.540 29.583 874 HD2 PRO 44 HD2 PRO 44 11.003 18.568 27.710 875 HD3 PRO 44 HD3 PRO 44 9.906 19.991 27.655 876 H GLY 45 H GLY 45 14.338 22.470 25.412 877 HA2 GLY 45 HA2 GLY 45 16.650 22.257 25.234 878 HA3 GLY 45 HA3 GLY 45 16.603 20.710 26.096 879 H LEU 46 H LEU 46 14.345 20.496 23.605 880 HA LEU 46 HA LEU 46 16.327 19.434 21.638 881 HB2 LEU 46 HB2 LEU 46 13.338 18.954 21.813 882 HB3 LEU 46 HB3 LEU 46 14.398 18.346 20.549 883 HG LEU 46 HG LEU 46 14.373 17.534 23.481 884 HD11 LEU 46 HD11 LEU 46 12.711 16.521 21.854 885 HD12 LEU 46 HD12 LEU 46 14.088 15.902 20.930 886 HD13 LEU 46 HD13 LEU 46 13.817 15.351 22.599 887 HD21 LEU 46 HD21 LEU 46 16.387 16.741 21.330 888 HD22 LEU 46 HD22 LEU 46 16.738 17.587 22.850 889 HD23 LEU 46 HD23 LEU 46 16.181 15.917 22.898 890 H ALA 47 H ALA 47 15.985 19.829 19.443 891 HA ALA 47 HA ALA 47 14.311 22.109 18.569 892 HB1 ALA 47 HB1 ALA 47 16.576 23.010 18.973 893 HB2 ALA 47 HB2 ALA 47 17.267 21.751 17.937 894 HB3 ALA 47 HB3 ALA 47 16.198 22.992 17.238 895 H ILE 48 H ILE 48 13.827 21.951 16.223 896 HA ILE 48 HA ILE 48 13.634 19.191 15.240 897 HB ILE 48 HB ILE 48 13.015 21.773 13.786 898 HG12 ILE 48 HG12 ILE 48 11.049 19.864 15.133 899 HG13 ILE 48 HG13 ILE 48 11.609 21.366 15.862 900 HG21 ILE 48 HG21 ILE 48 13.426 19.848 12.254 901 HG22 ILE 48 HG22 ILE 48 12.258 18.870 13.166 902 HG23 ILE 48 HG23 ILE 48 11.728 20.284 12.246 903 HD11 ILE 48 HD11 ILE 48 9.490 21.830 14.878 904 HD12 ILE 48 HD12 ILE 48 10.707 22.640 13.890 905 HD13 ILE 48 HD13 ILE 48 9.962 21.138 13.321 906 H GLY 49 H GLY 49 15.202 18.122 14.204 907 HA2 GLY 49 HA2 GLY 49 17.655 19.526 13.320 908 HA3 GLY 49 HA3 GLY 49 17.428 17.796 13.537 909 H ARG 50 H ARG 50 15.537 16.940 11.993 910 HA ARG 50 HA ARG 50 15.804 18.031 9.243 911 HB2 ARG 50 HB2 ARG 50 16.762 15.244 10.032 912 HB3 ARG 50 HB3 ARG 50 16.476 15.792 8.375 913 HG2 ARG 50 HG2 ARG 50 18.166 17.631 8.755 914 HG3 ARG 50 HG3 ARG 50 18.570 16.870 10.302 915 HD2 ARG 50 HD2 ARG 50 19.259 14.834 9.172 916 HD3 ARG 50 HD3 ARG 50 18.748 15.484 7.602 917 HE ARG 50 HE ARG 50 20.568 17.370 8.546 918 HH11 ARG 50 HH11 ARG 50 20.836 13.921 7.885 919 HH12 ARG 50 HH12 ARG 50 22.534 14.052 7.515 920 HH21 ARG 50 HH21 ARG 50 22.618 17.474 8.049 921 HH22 ARG 50 HH22 ARG 50 23.548 16.048 7.608 922 H VAL 51 H VAL 51 14.449 17.226 7.728 923 HA VAL 51 HA VAL 51 12.051 15.640 8.552 924 HB VAL 51 HB VAL 51 12.061 18.154 6.839 925 HG11 VAL 51 HG11 VAL 51 9.566 17.991 7.048 926 HG12 VAL 51 HG12 VAL 51 10.276 16.661 6.141 927 HG13 VAL 51 HG13 VAL 51 9.769 16.407 7.820 928 HG21 VAL 51 HG21 VAL 51 12.403 18.822 9.159 929 HG22 VAL 51 HG22 VAL 51 10.778 19.233 8.633 930 HG23 VAL 51 HG23 VAL 51 11.041 17.817 9.690 931 H ASP 52 H ASP 52 11.570 14.065 7.123 932 HA ASP 52 HA ASP 52 12.409 14.269 4.266 933 HB2 ASP 52 HB2 ASP 52 14.129 12.977 5.537 934 HB3 ASP 52 HB3 ASP 52 12.870 11.851 6.046 935 H LEU 53 H LEU 53 10.421 14.513 3.432 936 HA LEU 53 HA LEU 53 8.072 13.116 4.484 937 HB2 LEU 53 HB2 LEU 53 8.391 14.907 2.040 938 HB3 LEU 53 HB3 LEU 53 6.875 14.414 2.793 939 HG LEU 53 HG LEU 53 8.995 16.226 4.018 940 HD11 LEU 53 HD11 LEU 53 6.154 16.750 3.101 941 HD12 LEU 53 HD12 LEU 53 7.239 17.913 3.890 942 HD13 LEU 53 HD13 LEU 53 7.651 17.274 2.287 943 HD21 LEU 53 HD21 LEU 53 7.957 14.950 5.850 944 HD22 LEU 53 HD22 LEU 53 7.312 16.589 5.843 945 HD23 LEU 53 HD23 LEU 53 6.338 15.259 5.175 946 H ARG 54 H ARG 54 10.413 12.386 2.119 947 HA ARG 54 HA ARG 54 8.847 10.465 0.502 948 HB2 ARG 54 HB2 ARG 54 10.698 11.385 -0.618 949 HB3 ARG 54 HB3 ARG 54 11.716 11.340 0.792 950 HG2 ARG 54 HG2 ARG 54 11.638 8.712 0.514 951 HG3 ARG 54 HG3 ARG 54 11.046 9.096 -1.106 952 HD2 ARG 54 HD2 ARG 54 13.446 8.803 -1.164 953 HD3 ARG 54 HD3 ARG 54 13.108 10.522 -1.427 954 HE ARG 54 HE ARG 54 13.487 10.381 1.308 955 HH11 ARG 54 HH11 ARG 54 15.517 9.500 -1.400 956 HH12 ARG 54 HH12 ARG 54 16.987 9.673 -0.464 957 HH21 ARG 54 HH21 ARG 54 15.353 10.559 2.437 958 HH22 ARG 54 HH22 ARG 54 16.889 10.252 1.659 959 H SER 55 H SER 55 11.118 10.349 3.228 960 HA SER 55 HA SER 55 10.686 7.520 3.787 961 HB2 SER 55 HB2 SER 55 12.770 8.758 4.309 962 HB3 SER 55 HB3 SER 55 11.893 9.683 5.540 963 HG SER 55 HG SER 55 13.069 7.797 6.317 964 H GLY 56 H GLY 56 9.270 10.535 4.998 965 HA2 GLY 56 HA2 GLY 56 7.214 10.857 6.082 966 HA3 GLY 56 HA3 GLY 56 7.056 9.125 6.372 967 H VAL 57 H VAL 57 9.887 11.184 7.173 968 HA VAL 57 HA VAL 57 9.476 10.585 10.077 969 HB VAL 57 HB VAL 57 12.051 10.140 8.530 970 HG11 VAL 57 HG11 VAL 57 12.603 10.897 10.785 971 HG12 VAL 57 HG12 VAL 57 11.420 9.773 11.491 972 HG13 VAL 57 HG13 VAL 57 12.878 9.162 10.681 973 HG21 VAL 57 HG21 VAL 57 11.724 7.752 9.181 974 HG22 VAL 57 HG22 VAL 57 10.131 8.163 9.848 975 HG23 VAL 57 HG23 VAL 57 10.454 8.323 8.114 976 H ILE 58 H ILE 58 10.086 12.058 11.521 977 HA ILE 58 HA ILE 58 11.636 14.476 10.670 978 HB ILE 58 HB ILE 58 9.294 14.325 12.603 979 HG12 ILE 58 HG12 ILE 58 9.589 16.018 10.092 980 HG13 ILE 58 HG13 ILE 58 8.796 14.447 10.084 981 HG21 ILE 58 HG21 ILE 58 11.130 16.679 11.960 982 HG22 ILE 58 HG22 ILE 58 9.664 16.765 12.953 983 HG23 ILE 58 HG23 ILE 58 11.034 15.829 13.520 984 HD11 ILE 58 HD11 ILE 58 7.145 15.251 11.747 985 HD12 ILE 58 HD12 ILE 58 7.861 16.883 11.617 986 HD13 ILE 58 HD13 ILE 58 7.124 16.123 10.195 987 H SER 59 H SER 59 13.476 14.745 11.764 988 HA SER 59 HA SER 59 14.005 13.021 14.167 989 HB2 SER 59 HB2 SER 59 15.312 12.423 12.196 990 HB3 SER 59 HB3 SER 59 15.916 14.091 12.066 991 HG SER 59 HG SER 59 17.376 12.687 13.184 992 H LEU 60 H LEU 60 14.355 13.984 16.045 993 HA LEU 60 HA LEU 60 14.832 16.919 16.141 994 HB2 LEU 60 HB2 LEU 60 14.107 15.071 18.415 995 HB3 LEU 60 HB3 LEU 60 14.144 16.829 18.438 996 HG LEU 60 HG LEU 60 12.171 15.062 16.924 997 HD11 LEU 60 HD11 LEU 60 10.542 16.101 18.462 998 HD12 LEU 60 HD12 LEU 60 11.810 15.246 19.353 999 HD13 LEU 60 HD13 LEU 60 11.853 17.019 19.243 1000 HD21 LEU 60 HD21 LEU 60 12.560 17.048 15.554 1001 HD22 LEU 60 HD22 LEU 60 10.994 17.173 16.354 1002 HD23 LEU 60 HD23 LEU 60 12.383 18.099 16.974 1003 H ILE 61 H ILE 61 16.420 17.823 17.465 1004 HA ILE 61 HA ILE 61 18.723 16.111 18.273 1005 HB ILE 61 HB ILE 61 20.293 17.703 17.283 1006 HG12 ILE 61 HG12 ILE 61 18.969 19.150 15.323 1007 HG13 ILE 61 HG13 ILE 61 17.860 19.299 16.690 1008 HG21 ILE 61 HG21 ILE 61 20.078 17.032 14.973 1009 HG22 ILE 61 HG22 ILE 61 19.624 15.698 16.053 1010 HG23 ILE 61 HG23 ILE 61 18.370 16.617 15.202 1011 HD11 ILE 61 HD11 ILE 61 19.620 20.221 18.081 1012 HD12 ILE 61 HD12 ILE 61 20.814 19.985 16.777 1013 HD13 ILE 61 HD13 ILE 61 19.479 21.143 16.579 1014 H GLU 62 H GLU 62 20.281 17.271 19.677 1015 HA GLU 62 HA GLU 62 18.889 18.603 21.867 1016 HB2 GLU 62 HB2 GLU 62 21.823 18.003 21.365 1017 HB3 GLU 62 HB3 GLU 62 21.190 18.747 22.844 1018 HG2 GLU 62 HG2 GLU 62 19.711 16.761 23.185 1019 HG3 GLU 62 HG3 GLU 62 20.480 15.970 21.798 1020 H GLU 63 H GLU 63 18.488 20.703 22.061 1021 HA GLU 63 HA GLU 63 19.284 22.713 20.222 1022 HB2 GLU 63 HB2 GLU 63 17.270 22.770 21.619 1023 HB3 GLU 63 HB3 GLU 63 18.233 22.970 23.080 1024 HG2 GLU 63 HG2 GLU 63 18.387 24.917 20.743 1025 HG3 GLU 63 HG3 GLU 63 17.115 25.028 21.954 1026 H GLN 64 H GLN 64 20.932 24.110 20.114 1027 HA GLN 64 HA GLN 64 22.954 24.364 22.249 1028 HB2 GLN 64 HB2 GLN 64 24.750 23.476 20.835 1029 HB3 GLN 64 HB3 GLN 64 23.511 22.279 21.149 1030 HG2 GLN 64 HG2 GLN 64 22.533 22.897 18.819 1031 HG3 GLN 64 HG3 GLN 64 24.056 23.761 18.547 1032 HE21 GLN 64 HE21 GLN 64 22.665 20.531 19.389 1033 HE22 GLN 64 HE22 GLN 64 24.007 19.620 18.682 1034 H ASN 65 H ASN 65 21.100 26.198 20.767 1035 HA ASN 65 HA ASN 65 22.944 27.992 19.282 1036 HB2 ASN 65 HB2 ASN 65 20.650 27.469 18.396 1037 HB3 ASN 65 HB3 ASN 65 19.947 28.224 19.824 1038 HD21 ASN 65 HD21 ASN 65 19.339 30.360 19.466 1039 HD22 ASN 65 HD22 ASN 65 20.111 31.394 18.272 1040 H ARG 66 H ARG 66 21.420 27.585 22.423 1041 HA ARG 66 HA ARG 66 21.452 30.216 23.402 1042 HB2 ARG 66 HB2 ARG 66 21.327 29.307 25.615 1043 HB3 ARG 66 HB3 ARG 66 20.270 28.441 24.506 1044 HG2 ARG 66 HG2 ARG 66 21.953 26.588 24.384 1045 HG3 ARG 66 HG3 ARG 66 22.970 27.462 25.539 1046 HD2 ARG 66 HD2 ARG 66 21.139 27.394 27.213 1047 HD3 ARG 66 HD3 ARG 66 20.129 26.490 26.079 1048 HE ARG 66 HE ARG 66 22.376 25.500 27.676 1049 HH11 ARG 66 HH11 ARG 66 20.334 24.732 24.908 1050 HH12 ARG 66 HH12 ARG 66 21.112 23.201 24.668 1051 HH21 ARG 66 HH21 ARG 66 23.108 23.401 27.461 1052 HH22 ARG 66 HH22 ARG 66 22.452 22.382 26.213 Start of MODEL 17 1 H1 GLY -3 H1 GLY -3 13.255 4.346 -3.713 2 H2 GLY -3 H2 GLY -3 14.070 2.948 -3.993 3 H3 GLY -3 H3 GLY -3 12.663 2.935 -3.148 4 HA2 GLY -3 HA2 GLY -3 12.952 3.618 -6.005 5 HA3 GLY -3 HA3 GLY -3 12.270 2.112 -5.353 6 HA PRO -2 HA PRO -2 8.737 4.983 -6.232 7 HB2 PRO -2 HB2 PRO -2 7.446 2.282 -6.620 8 HB3 PRO -2 HB3 PRO -2 7.235 3.786 -7.564 9 HG2 PRO -2 HG2 PRO -2 8.797 1.806 -8.529 10 HG3 PRO -2 HG3 PRO -2 9.368 3.505 -8.623 11 HD2 PRO -2 HD2 PRO -2 10.106 1.403 -6.563 12 HD3 PRO -2 HD3 PRO -2 11.174 2.519 -7.477 13 H GLY -1 H GLY -1 6.801 5.440 -5.101 14 HA2 GLY -1 HA2 GLY -1 5.489 3.907 -3.132 15 HA3 GLY -1 HA3 GLY -1 6.756 4.813 -2.298 16 H SER 0 H SER 0 4.643 5.581 -1.263 17 HA SER 0 HA SER 0 3.018 7.568 -2.597 18 HB2 SER 0 HB2 SER 0 2.322 6.304 -0.551 19 HB3 SER 0 HB3 SER 0 3.550 7.191 0.372 20 HG SER 0 HG SER 0 1.187 8.147 -0.868 21 H MET 1 H MET 1 3.111 9.801 -2.511 22 HA MET 1 HA MET 1 5.697 11.054 -1.674 23 HB2 MET 1 HB2 MET 1 4.104 11.598 -4.204 24 HB3 MET 1 HB3 MET 1 5.514 12.512 -3.668 25 HG2 MET 1 HG2 MET 1 5.461 9.559 -4.409 26 HG3 MET 1 HG3 MET 1 6.055 10.862 -5.421 27 HE1 MET 1 HE1 MET 1 8.234 12.189 -5.076 28 HE2 MET 1 HE2 MET 1 7.800 12.717 -3.428 29 HE3 MET 1 HE3 MET 1 9.377 11.956 -3.729 30 H CYS 2 H CYS 2 5.603 12.906 -0.582 31 HA CYS 2 HA CYS 2 2.997 14.306 -0.202 32 HB2 CYS 2 HB2 CYS 2 4.789 13.335 2.044 33 HB3 CYS 2 HB3 CYS 2 3.304 14.261 2.175 34 H MET 3 H MET 3 5.215 15.225 -1.723 35 HA MET 3 HA MET 3 7.031 16.822 -0.274 36 HB2 MET 3 HB2 MET 3 7.793 17.679 -2.310 37 HB3 MET 3 HB3 MET 3 7.291 16.042 -2.664 38 HG2 MET 3 HG2 MET 3 5.700 18.569 -3.264 39 HG3 MET 3 HG3 MET 3 6.750 17.735 -4.399 40 HE1 MET 3 HE1 MET 3 3.829 18.667 -4.926 41 HE2 MET 3 HE2 MET 3 4.817 17.848 -6.150 42 HE3 MET 3 HE3 MET 3 3.157 17.288 -5.828 43 H ALA 4 H ALA 4 7.110 18.855 0.427 44 HA ALA 4 HA ALA 4 4.500 20.241 0.840 45 HB1 ALA 4 HB1 ALA 4 5.694 21.210 2.818 46 HB2 ALA 4 HB2 ALA 4 5.718 19.451 2.833 47 HB3 ALA 4 HB3 ALA 4 7.166 20.359 2.335 48 H LYS 5 H LYS 5 5.010 22.677 1.436 49 HA LYS 5 HA LYS 5 7.057 23.843 -0.374 50 HB2 LYS 5 HB2 LYS 5 5.801 25.821 -0.783 51 HB3 LYS 5 HB3 LYS 5 4.867 24.420 -1.300 52 HG2 LYS 5 HG2 LYS 5 3.513 24.586 0.812 53 HG3 LYS 5 HG3 LYS 5 4.448 26.031 1.264 54 HD2 LYS 5 HD2 LYS 5 3.708 27.120 -0.890 55 HD3 LYS 5 HD3 LYS 5 2.703 25.709 -1.226 56 HE2 LYS 5 HE2 LYS 5 1.257 27.347 -0.330 57 HE3 LYS 5 HE3 LYS 5 1.460 26.131 0.934 58 HZ1 LYS 5 HZ1 LYS 5 3.046 27.611 2.020 59 HZ2 LYS 5 HZ2 LYS 5 2.953 28.708 0.802 60 HZ3 LYS 5 HZ3 LYS 5 1.656 28.441 1.764 61 H VAL 6 H VAL 6 8.397 25.299 0.454 62 HA VAL 6 HA VAL 6 8.410 25.683 3.419 63 HB VAL 6 HB VAL 6 10.526 25.811 1.278 64 HG11 VAL 6 HG11 VAL 6 10.967 27.869 2.534 65 HG12 VAL 6 HG12 VAL 6 10.798 26.995 4.075 66 HG13 VAL 6 HG13 VAL 6 12.155 26.639 2.973 67 HG21 VAL 6 HG21 VAL 6 10.458 24.502 4.030 68 HG22 VAL 6 HG22 VAL 6 10.018 23.681 2.521 69 HG23 VAL 6 HG23 VAL 6 11.678 24.258 2.770 70 H VAL 7 H VAL 7 8.327 27.687 4.361 71 HA VAL 7 HA VAL 7 8.212 30.102 2.619 72 HB VAL 7 HB VAL 7 5.935 29.557 3.155 73 HG11 VAL 7 HG11 VAL 7 5.018 29.654 5.425 74 HG12 VAL 7 HG12 VAL 7 6.155 28.309 5.254 75 HG13 VAL 7 HG13 VAL 7 6.648 29.795 6.096 76 HG21 VAL 7 HG21 VAL 7 5.228 31.690 4.044 77 HG22 VAL 7 HG22 VAL 7 6.798 31.960 4.823 78 HG23 VAL 7 HG23 VAL 7 6.662 31.956 3.045 79 H LEU 8 H LEU 8 9.286 31.824 3.251 80 HA LEU 8 HA LEU 8 10.348 32.183 5.957 81 HB2 LEU 8 HB2 LEU 8 12.663 32.137 5.353 82 HB3 LEU 8 HB3 LEU 8 11.930 30.629 4.861 83 HG LEU 8 HG LEU 8 11.706 31.976 2.502 84 HD11 LEU 8 HD11 LEU 8 13.863 33.142 2.076 85 HD12 LEU 8 HD12 LEU 8 12.903 34.004 3.276 86 HD13 LEU 8 HD13 LEU 8 14.281 33.005 3.796 87 HD21 LEU 8 HD21 LEU 8 12.711 29.766 2.796 88 HD22 LEU 8 HD22 LEU 8 13.732 30.786 1.769 89 HD23 LEU 8 HD23 LEU 8 14.187 30.506 3.468 90 H THR 9 H THR 9 11.640 34.274 6.090 91 HA THR 9 HA THR 9 10.822 36.268 4.033 92 HB THR 9 HB THR 9 10.735 36.878 7.008 93 HG1 THR 9 HG1 THR 9 9.109 35.471 6.564 94 HG21 THR 9 HG21 THR 9 9.632 38.331 4.556 95 HG22 THR 9 HG22 THR 9 9.426 38.822 6.252 96 HG23 THR 9 HG23 THR 9 11.036 38.845 5.533 97 H LYS 10 H LYS 10 12.390 37.517 3.343 98 HA LYS 10 HA LYS 10 15.151 37.137 4.135 99 HB2 LYS 10 HB2 LYS 10 13.799 39.170 2.289 100 HB3 LYS 10 HB3 LYS 10 15.545 38.981 2.471 101 HG2 LYS 10 HG2 LYS 10 15.416 36.648 1.662 102 HG3 LYS 10 HG3 LYS 10 13.652 36.792 1.519 103 HD2 LYS 10 HD2 LYS 10 14.623 37.068 -0.679 104 HD3 LYS 10 HD3 LYS 10 13.921 38.608 -0.166 105 HE2 LYS 10 HE2 LYS 10 16.213 39.374 0.525 106 HE3 LYS 10 HE3 LYS 10 16.880 37.840 -0.069 107 HZ1 LYS 10 HZ1 LYS 10 16.080 38.445 -2.281 108 HZ2 LYS 10 HZ2 LYS 10 15.449 39.847 -1.730 109 HZ3 LYS 10 HZ3 LYS 10 17.065 39.617 -1.704 110 H ALA 11 H ALA 11 16.639 38.839 4.699 111 HA ALA 11 HA ALA 11 15.990 40.498 6.936 112 HB1 ALA 11 HB1 ALA 11 18.323 40.628 4.967 113 HB2 ALA 11 HB2 ALA 11 18.264 41.384 6.568 114 HB3 ALA 11 HB3 ALA 11 18.248 39.618 6.447 115 H ASP 12 H ASP 12 15.869 41.092 3.465 116 HA ASP 12 HA ASP 12 15.490 43.940 3.493 117 HB2 ASP 12 HB2 ASP 12 14.679 41.797 1.481 118 HB3 ASP 12 HB3 ASP 12 14.759 43.524 1.171 119 H GLY 13 H GLY 13 13.443 41.532 4.700 120 HA2 GLY 13 HA2 GLY 13 11.268 41.626 5.451 121 HA3 GLY 13 HA3 GLY 13 11.007 43.179 4.642 122 H GLY 14 H GLY 14 12.352 40.957 2.471 123 HA2 GLY 14 HA2 GLY 14 9.909 40.765 0.903 124 HA3 GLY 14 HA3 GLY 14 11.491 40.101 0.490 125 H ARG 15 H ARG 15 8.398 39.203 1.099 126 HA ARG 15 HA ARG 15 8.778 36.692 2.541 127 HB2 ARG 15 HB2 ARG 15 6.639 37.906 2.506 128 HB3 ARG 15 HB3 ARG 15 6.530 37.728 0.767 129 HG2 ARG 15 HG2 ARG 15 5.045 36.186 1.957 130 HG3 ARG 15 HG3 ARG 15 6.212 35.331 0.951 131 HD2 ARG 15 HD2 ARG 15 5.740 34.281 3.204 132 HD3 ARG 15 HD3 ARG 15 7.430 34.534 2.812 133 HE ARG 15 HE ARG 15 7.663 35.873 4.654 134 HH11 ARG 15 HH11 ARG 15 4.200 35.821 4.023 135 HH12 ARG 15 HH12 ARG 15 3.861 36.752 5.452 136 HH21 ARG 15 HH21 ARG 15 7.174 36.999 6.376 137 HH22 ARG 15 HH22 ARG 15 5.520 37.409 6.790 138 H VAL 16 H VAL 16 9.340 34.761 1.795 139 HA VAL 16 HA VAL 16 9.602 34.246 -1.144 140 HB VAL 16 HB VAL 16 11.633 33.793 1.058 141 HG11 VAL 16 HG11 VAL 16 11.668 31.758 -0.277 142 HG12 VAL 16 HG12 VAL 16 11.715 32.714 -1.780 143 HG13 VAL 16 HG13 VAL 16 13.087 32.730 -0.650 144 HG21 VAL 16 HG21 VAL 16 13.123 35.092 -0.416 145 HG22 VAL 16 HG22 VAL 16 11.812 35.291 -1.593 146 HG23 VAL 16 HG23 VAL 16 11.691 36.035 0.011 147 H GLU 17 H GLU 17 9.056 32.258 -1.829 148 HA GLU 17 HA GLU 17 8.512 30.102 0.120 149 HB2 GLU 17 HB2 GLU 17 6.546 30.973 -2.028 150 HB3 GLU 17 HB3 GLU 17 6.440 29.480 -1.073 151 HG2 GLU 17 HG2 GLU 17 6.340 30.846 1.013 152 HG3 GLU 17 HG3 GLU 17 6.290 32.312 0.031 153 H ILE 18 H ILE 18 8.780 28.025 -0.639 154 HA ILE 18 HA ILE 18 9.927 27.655 -3.390 155 HB ILE 18 HB ILE 18 10.969 26.407 -0.825 156 HG12 ILE 18 HG12 ILE 18 12.332 28.478 -2.610 157 HG13 ILE 18 HG13 ILE 18 11.589 28.844 -1.054 158 HG21 ILE 18 HG21 ILE 18 11.128 24.916 -2.838 159 HG22 ILE 18 HG22 ILE 18 12.042 26.190 -3.675 160 HG23 ILE 18 HG23 ILE 18 12.701 25.402 -2.232 161 HD11 ILE 18 HD11 ILE 18 14.016 27.080 -1.481 162 HD12 ILE 18 HD12 ILE 18 13.912 28.657 -0.675 163 HD13 ILE 18 HD13 ILE 18 13.147 27.239 0.068 164 H GLY 19 H GLY 19 8.680 26.277 -4.479 165 HA2 GLY 19 HA2 GLY 19 6.738 24.516 -3.121 166 HA3 GLY 19 HA3 GLY 19 6.858 24.846 -4.845 167 H ASP 20 H ASP 20 6.381 22.319 -3.959 168 HA ASP 20 HA ASP 20 6.992 20.168 -4.122 169 HB2 ASP 20 HB2 ASP 20 8.867 21.154 -6.276 170 HB3 ASP 20 HB3 ASP 20 8.189 19.531 -6.114 171 H VAL 21 H VAL 21 8.289 21.291 -1.963 172 HA VAL 21 HA VAL 21 11.115 20.483 -1.850 173 HB VAL 21 HB VAL 21 9.185 21.437 0.293 174 HG11 VAL 21 HG11 VAL 21 12.175 20.901 0.445 175 HG12 VAL 21 HG12 VAL 21 11.212 21.761 1.671 176 HG13 VAL 21 HG13 VAL 21 10.896 20.057 1.353 177 HG21 VAL 21 HG21 VAL 21 10.531 23.510 0.139 178 HG22 VAL 21 HG22 VAL 21 11.491 22.798 -1.169 179 HG23 VAL 21 HG23 VAL 21 9.772 23.141 -1.405 180 H LEU 22 H LEU 22 11.784 18.451 -1.548 181 HA LEU 22 HA LEU 22 9.870 16.355 -0.692 182 HB2 LEU 22 HB2 LEU 22 11.195 16.183 -2.763 183 HB3 LEU 22 HB3 LEU 22 12.696 16.192 -1.840 184 HG LEU 22 HG LEU 22 10.584 14.099 -1.249 185 HD11 LEU 22 HD11 LEU 22 10.776 14.054 -3.686 186 HD12 LEU 22 HD12 LEU 22 12.554 13.987 -3.568 187 HD13 LEU 22 HD13 LEU 22 11.563 12.636 -2.973 188 HD21 LEU 22 HD21 LEU 22 12.565 12.658 -0.836 189 HD22 LEU 22 HD22 LEU 22 13.640 13.985 -1.320 190 HD23 LEU 22 HD23 LEU 22 12.665 14.108 0.154 191 H GLU 23 H GLU 23 12.834 17.959 0.456 192 HA GLU 23 HA GLU 23 12.332 16.922 3.138 193 HB2 GLU 23 HB2 GLU 23 14.531 15.938 3.487 194 HB3 GLU 23 HB3 GLU 23 13.656 15.077 2.218 195 HG2 GLU 23 HG2 GLU 23 15.000 16.239 0.496 196 HG3 GLU 23 HG3 GLU 23 15.797 17.196 1.749 197 H VAL 24 H VAL 24 13.539 17.934 4.791 198 HA VAL 24 HA VAL 24 15.092 20.370 4.114 199 HB VAL 24 HB VAL 24 12.756 20.376 6.066 200 HG11 VAL 24 HG11 VAL 24 14.639 22.635 5.241 201 HG12 VAL 24 HG12 VAL 24 13.191 22.806 6.263 202 HG13 VAL 24 HG13 VAL 24 14.570 21.867 6.829 203 HG21 VAL 24 HG21 VAL 24 13.117 21.719 3.353 204 HG22 VAL 24 HG22 VAL 24 11.909 20.488 3.787 205 HG23 VAL 24 HG23 VAL 24 11.820 22.108 4.495 206 H ARG 25 H ARG 25 16.673 20.882 5.535 207 HA ARG 25 HA ARG 25 17.145 19.183 7.956 208 HB2 ARG 25 HB2 ARG 25 18.907 19.527 5.501 209 HB3 ARG 25 HB3 ARG 25 19.617 19.141 7.079 210 HG2 ARG 25 HG2 ARG 25 18.377 17.104 7.259 211 HG3 ARG 25 HG3 ARG 25 17.429 17.435 5.799 212 HD2 ARG 25 HD2 ARG 25 20.462 17.186 5.677 213 HD3 ARG 25 HD3 ARG 25 19.414 15.774 5.701 214 HE ARG 25 HE ARG 25 18.542 16.254 3.579 215 HH11 ARG 25 HH11 ARG 25 20.891 18.818 4.309 216 HH12 ARG 25 HH12 ARG 25 20.799 19.338 2.615 217 HH21 ARG 25 HH21 ARG 25 18.642 16.975 1.620 218 HH22 ARG 25 HH22 ARG 25 19.617 18.407 1.206 219 H ALA 26 H ALA 26 18.553 20.027 9.480 220 HA ALA 26 HA ALA 26 19.300 22.906 9.220 221 HB1 ALA 26 HB1 ALA 26 17.286 22.703 10.606 222 HB2 ALA 26 HB2 ALA 26 18.123 21.552 11.668 223 HB3 ALA 26 HB3 ALA 26 18.676 23.238 11.564 224 H GLU 27 H GLU 27 21.296 23.434 9.802 225 HA GLU 27 HA GLU 27 23.184 21.228 10.455 226 HB2 GLU 27 HB2 GLU 27 23.542 23.905 9.056 227 HB3 GLU 27 HB3 GLU 27 24.839 22.727 9.277 228 HG2 GLU 27 HG2 GLU 27 22.294 22.023 7.760 229 HG3 GLU 27 HG3 GLU 27 23.637 22.865 7.013 230 H GLY 28 H GLY 28 21.758 23.324 12.310 231 HA2 GLY 28 HA2 GLY 28 22.232 24.364 14.341 232 HA3 GLY 28 HA3 GLY 28 23.790 23.530 14.359 233 H GLY 29 H GLY 29 22.547 25.829 11.964 234 HA2 GLY 29 HA2 GLY 29 23.847 28.217 12.592 235 HA3 GLY 29 HA3 GLY 29 25.034 27.270 11.687 236 H ALA 30 H ALA 30 22.695 26.005 10.154 237 HA ALA 30 HA ALA 30 21.453 28.160 8.618 238 HB1 ALA 30 HB1 ALA 30 23.695 27.820 7.517 239 HB2 ALA 30 HB2 ALA 30 23.315 26.096 7.321 240 HB3 ALA 30 HB3 ALA 30 22.359 27.318 6.460 241 H VAL 31 H VAL 31 19.797 27.292 7.139 242 HA VAL 31 HA VAL 31 19.140 24.391 7.579 243 HB VAL 31 HB VAL 31 16.889 24.706 6.891 244 HG11 VAL 31 HG11 VAL 31 17.456 24.960 9.297 245 HG12 VAL 31 HG12 VAL 31 17.517 26.721 9.053 246 HG13 VAL 31 HG13 VAL 31 15.992 25.842 8.818 247 HG21 VAL 31 HG21 VAL 31 15.885 26.926 6.608 248 HG22 VAL 31 HG22 VAL 31 17.495 27.668 6.682 249 HG23 VAL 31 HG23 VAL 31 17.063 26.580 5.339 250 H ARG 32 H ARG 32 18.354 23.237 5.793 251 HA ARG 32 HA ARG 32 19.208 24.134 3.074 252 HB2 ARG 32 HB2 ARG 32 19.884 21.509 4.464 253 HB3 ARG 32 HB3 ARG 32 20.042 21.791 2.726 254 HG2 ARG 32 HG2 ARG 32 21.727 23.486 3.048 255 HG3 ARG 32 HG3 ARG 32 21.473 23.490 4.796 256 HD2 ARG 32 HD2 ARG 32 23.475 22.297 4.386 257 HD3 ARG 32 HD3 ARG 32 22.260 21.144 4.927 258 HE ARG 32 HE ARG 32 22.136 21.072 2.120 259 HH11 ARG 32 HH11 ARG 32 24.465 20.174 4.610 260 HH12 ARG 32 HH12 ARG 32 25.313 19.101 3.507 261 HH21 ARG 32 HH21 ARG 32 23.254 19.736 0.814 262 HH22 ARG 32 HH22 ARG 32 24.602 18.807 1.440 263 H VAL 33 H VAL 33 17.819 23.616 1.526 264 HA VAL 33 HA VAL 33 15.345 22.013 2.145 265 HB VAL 33 HB VAL 33 15.619 24.723 0.761 266 HG11 VAL 33 HG11 VAL 33 13.124 23.051 1.230 267 HG12 VAL 33 HG12 VAL 33 13.151 24.712 0.609 268 HG13 VAL 33 HG13 VAL 33 13.843 23.400 -0.351 269 HG21 VAL 33 HG21 VAL 33 14.180 23.984 3.336 270 HG22 VAL 33 HG22 VAL 33 15.697 24.913 3.215 271 HG23 VAL 33 HG23 VAL 33 14.205 25.580 2.561 272 H THR 34 H THR 34 15.119 20.350 0.728 273 HA THR 34 HA THR 34 16.421 20.587 -1.967 274 HB THR 34 HB THR 34 16.159 18.138 -0.228 275 HG1 THR 34 HG1 THR 34 17.760 19.655 0.361 276 HG21 THR 34 HG21 THR 34 17.646 17.071 -1.917 277 HG22 THR 34 HG22 THR 34 16.043 17.437 -2.570 278 HG23 THR 34 HG23 THR 34 17.428 18.476 -2.976 279 H THR 35 H THR 35 15.276 20.217 -3.743 280 HA THR 35 HA THR 35 12.390 19.876 -3.483 281 HB THR 35 HB THR 35 12.218 20.454 -5.769 282 HG1 THR 35 HG1 THR 35 14.065 20.792 -7.032 283 HG21 THR 35 HG21 THR 35 12.723 22.312 -4.182 284 HG22 THR 35 HG22 THR 35 14.447 22.188 -4.632 285 HG23 THR 35 HG23 THR 35 13.243 22.633 -5.854 286 H LEU 36 H LEU 36 11.155 18.560 -4.919 287 HA LEU 36 HA LEU 36 11.582 15.787 -5.124 288 HB2 LEU 36 HB2 LEU 36 9.449 16.968 -5.250 289 HB3 LEU 36 HB3 LEU 36 9.946 17.810 -6.708 290 HG LEU 36 HG LEU 36 9.845 15.741 -8.014 291 HD11 LEU 36 HD11 LEU 36 8.877 14.485 -5.411 292 HD12 LEU 36 HD12 LEU 36 8.817 13.714 -7.018 293 HD13 LEU 36 HD13 LEU 36 10.380 14.072 -6.272 294 HD21 LEU 36 HD21 LEU 36 7.402 15.466 -7.932 295 HD22 LEU 36 HD22 LEU 36 7.355 16.223 -6.327 296 HD23 LEU 36 HD23 LEU 36 7.845 17.168 -7.752 297 H PHE 37 H PHE 37 12.978 18.301 -7.057 298 HA PHE 37 HA PHE 37 13.846 16.408 -9.179 299 HB2 PHE 37 HB2 PHE 37 13.677 19.421 -9.329 300 HB3 PHE 37 HB3 PHE 37 14.028 18.307 -10.640 301 HD1 PHE 37 HD1 PHE 37 12.217 16.534 -11.245 302 HD2 PHE 37 HD2 PHE 37 11.411 19.987 -8.790 303 HE1 PHE 37 HE1 PHE 37 9.778 16.179 -11.555 304 HE2 PHE 37 HE2 PHE 37 8.963 19.633 -9.110 305 HZ PHE 37 HZ PHE 37 8.155 17.715 -10.470 306 H ASP 38 H ASP 38 15.047 17.002 -6.435 307 HA ASP 38 HA ASP 38 17.020 16.924 -5.449 308 HB2 ASP 38 HB2 ASP 38 18.225 16.144 -8.102 309 HB3 ASP 38 HB3 ASP 38 18.886 15.837 -6.504 310 H GLU 39 H GLU 39 16.305 19.558 -6.850 311 HA GLU 39 HA GLU 39 18.948 20.913 -6.844 312 HB2 GLU 39 HB2 GLU 39 16.124 22.036 -6.886 313 HB3 GLU 39 HB3 GLU 39 17.600 22.985 -6.987 314 HG2 GLU 39 HG2 GLU 39 16.578 20.958 -9.009 315 HG3 GLU 39 HG3 GLU 39 16.592 22.699 -9.201 316 H GLU 40 H GLU 40 19.744 22.115 -5.099 317 HA GLU 40 HA GLU 40 18.176 21.993 -2.556 318 HB2 GLU 40 HB2 GLU 40 19.925 20.286 -2.536 319 HB3 GLU 40 HB3 GLU 40 21.157 21.529 -2.816 320 HG2 GLU 40 HG2 GLU 40 20.641 22.588 -0.679 321 HG3 GLU 40 HG3 GLU 40 19.252 21.522 -0.425 322 H HIS 41 H HIS 41 17.880 23.763 -1.536 323 HA HIS 41 HA HIS 41 19.463 26.233 -2.115 324 HB2 HIS 41 HB2 HIS 41 16.765 26.018 -0.730 325 HB3 HIS 41 HB3 HIS 41 17.565 27.478 -1.289 326 HD2 HIS 41 HD2 HIS 41 15.348 24.613 -2.472 327 HE1 HIS 41 HE1 HIS 41 15.996 27.036 -5.923 328 HE2 HIS 41 HE2 HIS 41 14.672 25.085 -4.989 329 H ALA 42 H ALA 42 20.190 27.469 -0.269 330 HA ALA 42 HA ALA 42 19.947 26.221 2.407 331 HB1 ALA 42 HB1 ALA 42 22.356 26.408 2.807 332 HB2 ALA 42 HB2 ALA 42 22.042 25.337 1.428 333 HB3 ALA 42 HB3 ALA 42 22.615 26.999 1.153 334 H PHE 43 H PHE 43 20.018 27.595 4.122 335 HA PHE 43 HA PHE 43 20.189 30.538 3.624 336 HB2 PHE 43 HB2 PHE 43 17.858 29.150 4.960 337 HB3 PHE 43 HB3 PHE 43 18.087 30.882 4.800 338 HD1 PHE 43 HD1 PHE 43 16.900 27.845 3.151 339 HD2 PHE 43 HD2 PHE 43 18.094 31.948 2.499 340 HE1 PHE 43 HE1 PHE 43 15.795 27.822 0.934 341 HE2 PHE 43 HE2 PHE 43 16.998 31.904 0.268 342 HZ PHE 43 HZ PHE 43 15.866 29.845 -0.526 343 HA PRO 44 HA PRO 44 22.570 29.774 7.445 344 HB2 PRO 44 HB2 PRO 44 23.409 32.578 6.760 345 HB3 PRO 44 HB3 PRO 44 24.397 31.209 7.358 346 HG2 PRO 44 HG2 PRO 44 24.453 31.859 4.726 347 HG3 PRO 44 HG3 PRO 44 24.343 30.133 5.219 348 HD2 PRO 44 HD2 PRO 44 22.099 31.989 4.344 349 HD3 PRO 44 HD3 PRO 44 22.459 30.318 3.811 350 H GLY 45 H GLY 45 22.264 30.415 9.541 351 HA2 GLY 45 HA2 GLY 45 21.538 31.576 11.378 352 HA3 GLY 45 HA3 GLY 45 21.140 32.940 10.345 353 H LEU 46 H LEU 46 19.458 30.252 9.218 354 HA LEU 46 HA LEU 46 17.007 30.894 10.788 355 HB2 LEU 46 HB2 LEU 46 17.257 29.385 8.177 356 HB3 LEU 46 HB3 LEU 46 15.761 29.747 9.025 357 HG LEU 46 HG LEU 46 17.626 31.734 7.663 358 HD11 LEU 46 HD11 LEU 46 15.721 32.094 6.170 359 HD12 LEU 46 HD12 LEU 46 16.103 30.361 6.225 360 HD13 LEU 46 HD13 LEU 46 14.717 30.990 7.139 361 HD21 LEU 46 HD21 LEU 46 15.881 33.444 8.202 362 HD22 LEU 46 HD22 LEU 46 15.081 32.264 9.266 363 HD23 LEU 46 HD23 LEU 46 16.719 32.865 9.637 364 H ALA 47 H ALA 47 15.600 29.118 11.263 365 HA ALA 47 HA ALA 47 16.712 26.400 11.575 366 HB1 ALA 47 HB1 ALA 47 17.092 27.515 13.745 367 HB2 ALA 47 HB2 ALA 47 15.380 27.998 13.810 368 HB3 ALA 47 HB3 ALA 47 15.832 26.276 13.885 369 H ILE 48 H ILE 48 14.958 24.800 11.910 370 HA ILE 48 HA ILE 48 12.590 25.392 10.292 371 HB ILE 48 HB ILE 48 13.337 22.912 11.853 372 HG12 ILE 48 HG12 ILE 48 13.581 23.374 8.854 373 HG13 ILE 48 HG13 ILE 48 14.934 23.539 9.983 374 HG21 ILE 48 HG21 ILE 48 11.201 23.338 9.710 375 HG22 ILE 48 HG22 ILE 48 11.616 21.772 10.438 376 HG23 ILE 48 HG23 ILE 48 10.894 23.023 11.431 377 HD11 ILE 48 HD11 ILE 48 13.440 20.977 9.389 378 HD12 ILE 48 HD12 ILE 48 15.126 21.375 9.036 379 HD13 ILE 48 HD13 ILE 48 14.597 21.172 10.717 380 H GLY 49 H GLY 49 10.792 26.293 11.023 381 HA2 GLY 49 HA2 GLY 49 10.334 26.678 13.927 382 HA3 GLY 49 HA3 GLY 49 9.558 27.524 12.592 383 H ARG 50 H ARG 50 8.632 25.300 11.081 384 HA ARG 50 HA ARG 50 7.121 23.501 12.850 385 HB2 ARG 50 HB2 ARG 50 5.576 25.138 10.807 386 HB3 ARG 50 HB3 ARG 50 4.938 23.915 11.896 387 HG2 ARG 50 HG2 ARG 50 5.586 25.506 13.825 388 HG3 ARG 50 HG3 ARG 50 5.804 26.738 12.569 389 HD2 ARG 50 HD2 ARG 50 3.292 25.231 13.355 390 HD3 ARG 50 HD3 ARG 50 3.540 26.961 13.402 391 HE ARG 50 HE ARG 50 2.810 25.260 11.094 392 HH11 ARG 50 HH11 ARG 50 3.911 28.505 11.907 393 HH12 ARG 50 HH12 ARG 50 3.427 29.125 10.351 394 HH21 ARG 50 HH21 ARG 50 2.253 26.065 9.242 395 HH22 ARG 50 HH22 ARG 50 2.445 27.779 8.863 396 H VAL 51 H VAL 51 6.217 21.742 11.835 397 HA VAL 51 HA VAL 51 6.519 21.393 8.888 398 HB VAL 51 HB VAL 51 7.043 19.180 10.896 399 HG11 VAL 51 HG11 VAL 51 7.752 17.911 8.891 400 HG12 VAL 51 HG12 VAL 51 6.047 18.386 8.803 401 HG13 VAL 51 HG13 VAL 51 7.261 19.274 7.859 402 HG21 VAL 51 HG21 VAL 51 8.961 20.727 10.899 403 HG22 VAL 51 HG22 VAL 51 9.348 19.173 10.163 404 HG23 VAL 51 HG23 VAL 51 9.069 20.602 9.124 405 H ASP 52 H ASP 52 4.442 21.458 8.252 406 HA ASP 52 HA ASP 52 2.302 20.262 9.966 407 HB2 ASP 52 HB2 ASP 52 2.082 22.340 7.767 408 HB3 ASP 52 HB3 ASP 52 0.791 21.774 8.822 409 H LEU 53 H LEU 53 2.560 18.087 9.265 410 HA LEU 53 HA LEU 53 2.831 17.263 6.542 411 HB2 LEU 53 HB2 LEU 53 1.620 15.684 8.858 412 HB3 LEU 53 HB3 LEU 53 2.147 15.044 7.328 413 HG LEU 53 HG LEU 53 3.729 14.420 8.881 414 HD11 LEU 53 HD11 LEU 53 4.686 15.170 6.743 415 HD12 LEU 53 HD12 LEU 53 4.958 16.787 7.420 416 HD13 LEU 53 HD13 LEU 53 5.821 15.382 8.090 417 HD21 LEU 53 HD21 LEU 53 3.251 16.040 10.680 418 HD22 LEU 53 HD22 LEU 53 4.972 15.781 10.393 419 HD23 LEU 53 HD23 LEU 53 4.208 17.265 9.812 420 H ARG 54 H ARG 54 -0.021 17.711 8.567 421 HA ARG 54 HA ARG 54 -2.043 16.774 6.763 422 HB2 ARG 54 HB2 ARG 54 -2.355 16.990 9.132 423 HB3 ARG 54 HB3 ARG 54 -2.004 18.724 9.093 424 HG2 ARG 54 HG2 ARG 54 -4.115 19.151 7.937 425 HG3 ARG 54 HG3 ARG 54 -4.425 17.413 7.775 426 HD2 ARG 54 HD2 ARG 54 -5.729 18.392 9.621 427 HD3 ARG 54 HD3 ARG 54 -4.604 17.177 10.196 428 HE ARG 54 HE ARG 54 -3.327 18.820 11.307 429 HH11 ARG 54 HH11 ARG 54 -5.911 20.399 9.561 430 HH12 ARG 54 HH12 ARG 54 -5.630 21.929 10.353 431 HH21 ARG 54 HH21 ARG 54 -3.015 20.821 12.275 432 HH22 ARG 54 HH22 ARG 54 -4.083 22.129 11.861 433 H SER 55 H SER 55 -0.478 19.940 7.022 434 HA SER 55 HA SER 55 -2.314 21.186 5.076 435 HB2 SER 55 HB2 SER 55 -1.556 22.357 7.125 436 HB3 SER 55 HB3 SER 55 0.103 22.328 6.503 437 HG SER 55 HG SER 55 -1.112 24.296 6.075 438 H GLY 56 H GLY 56 0.981 19.897 5.142 439 HA2 GLY 56 HA2 GLY 56 2.429 19.416 3.379 440 HA3 GLY 56 HA3 GLY 56 1.360 20.219 2.231 441 H VAL 57 H VAL 57 2.666 21.594 5.271 442 HA VAL 57 HA VAL 57 4.242 23.597 3.707 443 HB VAL 57 HB VAL 57 2.234 24.239 5.892 444 HG11 VAL 57 HG11 VAL 57 4.144 25.754 6.137 445 HG12 VAL 57 HG12 VAL 57 4.159 26.070 4.387 446 HG13 VAL 57 HG13 VAL 57 2.804 26.620 5.402 447 HG21 VAL 57 HG21 VAL 57 1.135 25.586 4.114 448 HG22 VAL 57 HG22 VAL 57 2.311 24.964 2.928 449 HG23 VAL 57 HG23 VAL 57 1.151 23.870 3.720 450 H ILE 58 H ILE 58 6.095 24.292 4.546 451 HA ILE 58 HA ILE 58 6.856 23.499 7.326 452 HB ILE 58 HB ILE 58 8.535 23.375 4.817 453 HG12 ILE 58 HG12 ILE 58 8.000 21.267 6.947 454 HG13 ILE 58 HG13 ILE 58 7.032 21.417 5.487 455 HG21 ILE 58 HG21 ILE 58 9.907 24.437 6.621 456 HG22 ILE 58 HG22 ILE 58 9.476 23.118 7.726 457 HG23 ILE 58 HG23 ILE 58 10.473 22.815 6.298 458 HD11 ILE 58 HD11 ILE 58 9.988 20.747 5.547 459 HD12 ILE 58 HD12 ILE 58 8.641 19.677 5.158 460 HD13 ILE 58 HD13 ILE 58 9.010 21.032 4.072 461 H SER 59 H SER 59 7.418 25.115 8.582 462 HA SER 59 HA SER 59 7.700 27.870 7.415 463 HB2 SER 59 HB2 SER 59 5.828 27.531 8.994 464 HB3 SER 59 HB3 SER 59 6.966 26.985 10.229 465 HG SER 59 HG SER 59 6.672 29.565 9.098 466 H LEU 60 H LEU 60 9.535 29.043 7.729 467 HA LEU 60 HA LEU 60 11.698 27.916 9.468 468 HB2 LEU 60 HB2 LEU 60 11.944 29.675 7.015 469 HB3 LEU 60 HB3 LEU 60 13.281 29.108 8.015 470 HG LEU 60 HG LEU 60 11.443 27.343 6.333 471 HD11 LEU 60 HD11 LEU 60 14.281 28.347 5.944 472 HD12 LEU 60 HD12 LEU 60 13.586 26.990 5.024 473 HD13 LEU 60 HD13 LEU 60 12.879 28.591 4.895 474 HD21 LEU 60 HD21 LEU 60 13.853 26.656 8.053 475 HD22 LEU 60 HD22 LEU 60 12.190 26.047 8.222 476 HD23 LEU 60 HD23 LEU 60 13.152 25.569 6.830 477 H ILE 61 H ILE 61 12.796 29.233 10.830 478 HA ILE 61 HA ILE 61 11.825 32.009 11.345 479 HB ILE 61 HB ILE 61 11.655 31.576 13.728 480 HG12 ILE 61 HG12 ILE 61 11.334 28.822 14.083 481 HG13 ILE 61 HG13 ILE 61 12.758 28.906 13.051 482 HG21 ILE 61 HG21 ILE 61 9.862 29.702 12.154 483 HG22 ILE 61 HG22 ILE 61 9.529 30.414 13.747 484 HG23 ILE 61 HG23 ILE 61 9.652 31.460 12.317 485 HD11 ILE 61 HD11 ILE 61 13.877 30.368 14.662 486 HD12 ILE 61 HD12 ILE 61 12.417 30.390 15.688 487 HD13 ILE 61 HD13 ILE 61 13.334 28.880 15.444 488 H GLU 62 H GLU 62 13.258 33.196 12.873 489 HA GLU 62 HA GLU 62 16.037 32.867 12.037 490 HB2 GLU 62 HB2 GLU 62 14.755 34.847 13.968 491 HB3 GLU 62 HB3 GLU 62 16.435 34.864 13.431 492 HG2 GLU 62 HG2 GLU 62 15.391 34.847 11.003 493 HG3 GLU 62 HG3 GLU 62 13.931 35.402 11.808 494 H GLU 63 H GLU 63 17.567 31.712 12.989 495 HA GLU 63 HA GLU 63 17.081 30.017 15.187 496 HB2 GLU 63 HB2 GLU 63 18.649 29.620 13.305 497 HB3 GLU 63 HB3 GLU 63 19.750 30.829 13.994 498 HG2 GLU 63 HG2 GLU 63 19.983 29.439 16.033 499 HG3 GLU 63 HG3 GLU 63 18.811 28.285 15.393 500 H GLN 64 H GLN 64 17.459 30.096 17.349 501 HA GLN 64 HA GLN 64 18.011 32.724 18.506 502 HB2 GLN 64 HB2 GLN 64 17.130 30.110 19.775 503 HB3 GLN 64 HB3 GLN 64 17.219 31.678 20.601 504 HG2 GLN 64 HG2 GLN 64 15.385 31.001 18.245 505 HG3 GLN 64 HG3 GLN 64 14.913 31.114 19.927 506 HE21 GLN 64 HE21 GLN 64 15.201 32.934 17.001 507 HE22 GLN 64 HE22 GLN 64 14.976 34.502 17.762 508 H ASN 65 H ASN 65 20.041 30.410 17.552 509 HA ASN 65 HA ASN 65 21.910 30.367 19.776 510 HB2 ASN 65 HB2 ASN 65 21.569 28.532 18.032 511 HB3 ASN 65 HB3 ASN 65 22.371 29.585 16.865 512 HD21 ASN 65 HD21 ASN 65 22.827 28.094 20.122 513 HD22 ASN 65 HD22 ASN 65 24.552 27.806 19.891 514 H ARG 66 H ARG 66 21.216 32.540 17.231 515 HA ARG 66 HA ARG 66 23.785 33.823 16.808 516 HB2 ARG 66 HB2 ARG 66 20.881 34.531 16.211 517 HB3 ARG 66 HB3 ARG 66 22.226 35.608 15.794 518 HG2 ARG 66 HG2 ARG 66 23.149 34.119 14.225 519 HG3 ARG 66 HG3 ARG 66 22.283 32.716 14.867 520 HD2 ARG 66 HD2 ARG 66 21.398 33.456 12.690 521 HD3 ARG 66 HD3 ARG 66 20.187 33.485 13.975 522 HE ARG 66 HE ARG 66 21.452 36.065 13.647 523 HH11 ARG 66 HH11 ARG 66 20.108 37.765 12.985 524 HH12 ARG 66 HH12 ARG 66 18.588 37.349 12.196 525 HH21 ARG 66 HH21 ARG 66 18.984 34.037 12.116 526 HH22 ARG 66 HH22 ARG 66 18.043 35.491 11.710 527 H1 GLY -3 H1 GLY -3 -5.378 2.834 -6.180 528 H2 GLY -3 H2 GLY -3 -5.859 3.306 -4.694 529 H3 GLY -3 H3 GLY -3 -4.464 2.465 -4.867 530 HA2 GLY -3 HA2 GLY -3 -3.452 4.268 -6.092 531 HA3 GLY -3 HA3 GLY -3 -4.965 5.177 -5.909 532 HA PRO -2 HA PRO -2 -2.025 6.094 -2.331 533 HB2 PRO -2 HB2 PRO -2 -1.652 8.778 -2.760 534 HB3 PRO -2 HB3 PRO -2 -0.676 7.505 -3.557 535 HG2 PRO -2 HG2 PRO -2 -3.113 8.954 -4.666 536 HG3 PRO -2 HG3 PRO -2 -1.527 8.698 -5.461 537 HD2 PRO -2 HD2 PRO -2 -3.637 7.062 -5.956 538 HD3 PRO -2 HD3 PRO -2 -1.976 6.407 -5.847 539 H GLY -1 H GLY -1 -2.470 7.388 -0.435 540 HA2 GLY -1 HA2 GLY -1 -5.273 7.562 0.235 541 HA3 GLY -1 HA3 GLY -1 -3.918 7.999 1.264 542 H SER 0 H SER 0 -6.405 9.349 1.098 543 HA SER 0 HA SER 0 -6.208 11.806 -0.428 544 HB2 SER 0 HB2 SER 0 -8.007 11.147 1.941 545 HB3 SER 0 HB3 SER 0 -8.255 12.443 0.764 546 HG SER 0 HG SER 0 -8.596 10.910 -0.837 547 H MET 1 H MET 1 -4.521 10.963 2.328 548 HA MET 1 HA MET 1 -3.818 13.752 2.968 549 HB2 MET 1 HB2 MET 1 -4.193 13.500 5.342 550 HB3 MET 1 HB3 MET 1 -5.712 13.254 4.487 551 HG2 MET 1 HG2 MET 1 -5.552 10.837 4.758 552 HG3 MET 1 HG3 MET 1 -3.948 10.959 5.462 553 HE1 MET 1 HE1 MET 1 -3.966 13.182 7.607 554 HE2 MET 1 HE2 MET 1 -4.552 12.310 9.043 555 HE3 MET 1 HE3 MET 1 -3.411 11.529 7.932 556 H CYS 2 H CYS 2 -1.965 13.738 4.660 557 HA CYS 2 HA CYS 2 -0.354 11.261 4.623 558 HB2 CYS 2 HB2 CYS 2 0.267 12.688 2.654 559 HB3 CYS 2 HB3 CYS 2 0.874 13.901 3.790 560 H MET 3 H MET 3 1.416 11.257 6.097 561 HA MET 3 HA MET 3 1.310 12.883 8.522 562 HB2 MET 3 HB2 MET 3 0.504 11.042 9.928 563 HB3 MET 3 HB3 MET 3 -0.698 11.489 8.719 564 HG2 MET 3 HG2 MET 3 0.362 9.534 7.309 565 HG3 MET 3 HG3 MET 3 1.001 9.000 8.857 566 HE1 MET 3 HE1 MET 3 -2.168 8.056 10.886 567 HE2 MET 3 HE2 MET 3 -0.394 8.035 10.780 568 HE3 MET 3 HE3 MET 3 -1.258 9.582 10.964 569 H ALA 4 H ALA 4 2.843 11.957 10.186 570 HA ALA 4 HA ALA 4 5.094 10.410 8.981 571 HB1 ALA 4 HB1 ALA 4 6.643 12.223 9.770 572 HB2 ALA 4 HB2 ALA 4 5.478 12.814 8.580 573 HB3 ALA 4 HB3 ALA 4 5.243 13.154 10.312 574 H LYS 5 H LYS 5 6.905 10.249 10.694 575 HA LYS 5 HA LYS 5 5.880 9.970 13.480 576 HB2 LYS 5 HB2 LYS 5 7.368 8.081 13.871 577 HB3 LYS 5 HB3 LYS 5 6.156 7.706 12.649 578 HG2 LYS 5 HG2 LYS 5 7.808 8.004 10.849 579 HG3 LYS 5 HG3 LYS 5 9.052 8.474 12.016 580 HD2 LYS 5 HD2 LYS 5 7.647 5.772 11.982 581 HD3 LYS 5 HD3 LYS 5 9.199 6.108 11.197 582 HE2 LYS 5 HE2 LYS 5 10.189 6.754 13.379 583 HE3 LYS 5 HE3 LYS 5 8.643 6.447 14.173 584 HZ1 LYS 5 HZ1 LYS 5 10.088 4.549 14.411 585 HZ2 LYS 5 HZ2 LYS 5 8.827 4.111 13.469 586 HZ3 LYS 5 HZ3 LYS 5 10.282 4.396 12.786 587 H VAL 6 H VAL 6 7.274 10.508 15.125 588 HA VAL 6 HA VAL 6 9.647 12.177 14.365 589 HB VAL 6 HB VAL 6 7.774 12.399 16.730 590 HG11 VAL 6 HG11 VAL 6 9.218 14.313 17.473 591 HG12 VAL 6 HG12 VAL 6 9.988 12.755 17.662 592 HG13 VAL 6 HG13 VAL 6 10.445 13.814 16.295 593 HG21 VAL 6 HG21 VAL 6 7.373 14.632 15.905 594 HG22 VAL 6 HG22 VAL 6 8.661 14.480 14.687 595 HG23 VAL 6 HG23 VAL 6 7.174 13.537 14.529 596 H VAL 7 H VAL 7 11.598 11.778 15.273 597 HA VAL 7 HA VAL 7 11.842 9.735 17.417 598 HB VAL 7 HB VAL 7 12.279 8.522 15.396 599 HG11 VAL 7 HG11 VAL 7 14.194 8.978 13.938 600 HG12 VAL 7 HG12 VAL 7 13.034 10.300 13.858 601 HG13 VAL 7 HG13 VAL 7 14.526 10.493 14.803 602 HG21 VAL 7 HG21 VAL 7 14.402 7.559 15.948 603 HG22 VAL 7 HG22 VAL 7 14.935 9.022 16.800 604 HG23 VAL 7 HG23 VAL 7 13.618 8.035 17.460 605 H LEU 8 H LEU 8 13.342 10.098 18.927 606 HA LEU 8 HA LEU 8 15.391 12.189 18.682 607 HB2 LEU 8 HB2 LEU 8 14.621 13.487 20.564 608 HB3 LEU 8 HB3 LEU 8 13.341 13.369 19.383 609 HG LEU 8 HG LEU 8 12.577 11.291 20.943 610 HD11 LEU 8 HD11 LEU 8 13.993 13.215 22.847 611 HD12 LEU 8 HD12 LEU 8 12.858 11.946 23.341 612 HD13 LEU 8 HD13 LEU 8 14.394 11.499 22.607 613 HD21 LEU 8 HD21 LEU 8 11.190 13.231 20.359 614 HD22 LEU 8 HD22 LEU 8 11.031 12.804 22.063 615 HD23 LEU 8 HD23 LEU 8 12.012 14.206 21.595 616 H THR 9 H THR 9 16.912 12.145 20.543 617 HA THR 9 HA THR 9 16.880 9.590 22.097 618 HB THR 9 HB THR 9 19.364 10.640 20.704 619 HG1 THR 9 HG1 THR 9 17.963 9.771 19.191 620 HG21 THR 9 HG21 THR 9 19.855 9.321 22.740 621 HG22 THR 9 HG22 THR 9 18.803 8.002 22.156 622 HG23 THR 9 HG23 THR 9 20.297 8.415 21.288 623 H LYS 10 H LYS 10 17.303 9.803 24.156 624 HA LYS 10 HA LYS 10 17.696 12.368 25.424 625 HB2 LYS 10 HB2 LYS 10 17.888 9.544 26.554 626 HB3 LYS 10 HB3 LYS 10 17.781 11.015 27.516 627 HG2 LYS 10 HG2 LYS 10 15.537 11.491 26.595 628 HG3 LYS 10 HG3 LYS 10 15.611 10.014 25.630 629 HD2 LYS 10 HD2 LYS 10 15.980 8.715 27.789 630 HD3 LYS 10 HD3 LYS 10 15.600 10.216 28.662 631 HE2 LYS 10 HE2 LYS 10 13.413 10.312 27.420 632 HE3 LYS 10 HE3 LYS 10 13.827 8.753 26.684 633 HZ1 LYS 10 HZ1 LYS 10 12.408 8.464 28.631 634 HZ2 LYS 10 HZ2 LYS 10 13.865 7.778 28.916 635 HZ3 LYS 10 HZ3 LYS 10 13.482 9.222 29.593 636 H ALA 11 H ALA 11 19.347 12.830 27.026 637 HA ALA 11 HA ALA 11 22.081 12.534 26.169 638 HB1 ALA 11 HB1 ALA 11 21.228 14.430 27.524 639 HB2 ALA 11 HB2 ALA 11 20.922 13.319 28.882 640 HB3 ALA 11 HB3 ALA 11 22.589 13.607 28.326 641 H ASP 12 H ASP 12 20.019 10.626 28.312 642 HA ASP 12 HA ASP 12 22.055 8.895 29.392 643 HB2 ASP 12 HB2 ASP 12 19.040 8.593 29.075 644 HB3 ASP 12 HB3 ASP 12 20.073 7.550 30.052 645 H GLY 13 H GLY 13 20.956 9.130 26.207 646 HA2 GLY 13 HA2 GLY 13 21.517 7.831 24.376 647 HA3 GLY 13 HA3 GLY 13 22.040 6.518 25.422 648 H GLY 14 H GLY 14 18.888 7.629 26.227 649 HA2 GLY 14 HA2 GLY 14 17.620 5.165 25.202 650 HA3 GLY 14 HA3 GLY 14 16.904 6.410 26.238 651 H ARG 15 H ARG 15 16.806 5.113 23.163 652 HA ARG 15 HA ARG 15 16.026 7.559 21.731 653 HB2 ARG 15 HB2 ARG 15 17.155 5.515 20.680 654 HB3 ARG 15 HB3 ARG 15 15.578 4.724 20.752 655 HG2 ARG 15 HG2 ARG 15 14.608 6.581 19.381 656 HG3 ARG 15 HG3 ARG 15 16.166 7.403 19.410 657 HD2 ARG 15 HD2 ARG 15 16.082 6.371 17.302 658 HD3 ARG 15 HD3 ARG 15 17.183 5.391 18.260 659 HE ARG 15 HE ARG 15 14.281 4.684 17.761 660 HH11 ARG 15 HH11 ARG 15 17.591 3.495 17.923 661 HH12 ARG 15 HH12 ARG 15 17.081 1.875 17.526 662 HH21 ARG 15 HH21 ARG 15 13.748 2.775 17.275 663 HH22 ARG 15 HH22 ARG 15 14.908 1.449 17.168 664 H VAL 16 H VAL 16 14.023 8.231 21.223 665 HA VAL 16 HA VAL 16 11.618 6.834 22.296 666 HB VAL 16 HB VAL 16 12.259 9.776 22.634 667 HG11 VAL 16 HG11 VAL 16 9.862 9.511 22.186 668 HG12 VAL 16 HG12 VAL 16 9.759 8.247 23.433 669 HG13 VAL 16 HG13 VAL 16 10.145 9.930 23.877 670 HG21 VAL 16 HG21 VAL 16 11.934 7.564 24.700 671 HG22 VAL 16 HG22 VAL 16 13.428 8.447 24.313 672 HG23 VAL 16 HG23 VAL 16 12.067 9.295 25.060 673 H GLU 17 H GLU 17 9.838 6.925 21.004 674 HA GLU 17 HA GLU 17 9.974 8.451 18.455 675 HB2 GLU 17 HB2 GLU 17 9.438 5.470 18.725 676 HB3 GLU 17 HB3 GLU 17 9.161 6.423 17.262 677 HG2 GLU 17 HG2 GLU 17 11.522 6.978 17.094 678 HG3 GLU 17 HG3 GLU 17 11.883 6.159 18.614 679 H ILE 18 H ILE 18 8.040 9.032 17.552 680 HA ILE 18 HA ILE 18 5.487 8.360 18.978 681 HB ILE 18 HB ILE 18 6.295 11.110 17.984 682 HG12 ILE 18 HG12 ILE 18 5.645 10.385 20.870 683 HG13 ILE 18 HG13 ILE 18 7.298 10.334 20.262 684 HG21 ILE 18 HG21 ILE 18 3.881 10.670 17.634 685 HG22 ILE 18 HG22 ILE 18 3.721 10.168 19.324 686 HG23 ILE 18 HG23 ILE 18 4.096 11.845 18.908 687 HD11 ILE 18 HD11 ILE 18 5.557 12.818 20.245 688 HD12 ILE 18 HD12 ILE 18 6.885 12.447 21.344 689 HD13 ILE 18 HD13 ILE 18 7.214 12.698 19.617 690 H GLY 19 H GLY 19 4.120 7.440 17.577 691 HA2 GLY 19 HA2 GLY 19 4.482 7.674 14.642 692 HA3 GLY 19 HA3 GLY 19 3.452 6.539 15.494 693 H ASP 20 H ASP 20 2.516 7.779 13.327 694 HA ASP 20 HA ASP 20 0.793 8.896 12.451 695 HB2 ASP 20 HB2 ASP 20 -0.506 8.528 15.169 696 HB3 ASP 20 HB3 ASP 20 -1.322 8.757 13.623 697 H VAL 21 H VAL 21 2.729 10.700 13.222 698 HA VAL 21 HA VAL 21 1.585 13.012 14.602 699 HB VAL 21 HB VAL 21 4.158 12.675 13.030 700 HG11 VAL 21 HG11 VAL 21 3.269 14.939 14.856 701 HG12 VAL 21 HG12 VAL 21 4.911 14.694 14.209 702 HG13 VAL 21 HG13 VAL 21 3.578 15.040 13.099 703 HG21 VAL 21 HG21 VAL 21 3.578 12.633 16.029 704 HG22 VAL 21 HG22 VAL 21 4.110 11.254 15.052 705 HG23 VAL 21 HG23 VAL 21 5.196 12.615 15.309 706 H LEU 22 H LEU 22 0.484 14.647 13.763 707 HA LEU 22 HA LEU 22 0.268 14.933 10.789 708 HB2 LEU 22 HB2 LEU 22 -1.578 15.944 12.975 709 HB3 LEU 22 HB3 LEU 22 -1.773 16.208 11.248 710 HG LEU 22 HG LEU 22 -2.012 13.572 12.736 711 HD11 LEU 22 HD11 LEU 22 -3.966 15.072 12.790 712 HD12 LEU 22 HD12 LEU 22 -3.940 15.186 11.017 713 HD13 LEU 22 HD13 LEU 22 -4.301 13.641 11.796 714 HD21 LEU 22 HD21 LEU 22 -0.899 13.065 10.628 715 HD22 LEU 22 HD22 LEU 22 -2.571 12.532 10.559 716 HD23 LEU 22 HD23 LEU 22 -2.090 14.029 9.721 717 H GLU 23 H GLU 23 1.421 16.602 13.660 718 HA GLU 23 HA GLU 23 2.820 18.427 11.923 719 HB2 GLU 23 HB2 GLU 23 2.019 20.534 12.912 720 HB3 GLU 23 HB3 GLU 23 0.790 19.708 11.977 721 HG2 GLU 23 HG2 GLU 23 -0.172 18.820 14.156 722 HG3 GLU 23 HG3 GLU 23 0.992 19.845 15.015 723 H VAL 24 H VAL 24 4.435 19.612 12.868 724 HA VAL 24 HA VAL 24 5.238 19.062 15.689 725 HB VAL 24 HB VAL 24 7.072 18.879 13.259 726 HG11 VAL 24 HG11 VAL 24 7.690 18.363 16.202 727 HG12 VAL 24 HG12 VAL 24 8.793 18.101 14.832 728 HG13 VAL 24 HG13 VAL 24 8.274 19.734 15.245 729 HG21 VAL 24 HG21 VAL 24 5.711 16.861 13.376 730 HG22 VAL 24 HG22 VAL 24 7.335 16.482 13.930 731 HG23 VAL 24 HG23 VAL 24 6.031 16.698 15.116 732 H ARG 25 H ARG 25 6.240 20.807 16.688 733 HA ARG 25 HA ARG 25 6.779 23.295 15.094 734 HB2 ARG 25 HB2 ARG 25 5.166 23.288 17.674 735 HB3 ARG 25 HB3 ARG 25 5.587 24.672 16.668 736 HG2 ARG 25 HG2 ARG 25 4.188 23.646 14.812 737 HG3 ARG 25 HG3 ARG 25 3.658 22.412 15.966 738 HD2 ARG 25 HD2 ARG 25 2.839 24.236 17.476 739 HD3 ARG 25 HD3 ARG 25 3.312 25.417 16.242 740 HE ARG 25 HE ARG 25 1.474 23.316 15.299 741 HH11 ARG 25 HH11 ARG 25 1.529 26.522 16.733 742 HH12 ARG 25 HH12 ARG 25 -0.101 26.853 16.214 743 HH21 ARG 25 HH21 ARG 25 -0.536 23.754 14.753 744 HH22 ARG 25 HH22 ARG 25 -1.257 25.325 15.101 745 H ALA 26 H ALA 26 8.305 24.665 15.899 746 HA ALA 26 HA ALA 26 9.842 23.767 18.302 747 HB1 ALA 26 HB1 ALA 26 11.148 23.695 16.238 748 HB2 ALA 26 HB2 ALA 26 10.764 25.408 15.923 749 HB3 ALA 26 HB3 ALA 26 11.737 24.949 17.344 750 H GLU 27 H GLU 27 9.734 24.936 20.020 751 HA GLU 27 HA GLU 27 8.751 27.761 20.073 752 HB2 GLU 27 HB2 GLU 27 9.426 25.801 22.303 753 HB3 GLU 27 HB3 GLU 27 8.794 27.421 22.542 754 HG2 GLU 27 HG2 GLU 27 7.347 25.113 21.196 755 HG3 GLU 27 HG3 GLU 27 7.053 25.709 22.819 756 H GLY 28 H GLY 28 10.041 29.172 21.666 757 HA2 GLY 28 HA2 GLY 28 12.832 29.377 20.894 758 HA3 GLY 28 HA3 GLY 28 11.968 30.386 22.058 759 H GLY 29 H GLY 29 12.768 26.894 21.936 760 HA2 GLY 29 HA2 GLY 29 14.759 26.438 23.610 761 HA3 GLY 29 HA3 GLY 29 13.552 26.904 24.810 762 H ALA 30 H ALA 30 11.980 25.194 22.291 763 HA ALA 30 HA ALA 30 12.381 22.508 23.358 764 HB1 ALA 30 HB1 ALA 30 10.915 23.584 25.097 765 HB2 ALA 30 HB2 ALA 30 9.730 23.972 23.834 766 HB3 ALA 30 HB3 ALA 30 10.092 22.282 24.235 767 H VAL 31 H VAL 31 11.021 20.900 22.296 768 HA VAL 31 HA VAL 31 9.709 21.791 19.738 769 HB VAL 31 HB VAL 31 11.160 19.196 20.268 770 HG11 VAL 31 HG11 VAL 31 9.158 18.576 18.997 771 HG12 VAL 31 HG12 VAL 31 9.384 19.963 17.899 772 HG13 VAL 31 HG13 VAL 31 10.524 18.618 17.885 773 HG21 VAL 31 HG21 VAL 31 12.488 19.883 18.312 774 HG22 VAL 31 HG22 VAL 31 11.504 21.353 18.131 775 HG23 VAL 31 HG23 VAL 31 12.535 21.137 19.557 776 H ARG 32 H ARG 32 7.712 21.088 19.257 777 HA ARG 32 HA ARG 32 6.142 19.489 21.252 778 HB2 ARG 32 HB2 ARG 32 5.345 21.944 19.630 779 HB3 ARG 32 HB3 ARG 32 4.196 20.914 20.511 780 HG2 ARG 32 HG2 ARG 32 5.151 21.537 22.646 781 HG3 ARG 32 HG3 ARG 32 6.533 22.323 21.871 782 HD2 ARG 32 HD2 ARG 32 5.009 24.044 22.597 783 HD3 ARG 32 HD3 ARG 32 5.055 23.976 20.826 784 HE ARG 32 HE ARG 32 2.878 22.399 21.982 785 HH11 ARG 32 HH11 ARG 32 3.666 25.682 20.922 786 HH12 ARG 32 HH12 ARG 32 1.974 26.064 20.725 787 HH21 ARG 32 HH21 ARG 32 0.901 22.927 21.728 788 HH22 ARG 32 HH22 ARG 32 0.387 24.521 21.156 789 H VAL 33 H VAL 33 4.680 18.047 20.431 790 HA VAL 33 HA VAL 33 4.585 17.515 17.480 791 HB VAL 33 HB VAL 33 5.149 15.476 19.668 792 HG11 VAL 33 HG11 VAL 33 4.941 15.138 16.665 793 HG12 VAL 33 HG12 VAL 33 5.534 13.890 17.784 794 HG13 VAL 33 HG13 VAL 33 3.866 14.430 17.889 795 HG21 VAL 33 HG21 VAL 33 7.342 15.162 18.572 796 HG22 VAL 33 HG22 VAL 33 6.994 16.516 17.478 797 HG23 VAL 33 HG23 VAL 33 7.180 16.784 19.230 798 H THR 34 H THR 34 2.577 16.901 16.745 799 HA THR 34 HA THR 34 0.470 16.197 18.758 800 HB THR 34 HB THR 34 0.166 18.041 16.374 801 HG1 THR 34 HG1 THR 34 0.073 18.581 19.166 802 HG21 THR 34 HG21 THR 34 -1.823 17.209 18.532 803 HG22 THR 34 HG22 THR 34 -2.072 18.544 17.375 804 HG23 THR 34 HG23 THR 34 -1.931 16.885 16.790 805 H THR 35 H THR 35 -0.670 14.420 18.365 806 HA THR 35 HA THR 35 -0.179 12.906 15.893 807 HB THR 35 HB THR 35 -1.070 11.017 16.987 808 HG1 THR 35 HG1 THR 35 -1.993 11.175 19.047 809 HG21 THR 35 HG21 THR 35 1.212 11.715 17.735 810 HG22 THR 35 HG22 THR 35 0.474 12.539 19.124 811 HG23 THR 35 HG23 THR 35 0.318 10.780 18.951 812 H LEU 36 H LEU 36 -1.877 11.609 14.920 813 HA LEU 36 HA LEU 36 -4.146 12.834 13.858 814 HB2 LEU 36 HB2 LEU 36 -3.084 10.841 12.964 815 HB3 LEU 36 HB3 LEU 36 -3.397 9.955 14.457 816 HG LEU 36 HG LEU 36 -5.819 9.926 13.981 817 HD11 LEU 36 HD11 LEU 36 -5.032 11.210 11.321 818 HD12 LEU 36 HD12 LEU 36 -6.643 10.559 11.754 819 HD13 LEU 36 HD13 LEU 36 -6.008 11.983 12.588 820 HD21 LEU 36 HD21 LEU 36 -4.131 8.940 11.648 821 HD22 LEU 36 HD22 LEU 36 -4.317 8.108 13.207 822 HD23 LEU 36 HD23 LEU 36 -5.727 8.335 12.145 823 H PHE 37 H PHE 37 -3.834 11.326 17.003 824 HA PHE 37 HA PHE 37 -6.762 11.504 17.499 825 HB2 PHE 37 HB2 PHE 37 -4.605 10.111 19.099 826 HB3 PHE 37 HB3 PHE 37 -6.357 10.013 19.359 827 HD1 PHE 37 HD1 PHE 37 -7.813 9.115 17.434 828 HD2 PHE 37 HD2 PHE 37 -3.533 8.645 17.516 829 HE1 PHE 37 HE1 PHE 37 -7.968 7.379 15.656 830 HE2 PHE 37 HE2 PHE 37 -3.687 6.923 15.750 831 HZ PHE 37 HZ PHE 37 -5.903 6.305 14.784 832 H ASP 38 H ASP 38 -4.712 13.744 17.471 833 HA ASP 38 HA ASP 38 -4.218 15.651 18.420 834 HB2 ASP 38 HB2 ASP 38 -5.961 16.963 19.436 835 HB3 ASP 38 HB3 ASP 38 -6.510 16.090 18.028 836 H GLU 39 H GLU 39 -3.360 13.261 19.973 837 HA GLU 39 HA GLU 39 -2.962 14.273 22.700 838 HB2 GLU 39 HB2 GLU 39 -1.506 12.069 21.190 839 HB3 GLU 39 HB3 GLU 39 -1.300 12.496 22.895 840 HG2 GLU 39 HG2 GLU 39 -3.724 11.992 23.278 841 HG3 GLU 39 HG3 GLU 39 -3.856 11.457 21.599 842 H GLU 40 H GLU 40 -1.321 15.532 23.397 843 HA GLU 40 HA GLU 40 0.671 16.523 21.412 844 HB2 GLU 40 HB2 GLU 40 -0.890 18.213 22.125 845 HB3 GLU 40 HB3 GLU 40 -0.492 17.911 23.833 846 HG2 GLU 40 HG2 GLU 40 1.787 18.689 23.503 847 HG3 GLU 40 HG3 GLU 40 1.563 18.765 21.759 848 H HIS 41 H HIS 41 2.766 16.374 21.779 849 HA HIS 41 HA HIS 41 3.796 15.527 24.458 850 HB2 HIS 41 HB2 HIS 41 5.013 14.741 21.790 851 HB3 HIS 41 HB3 HIS 41 5.461 14.181 23.386 852 HD2 HIS 41 HD2 HIS 41 2.971 13.564 20.576 853 HE1 HIS 41 HE1 HIS 41 2.031 10.687 23.578 854 HE2 HIS 41 HE2 HIS 41 1.581 11.405 21.184 855 H ALA 42 H ALA 42 5.757 16.550 25.097 856 HA ALA 42 HA ALA 42 6.912 18.611 23.328 857 HB1 ALA 42 HB1 ALA 42 5.054 19.760 24.498 858 HB2 ALA 42 HB2 ALA 42 5.755 19.271 26.068 859 HB3 ALA 42 HB3 ALA 42 6.632 20.397 24.998 860 H PHE 43 H PHE 43 8.982 19.122 23.705 861 HA PHE 43 HA PHE 43 10.472 17.645 25.837 862 HB2 PHE 43 HB2 PHE 43 11.069 17.690 22.866 863 HB3 PHE 43 HB3 PHE 43 12.034 16.899 24.117 864 HD1 PHE 43 HD1 PHE 43 9.109 16.656 21.931 865 HD2 PHE 43 HD2 PHE 43 11.075 14.930 25.366 866 HE1 PHE 43 HE1 PHE 43 7.692 14.645 21.727 867 HE2 PHE 43 HE2 PHE 43 9.656 12.901 25.150 868 HZ PHE 43 HZ PHE 43 7.949 12.759 23.346 869 HA PRO 44 HA PRO 44 12.279 21.843 25.791 870 HB2 PRO 44 HB2 PRO 44 13.495 21.807 28.226 871 HB3 PRO 44 HB3 PRO 44 11.729 22.037 28.021 872 HG2 PRO 44 HG2 PRO 44 13.211 19.460 28.660 873 HG3 PRO 44 HG3 PRO 44 11.755 20.144 29.472 874 HD2 PRO 44 HD2 PRO 44 11.595 18.231 27.536 875 HD3 PRO 44 HD3 PRO 44 10.345 19.511 27.682 876 H GLY 45 H GLY 45 14.262 22.582 25.210 877 HA2 GLY 45 HA2 GLY 45 16.538 22.645 24.788 878 HA3 GLY 45 HA3 GLY 45 16.745 21.177 25.748 879 H LEU 46 H LEU 46 14.488 20.894 23.130 880 HA LEU 46 HA LEU 46 16.553 19.662 21.354 881 HB2 LEU 46 HB2 LEU 46 13.558 19.146 21.422 882 HB3 LEU 46 HB3 LEU 46 14.724 18.424 20.313 883 HG LEU 46 HG LEU 46 14.504 17.921 23.313 884 HD11 LEU 46 HD11 LEU 46 12.909 16.765 21.711 885 HD12 LEU 46 HD12 LEU 46 14.311 16.037 20.917 886 HD13 LEU 46 HD13 LEU 46 13.961 15.662 22.612 887 HD21 LEU 46 HD21 LEU 46 16.883 17.886 22.784 888 HD22 LEU 46 HD22 LEU 46 16.316 16.225 22.966 889 HD23 LEU 46 HD23 LEU 46 16.591 16.896 21.334 890 H ALA 47 H ALA 47 16.273 19.889 19.101 891 HA ALA 47 HA ALA 47 14.483 22.009 18.059 892 HB1 ALA 47 HB1 ALA 47 16.312 22.890 16.643 893 HB2 ALA 47 HB2 ALA 47 16.649 23.116 18.359 894 HB3 ALA 47 HB3 ALA 47 17.465 21.812 17.464 895 H ILE 48 H ILE 48 14.004 21.725 15.765 896 HA ILE 48 HA ILE 48 13.881 18.914 14.947 897 HB ILE 48 HB ILE 48 13.059 21.416 13.444 898 HG12 ILE 48 HG12 ILE 48 11.210 19.531 14.967 899 HG13 ILE 48 HG13 ILE 48 11.835 21.016 15.674 900 HG21 ILE 48 HG21 ILE 48 12.309 18.484 12.993 901 HG22 ILE 48 HG22 ILE 48 11.683 19.862 12.073 902 HG23 ILE 48 HG23 ILE 48 13.387 19.444 11.960 903 HD11 ILE 48 HD11 ILE 48 9.676 21.521 14.848 904 HD12 ILE 48 HD12 ILE 48 10.843 22.320 13.786 905 HD13 ILE 48 HD13 ILE 48 10.011 20.838 13.250 906 H GLY 49 H GLY 49 15.439 17.860 13.871 907 HA2 GLY 49 HA2 GLY 49 17.787 19.376 12.835 908 HA3 GLY 49 HA3 GLY 49 17.722 17.688 13.309 909 H ARG 50 H ARG 50 15.558 16.751 11.784 910 HA ARG 50 HA ARG 50 16.080 17.389 8.937 911 HB2 ARG 50 HB2 ARG 50 17.852 15.826 9.446 912 HB3 ARG 50 HB3 ARG 50 16.731 14.702 10.201 913 HG2 ARG 50 HG2 ARG 50 15.676 14.176 8.103 914 HG3 ARG 50 HG3 ARG 50 16.545 15.461 7.252 915 HD2 ARG 50 HD2 ARG 50 18.684 14.333 7.625 916 HD3 ARG 50 HD3 ARG 50 17.885 13.093 8.607 917 HE ARG 50 HE ARG 50 16.550 13.099 6.131 918 HH11 ARG 50 HH11 ARG 50 19.867 12.446 7.095 919 HH12 ARG 50 HH12 ARG 50 20.084 11.254 5.836 920 HH21 ARG 50 HH21 ARG 50 16.820 11.461 4.750 921 HH22 ARG 50 HH22 ARG 50 18.404 10.744 4.481 922 H VAL 51 H VAL 51 14.505 16.855 7.561 923 HA VAL 51 HA VAL 51 11.966 15.590 8.534 924 HB VAL 51 HB VAL 51 12.300 18.250 7.060 925 HG11 VAL 51 HG11 VAL 51 9.858 18.489 7.357 926 HG12 VAL 51 HG12 VAL 51 10.265 17.123 6.314 927 HG13 VAL 51 HG13 VAL 51 9.782 16.833 8.002 928 HG21 VAL 51 HG21 VAL 51 11.328 17.768 9.902 929 HG22 VAL 51 HG22 VAL 51 12.855 18.539 9.429 930 HG23 VAL 51 HG23 VAL 51 11.346 19.334 9.028 931 H ASP 52 H ASP 52 11.911 13.797 7.225 932 HA ASP 52 HA ASP 52 12.349 14.162 4.270 933 HB2 ASP 52 HB2 ASP 52 12.538 11.665 5.975 934 HB3 ASP 52 HB3 ASP 52 12.585 11.694 4.211 935 H LEU 53 H LEU 53 10.450 14.437 3.234 936 HA LEU 53 HA LEU 53 7.947 13.602 4.516 937 HB2 LEU 53 HB2 LEU 53 8.452 15.054 1.898 938 HB3 LEU 53 HB3 LEU 53 6.905 14.907 2.721 939 HG LEU 53 HG LEU 53 9.335 16.341 3.924 940 HD11 LEU 53 HD11 LEU 53 8.595 17.419 1.892 941 HD12 LEU 53 HD12 LEU 53 6.915 17.423 2.461 942 HD13 LEU 53 HD13 LEU 53 8.158 18.390 3.298 943 HD21 LEU 53 HD21 LEU 53 6.382 16.294 4.705 944 HD22 LEU 53 HD22 LEU 53 7.723 15.580 5.636 945 HD23 LEU 53 HD23 LEU 53 7.631 17.329 5.437 946 H ARG 54 H ARG 54 9.886 12.456 1.838 947 HA ARG 54 HA ARG 54 7.892 10.788 0.565 948 HB2 ARG 54 HB2 ARG 54 9.920 11.539 -0.561 949 HB3 ARG 54 HB3 ARG 54 10.935 10.671 0.606 950 HG2 ARG 54 HG2 ARG 54 10.156 8.525 -0.200 951 HG3 ARG 54 HG3 ARG 54 8.899 9.287 -1.188 952 HD2 ARG 54 HD2 ARG 54 10.768 8.574 -2.594 953 HD3 ARG 54 HD3 ARG 54 10.603 10.341 -2.607 954 HE ARG 54 HE ARG 54 12.500 9.426 -0.602 955 HH11 ARG 54 HH11 ARG 54 12.304 9.974 -4.059 956 HH12 ARG 54 HH12 ARG 54 13.999 10.335 -4.196 957 HH21 ARG 54 HH21 ARG 54 14.666 9.903 -0.849 958 HH22 ARG 54 HH22 ARG 54 15.296 10.284 -2.422 959 H SER 55 H SER 55 10.292 10.101 3.131 960 HA SER 55 HA SER 55 9.209 7.386 3.581 961 HB2 SER 55 HB2 SER 55 10.953 7.245 5.280 962 HB3 SER 55 HB3 SER 55 11.613 7.750 3.716 963 HG SER 55 HG SER 55 12.444 9.025 5.397 964 H GLY 56 H GLY 56 8.744 10.603 4.882 965 HA2 GLY 56 HA2 GLY 56 7.138 11.389 6.356 966 HA3 GLY 56 HA3 GLY 56 6.532 9.749 6.578 967 H VAL 57 H VAL 57 9.775 11.215 7.180 968 HA VAL 57 HA VAL 57 9.563 10.433 10.073 969 HB VAL 57 HB VAL 57 12.008 9.947 8.337 970 HG11 VAL 57 HG11 VAL 57 12.646 10.471 10.652 971 HG12 VAL 57 HG12 VAL 57 11.434 9.333 11.275 972 HG13 VAL 57 HG13 VAL 57 12.852 8.753 10.368 973 HG21 VAL 57 HG21 VAL 57 10.273 8.277 7.832 974 HG22 VAL 57 HG22 VAL 57 11.556 7.542 8.790 975 HG23 VAL 57 HG23 VAL 57 10.021 7.989 9.577 976 H ILE 58 H ILE 58 10.142 11.887 11.477 977 HA ILE 58 HA ILE 58 11.776 14.262 10.671 978 HB ILE 58 HB ILE 58 9.415 14.094 12.561 979 HG12 ILE 58 HG12 ILE 58 9.798 15.764 10.041 980 HG13 ILE 58 HG13 ILE 58 8.923 14.238 10.083 981 HG21 ILE 58 HG21 ILE 58 9.780 16.522 12.973 982 HG22 ILE 58 HG22 ILE 58 11.146 15.583 13.540 983 HG23 ILE 58 HG23 ILE 58 11.267 16.463 12.002 984 HD11 ILE 58 HD11 ILE 58 7.315 15.951 10.147 985 HD12 ILE 58 HD12 ILE 58 7.331 15.197 11.750 986 HD13 ILE 58 HD13 ILE 58 8.092 16.786 11.500 987 H SER 59 H SER 59 13.582 14.566 11.793 988 HA SER 59 HA SER 59 14.122 12.884 14.224 989 HB2 SER 59 HB2 SER 59 15.397 12.228 12.189 990 HB3 SER 59 HB3 SER 59 16.058 13.870 12.112 991 HG SER 59 HG SER 59 16.510 11.842 14.043 992 H LEU 60 H LEU 60 14.584 13.909 16.038 993 HA LEU 60 HA LEU 60 15.102 16.845 16.006 994 HB2 LEU 60 HB2 LEU 60 14.425 15.138 18.395 995 HB3 LEU 60 HB3 LEU 60 14.429 16.888 18.280 996 HG LEU 60 HG LEU 60 12.441 14.957 16.982 997 HD11 LEU 60 HD11 LEU 60 12.113 17.147 19.070 998 HD12 LEU 60 HD12 LEU 60 10.816 16.120 18.412 999 HD13 LEU 60 HD13 LEU 60 12.108 15.397 19.379 1000 HD21 LEU 60 HD21 LEU 60 11.229 16.973 16.193 1001 HD22 LEU 60 HD22 LEU 60 12.594 17.994 16.717 1002 HD23 LEU 60 HD23 LEU 60 12.783 16.810 15.406 1003 H ILE 61 H ILE 61 16.723 17.775 17.215 1004 HA ILE 61 HA ILE 61 18.981 16.069 18.144 1005 HB ILE 61 HB ILE 61 20.600 17.571 17.155 1006 HG12 ILE 61 HG12 ILE 61 19.487 19.109 15.212 1007 HG13 ILE 61 HG13 ILE 61 18.221 19.237 16.442 1008 HG21 ILE 61 HG21 ILE 61 19.894 15.611 15.876 1009 HG22 ILE 61 HG22 ILE 61 18.664 16.579 15.042 1010 HG23 ILE 61 HG23 ILE 61 20.387 16.950 14.822 1011 HD11 ILE 61 HD11 ILE 61 21.181 19.875 16.854 1012 HD12 ILE 61 HD12 ILE 61 19.907 21.070 16.525 1013 HD13 ILE 61 HD13 ILE 61 19.870 20.148 18.032 1014 H GLU 62 H GLU 62 20.489 17.222 19.562 1015 HA GLU 62 HA GLU 62 18.949 18.548 21.667 1016 HB2 GLU 62 HB2 GLU 62 21.850 17.626 21.501 1017 HB3 GLU 62 HB3 GLU 62 21.129 18.411 22.899 1018 HG2 GLU 62 HG2 GLU 62 19.273 16.505 22.632 1019 HG3 GLU 62 HG3 GLU 62 20.574 15.669 21.774 1020 H GLU 63 H GLU 63 18.605 20.634 21.782 1021 HA GLU 63 HA GLU 63 20.134 22.604 20.272 1022 HB2 GLU 63 HB2 GLU 63 17.643 22.651 20.577 1023 HB3 GLU 63 HB3 GLU 63 17.910 22.965 22.294 1024 HG2 GLU 63 HG2 GLU 63 19.216 25.053 21.598 1025 HG3 GLU 63 HG3 GLU 63 18.728 24.722 19.941 1026 H GLN 64 H GLN 64 21.779 23.832 21.006 1027 HA GLN 64 HA GLN 64 22.763 23.387 23.740 1028 HB2 GLN 64 HB2 GLN 64 24.085 24.821 21.414 1029 HB3 GLN 64 HB3 GLN 64 24.857 24.316 22.927 1030 HG2 GLN 64 HG2 GLN 64 23.739 22.497 20.753 1031 HG3 GLN 64 HG3 GLN 64 25.426 22.778 21.142 1032 HE21 GLN 64 HE21 GLN 64 22.997 20.508 21.540 1033 HE22 GLN 64 HE22 GLN 64 23.621 19.765 23.009 1034 H ASN 65 H ASN 65 20.647 25.562 22.586 1035 HA ASN 65 HA ASN 65 21.517 27.991 23.882 1036 HB2 ASN 65 HB2 ASN 65 18.823 27.093 22.769 1037 HB3 ASN 65 HB3 ASN 65 19.265 28.724 23.182 1038 HD21 ASN 65 HD21 ASN 65 18.422 27.550 20.547 1039 HD22 ASN 65 HD22 ASN 65 19.738 28.018 19.466 1040 H ARG 66 H ARG 66 20.423 25.125 25.146 1041 HA ARG 66 HA ARG 66 18.516 25.708 27.130 1042 HB2 ARG 66 HB2 ARG 66 19.214 23.597 28.132 1043 HB3 ARG 66 HB3 ARG 66 19.020 23.469 26.388 1044 HG2 ARG 66 HG2 ARG 66 21.507 23.608 26.109 1045 HG3 ARG 66 HG3 ARG 66 21.686 23.737 27.864 1046 HD2 ARG 66 HD2 ARG 66 22.140 21.480 27.213 1047 HD3 ARG 66 HD3 ARG 66 20.627 21.499 28.134 1048 HE ARG 66 HE ARG 66 20.023 21.708 25.343 1049 HH11 ARG 66 HH11 ARG 66 21.581 19.242 27.351 1050 HH12 ARG 66 HH12 ARG 66 20.971 17.986 26.279 1051 HH21 ARG 66 HH21 ARG 66 19.066 19.918 24.325 1052 HH22 ARG 66 HH22 ARG 66 19.712 18.325 24.776 Start of MODEL 18 1 H1 GLY -3 H1 GLY -3 -5.868 0.016 -8.423 2 H2 GLY -3 H2 GLY -3 -5.221 0.327 -6.947 3 H3 GLY -3 H3 GLY -3 -4.351 -0.488 -8.060 4 HA2 GLY -3 HA2 GLY -3 -4.270 1.434 -9.504 5 HA3 GLY -3 HA3 GLY -3 -5.220 2.318 -8.291 6 HA PRO -2 HA PRO -2 -0.484 2.325 -7.426 7 HB2 PRO -2 HB2 PRO -2 0.357 4.665 -8.586 8 HB3 PRO -2 HB3 PRO -2 0.270 3.106 -9.468 9 HG2 PRO -2 HG2 PRO -2 -1.800 5.325 -9.430 10 HG3 PRO -2 HG3 PRO -2 -1.093 4.495 -10.851 11 HD2 PRO -2 HD2 PRO -2 -3.480 3.741 -9.826 12 HD3 PRO -2 HD3 PRO -2 -2.321 2.520 -10.425 13 H GLY -1 H GLY -1 0.442 3.435 -5.735 14 HA2 GLY -1 HA2 GLY -1 -1.298 5.075 -4.052 15 HA3 GLY -1 HA3 GLY -1 0.310 4.487 -3.650 16 H SER 0 H SER 0 -0.831 7.109 -3.210 17 HA SER 0 HA SER 0 0.724 9.011 -4.847 18 HB2 SER 0 HB2 SER 0 -0.297 10.689 -3.378 19 HB3 SER 0 HB3 SER 0 -1.516 9.625 -4.097 20 HG SER 0 HG SER 0 -1.859 9.978 -1.834 21 H MET 1 H MET 1 1.972 10.696 -3.488 22 HA MET 1 HA MET 1 3.246 9.696 -1.039 23 HB2 MET 1 HB2 MET 1 5.516 10.222 -1.774 24 HB3 MET 1 HB3 MET 1 4.841 8.891 -2.691 25 HG2 MET 1 HG2 MET 1 4.555 10.183 -4.643 26 HG3 MET 1 HG3 MET 1 4.704 11.711 -3.785 27 HE1 MET 1 HE1 MET 1 8.428 12.290 -3.229 28 HE2 MET 1 HE2 MET 1 6.794 12.973 -3.257 29 HE3 MET 1 HE3 MET 1 7.214 11.734 -2.057 30 H CYS 2 H CYS 2 4.201 11.328 0.245 31 HA CYS 2 HA CYS 2 2.893 13.942 -0.099 32 HB2 CYS 2 HB2 CYS 2 2.682 12.694 1.968 33 HB3 CYS 2 HB3 CYS 2 4.421 12.738 2.220 34 H MET 3 H MET 3 3.829 15.867 -0.252 35 HA MET 3 HA MET 3 6.664 16.368 0.120 36 HB2 MET 3 HB2 MET 3 7.039 17.424 -2.042 37 HB3 MET 3 HB3 MET 3 6.674 15.710 -2.235 38 HG2 MET 3 HG2 MET 3 4.350 16.280 -2.877 39 HG3 MET 3 HG3 MET 3 4.724 18.005 -2.690 40 HE1 MET 3 HE1 MET 3 3.842 18.544 -5.098 41 HE2 MET 3 HE2 MET 3 4.329 17.646 -6.556 42 HE3 MET 3 HE3 MET 3 3.387 16.827 -5.282 43 H ALA 4 H ALA 4 7.074 18.708 0.238 44 HA ALA 4 HA ALA 4 4.625 20.206 1.128 45 HB1 ALA 4 HB1 ALA 4 5.835 19.212 3.023 46 HB2 ALA 4 HB2 ALA 4 7.344 19.986 2.492 47 HB3 ALA 4 HB3 ALA 4 5.989 20.967 3.069 48 H LYS 5 H LYS 5 5.307 22.556 1.687 49 HA LYS 5 HA LYS 5 7.324 23.639 -0.211 50 HB2 LYS 5 HB2 LYS 5 6.045 25.720 -0.441 51 HB3 LYS 5 HB3 LYS 5 5.242 24.306 -1.132 52 HG2 LYS 5 HG2 LYS 5 3.737 24.161 0.811 53 HG3 LYS 5 HG3 LYS 5 4.529 25.566 1.563 54 HD2 LYS 5 HD2 LYS 5 3.853 26.986 -0.319 55 HD3 LYS 5 HD3 LYS 5 3.126 25.613 -1.159 56 HE2 LYS 5 HE2 LYS 5 2.245 26.645 1.570 57 HE3 LYS 5 HE3 LYS 5 1.503 27.129 0.044 58 HZ1 LYS 5 HZ1 LYS 5 1.577 24.335 1.061 59 HZ2 LYS 5 HZ2 LYS 5 0.264 25.310 1.061 60 HZ3 LYS 5 HZ3 LYS 5 0.900 24.811 -0.348 61 H VAL 6 H VAL 6 8.804 24.963 0.544 62 HA VAL 6 HA VAL 6 8.895 25.484 3.484 63 HB VAL 6 HB VAL 6 11.043 25.472 1.359 64 HG11 VAL 6 HG11 VAL 6 11.637 27.368 2.767 65 HG12 VAL 6 HG12 VAL 6 11.257 26.436 4.238 66 HG13 VAL 6 HG13 VAL 6 12.649 26.002 3.222 67 HG21 VAL 6 HG21 VAL 6 10.325 23.295 2.476 68 HG22 VAL 6 HG22 VAL 6 12.026 23.728 2.698 69 HG23 VAL 6 HG23 VAL 6 10.858 23.990 4.012 70 H VAL 7 H VAL 7 8.970 27.580 4.297 71 HA VAL 7 HA VAL 7 9.101 29.852 2.402 72 HB VAL 7 HB VAL 7 6.730 29.353 2.613 73 HG11 VAL 7 HG11 VAL 7 6.996 29.989 5.589 74 HG12 VAL 7 HG12 VAL 7 5.493 29.703 4.685 75 HG13 VAL 7 HG13 VAL 7 6.657 28.386 4.886 76 HG21 VAL 7 HG21 VAL 7 5.932 31.558 3.103 77 HG22 VAL 7 HG22 VAL 7 7.367 31.953 4.065 78 HG23 VAL 7 HG23 VAL 7 7.505 31.707 2.303 79 H LEU 8 H LEU 8 9.919 31.700 3.137 80 HA LEU 8 HA LEU 8 10.573 32.171 5.957 81 HB2 LEU 8 HB2 LEU 8 12.954 32.330 5.630 82 HB3 LEU 8 HB3 LEU 8 12.417 30.751 5.115 83 HG LEU 8 HG LEU 8 12.328 32.098 2.710 84 HD11 LEU 8 HD11 LEU 8 14.722 33.212 4.244 85 HD12 LEU 8 HD12 LEU 8 14.427 33.385 2.503 86 HD13 LEU 8 HD13 LEU 8 13.334 34.154 3.657 87 HD21 LEU 8 HD21 LEU 8 13.370 29.913 3.097 88 HD22 LEU 8 HD22 LEU 8 14.408 30.979 2.142 89 HD23 LEU 8 HD23 LEU 8 14.768 30.705 3.853 90 H THR 9 H THR 9 11.326 34.391 6.329 91 HA THR 9 HA THR 9 10.790 36.309 4.102 92 HB THR 9 HB THR 9 9.598 36.729 6.861 93 HG1 THR 9 HG1 THR 9 8.597 34.974 5.914 94 HG21 THR 9 HG21 THR 9 9.880 38.781 5.485 95 HG22 THR 9 HG22 THR 9 9.028 37.989 4.140 96 HG23 THR 9 HG23 THR 9 8.171 38.343 5.659 97 H LYS 10 H LYS 10 12.137 37.946 3.985 98 HA LYS 10 HA LYS 10 14.481 38.177 5.698 99 HB2 LYS 10 HB2 LYS 10 13.406 39.993 3.503 100 HB3 LYS 10 HB3 LYS 10 15.025 40.074 4.199 101 HG2 LYS 10 HG2 LYS 10 15.553 37.829 3.323 102 HG3 LYS 10 HG3 LYS 10 13.929 37.686 2.646 103 HD2 LYS 10 HD2 LYS 10 14.404 39.814 1.302 104 HD3 LYS 10 HD3 LYS 10 16.092 39.686 1.855 105 HE2 LYS 10 HE2 LYS 10 16.184 37.365 0.900 106 HE3 LYS 10 HE3 LYS 10 14.525 37.572 0.310 107 HZ1 LYS 10 HZ1 LYS 10 16.830 39.240 -0.519 108 HZ2 LYS 10 HZ2 LYS 10 16.142 38.083 -1.434 109 HZ3 LYS 10 HZ3 LYS 10 15.298 39.429 -1.051 110 H ALA 11 H ALA 11 15.225 40.163 6.685 111 HA ALA 11 HA ALA 11 13.365 41.477 8.462 112 HB1 ALA 11 HB1 ALA 11 15.762 41.141 8.990 113 HB2 ALA 11 HB2 ALA 11 16.217 42.190 7.627 114 HB3 ALA 11 HB3 ALA 11 15.334 42.857 9.021 115 H ASP 12 H ASP 12 14.529 42.217 5.214 116 HA ASP 12 HA ASP 12 13.489 44.916 5.033 117 HB2 ASP 12 HB2 ASP 12 14.301 42.865 2.935 118 HB3 ASP 12 HB3 ASP 12 13.985 44.565 2.634 119 H GLY 13 H GLY 13 11.839 41.989 5.264 120 HA2 GLY 13 HA2 GLY 13 9.551 41.623 5.156 121 HA3 GLY 13 HA3 GLY 13 9.322 43.110 4.250 122 H GLY 14 H GLY 14 11.792 41.243 2.809 123 HA2 GLY 14 HA2 GLY 14 10.126 40.535 0.496 124 HA3 GLY 14 HA3 GLY 14 11.860 40.275 0.697 125 H ARG 15 H ARG 15 9.066 38.628 0.280 126 HA ARG 15 HA ARG 15 9.723 36.348 2.090 127 HB2 ARG 15 HB2 ARG 15 7.448 37.217 2.082 128 HB3 ARG 15 HB3 ARG 15 7.269 36.862 0.368 129 HG2 ARG 15 HG2 ARG 15 7.232 34.535 0.700 130 HG3 ARG 15 HG3 ARG 15 8.036 34.627 2.266 131 HD2 ARG 15 HD2 ARG 15 5.245 35.724 1.785 132 HD3 ARG 15 HD3 ARG 15 5.577 34.071 2.350 133 HE ARG 15 HE ARG 15 7.038 35.610 4.098 134 HH11 ARG 15 HH11 ARG 15 3.607 35.684 3.330 135 HH12 ARG 15 HH12 ARG 15 3.202 36.302 4.915 136 HH21 ARG 15 HH21 ARG 15 6.493 36.348 5.983 137 HH22 ARG 15 HH22 ARG 15 4.822 36.674 6.414 138 H VAL 16 H VAL 16 10.291 34.375 1.464 139 HA VAL 16 HA VAL 16 10.719 33.769 -1.437 140 HB VAL 16 HB VAL 16 12.713 33.362 0.821 141 HG11 VAL 16 HG11 VAL 16 12.863 32.429 -2.078 142 HG12 VAL 16 HG12 VAL 16 14.208 32.389 -0.915 143 HG13 VAL 16 HG13 VAL 16 12.785 31.387 -0.638 144 HG21 VAL 16 HG21 VAL 16 14.213 34.735 -0.573 145 HG22 VAL 16 HG22 VAL 16 12.889 34.997 -1.737 146 HG23 VAL 16 HG23 VAL 16 12.782 35.634 -0.077 147 H GLU 17 H GLU 17 10.124 31.745 -2.016 148 HA GLU 17 HA GLU 17 9.622 29.696 0.025 149 HB2 GLU 17 HB2 GLU 17 7.347 29.244 -0.687 150 HB3 GLU 17 HB3 GLU 17 7.523 30.866 -0.058 151 HG2 GLU 17 HG2 GLU 17 6.087 31.100 -1.877 152 HG3 GLU 17 HG3 GLU 17 7.618 31.747 -2.428 153 H ILE 18 H ILE 18 9.405 27.578 -0.739 154 HA ILE 18 HA ILE 18 10.302 27.028 -3.538 155 HB ILE 18 HB ILE 18 11.393 25.698 -1.028 156 HG12 ILE 18 HG12 ILE 18 13.053 27.260 -3.039 157 HG13 ILE 18 HG13 ILE 18 12.333 28.069 -1.651 158 HG21 ILE 18 HG21 ILE 18 12.857 24.430 -2.585 159 HG22 ILE 18 HG22 ILE 18 11.166 24.107 -2.919 160 HG23 ILE 18 HG23 ILE 18 12.064 25.213 -3.973 161 HD11 ILE 18 HD11 ILE 18 14.628 27.398 -1.210 162 HD12 ILE 18 HD12 ILE 18 13.486 26.653 -0.071 163 HD13 ILE 18 HD13 ILE 18 14.208 25.696 -1.387 164 H GLY 19 H GLY 19 8.877 25.687 -4.487 165 HA2 GLY 19 HA2 GLY 19 6.911 24.149 -2.885 166 HA3 GLY 19 HA3 GLY 19 6.852 24.444 -4.616 167 H ASP 20 H ASP 20 6.325 21.960 -3.712 168 HA ASP 20 HA ASP 20 6.788 19.770 -3.919 169 HB2 ASP 20 HB2 ASP 20 8.626 20.626 -6.162 170 HB3 ASP 20 HB3 ASP 20 7.793 19.088 -5.993 171 H VAL 21 H VAL 21 8.254 20.844 -1.866 172 HA VAL 21 HA VAL 21 11.016 19.975 -1.843 173 HB VAL 21 HB VAL 21 9.197 20.889 0.401 174 HG11 VAL 21 HG11 VAL 21 12.183 20.328 0.406 175 HG12 VAL 21 HG12 VAL 21 11.312 21.228 1.659 176 HG13 VAL 21 HG13 VAL 21 10.938 19.529 1.388 177 HG21 VAL 21 HG21 VAL 21 10.548 22.963 0.211 178 HG22 VAL 21 HG22 VAL 21 11.423 22.274 -1.171 179 HG23 VAL 21 HG23 VAL 21 9.689 22.624 -1.284 180 H LEU 22 H LEU 22 11.857 18.078 -1.397 181 HA LEU 22 HA LEU 22 10.109 15.851 -0.505 182 HB2 LEU 22 HB2 LEU 22 11.357 15.811 -2.669 183 HB3 LEU 22 HB3 LEU 22 12.875 15.764 -1.786 184 HG LEU 22 HG LEU 22 10.704 13.694 -1.305 185 HD11 LEU 22 HD11 LEU 22 10.975 13.703 -3.690 186 HD12 LEU 22 HD12 LEU 22 12.757 13.615 -3.533 187 HD13 LEU 22 HD13 LEU 22 11.732 12.254 -3.022 188 HD21 LEU 22 HD21 LEU 22 12.666 12.199 -0.866 189 HD22 LEU 22 HD22 LEU 22 13.764 13.564 -1.158 190 HD23 LEU 22 HD23 LEU 22 12.664 13.568 0.232 191 H GLU 23 H GLU 23 13.089 17.608 0.391 192 HA GLU 23 HA GLU 23 12.764 16.678 3.148 193 HB2 GLU 23 HB2 GLU 23 15.019 15.826 3.418 194 HB3 GLU 23 HB3 GLU 23 14.135 14.884 2.212 195 HG2 GLU 23 HG2 GLU 23 15.342 16.007 0.400 196 HG3 GLU 23 HG3 GLU 23 16.141 17.078 1.550 197 H VAL 24 H VAL 24 14.007 17.778 4.701 198 HA VAL 24 HA VAL 24 15.354 20.313 3.939 199 HB VAL 24 HB VAL 24 13.138 20.199 6.025 200 HG11 VAL 24 HG11 VAL 24 14.835 21.884 6.580 201 HG12 VAL 24 HG12 VAL 24 14.747 22.541 4.934 202 HG13 VAL 24 HG13 VAL 24 13.359 22.673 6.033 203 HG21 VAL 24 HG21 VAL 24 11.891 21.727 4.486 204 HG22 VAL 24 HG22 VAL 24 13.114 21.427 3.239 205 HG23 VAL 24 HG23 VAL 24 12.082 20.104 3.836 206 H ARG 25 H ARG 25 16.984 20.887 5.306 207 HA ARG 25 HA ARG 25 17.529 19.240 7.766 208 HB2 ARG 25 HB2 ARG 25 19.397 19.997 5.478 209 HB3 ARG 25 HB3 ARG 25 19.969 19.496 7.074 210 HG2 ARG 25 HG2 ARG 25 19.011 17.297 6.847 211 HG3 ARG 25 HG3 ARG 25 18.174 17.735 5.347 212 HD2 ARG 25 HD2 ARG 25 20.221 16.420 4.915 213 HD3 ARG 25 HD3 ARG 25 20.263 18.017 4.166 214 HE ARG 25 HE ARG 25 21.770 18.806 5.921 215 HH11 ARG 25 HH11 ARG 25 21.725 15.325 5.565 216 HH12 ARG 25 HH12 ARG 25 23.203 15.155 6.482 217 HH21 ARG 25 HH21 ARG 25 23.553 18.543 7.076 218 HH22 ARG 25 HH22 ARG 25 24.210 16.939 7.319 219 H ALA 26 H ALA 26 18.181 20.331 9.511 220 HA ALA 26 HA ALA 26 19.029 23.182 9.303 221 HB1 ALA 26 HB1 ALA 26 17.315 22.675 11.005 222 HB2 ALA 26 HB2 ALA 26 18.406 21.478 11.747 223 HB3 ALA 26 HB3 ALA 26 18.843 23.190 11.746 224 H GLU 27 H GLU 27 21.116 23.551 9.130 225 HA GLU 27 HA GLU 27 23.218 21.568 9.923 226 HB2 GLU 27 HB2 GLU 27 23.503 24.149 8.353 227 HB3 GLU 27 HB3 GLU 27 24.700 22.882 8.536 228 HG2 GLU 27 HG2 GLU 27 22.111 22.730 6.951 229 HG3 GLU 27 HG3 GLU 27 23.735 22.880 6.304 230 H GLY 28 H GLY 28 25.298 22.886 10.675 231 HA2 GLY 28 HA2 GLY 28 24.765 24.351 13.125 232 HA3 GLY 28 HA3 GLY 28 26.331 24.144 12.331 233 H GLY 29 H GLY 29 23.384 26.018 12.429 234 HA2 GLY 29 HA2 GLY 29 23.174 28.337 12.378 235 HA3 GLY 29 HA3 GLY 29 24.797 28.505 11.710 236 H ALA 30 H ALA 30 22.494 26.347 10.098 237 HA ALA 30 HA ALA 30 21.478 28.365 8.256 238 HB1 ALA 30 HB1 ALA 30 23.799 27.950 7.376 239 HB2 ALA 30 HB2 ALA 30 23.405 26.219 7.234 240 HB3 ALA 30 HB3 ALA 30 22.542 27.426 6.242 241 H VAL 31 H VAL 31 20.045 27.439 6.605 242 HA VAL 31 HA VAL 31 19.081 24.653 7.174 243 HB VAL 31 HB VAL 31 17.437 27.051 6.346 244 HG11 VAL 31 HG11 VAL 31 16.619 24.111 6.287 245 HG12 VAL 31 HG12 VAL 31 15.494 25.464 6.232 246 HG13 VAL 31 HG13 VAL 31 16.635 25.247 4.916 247 HG21 VAL 31 HG21 VAL 31 16.138 26.507 8.319 248 HG22 VAL 31 HG22 VAL 31 17.095 25.027 8.597 249 HG23 VAL 31 HG23 VAL 31 17.843 26.612 8.777 250 H ARG 32 H ARG 32 18.787 23.289 5.506 251 HA ARG 32 HA ARG 32 19.314 24.213 2.710 252 HB2 ARG 32 HB2 ARG 32 20.432 21.778 4.137 253 HB3 ARG 32 HB3 ARG 32 20.261 21.842 2.376 254 HG2 ARG 32 HG2 ARG 32 21.714 23.761 2.197 255 HG3 ARG 32 HG3 ARG 32 21.766 23.972 3.953 256 HD2 ARG 32 HD2 ARG 32 23.831 22.969 3.138 257 HD3 ARG 32 HD3 ARG 32 22.967 21.896 4.235 258 HE ARG 32 HE ARG 32 22.848 21.579 1.233 259 HH11 ARG 32 HH11 ARG 32 23.159 19.745 0.400 260 HH12 ARG 32 HH12 ARG 32 23.520 18.294 1.343 261 HH21 ARG 32 HH21 ARG 32 23.230 19.956 4.368 262 HH22 ARG 32 HH22 ARG 32 23.618 18.453 3.554 263 H VAL 33 H VAL 33 18.113 23.308 1.140 264 HA VAL 33 HA VAL 33 15.729 21.640 1.872 265 HB VAL 33 HB VAL 33 15.743 24.181 0.189 266 HG11 VAL 33 HG11 VAL 33 13.255 23.926 0.267 267 HG12 VAL 33 HG12 VAL 33 14.040 22.628 -0.626 268 HG13 VAL 33 HG13 VAL 33 13.464 22.346 1.035 269 HG21 VAL 33 HG21 VAL 33 15.931 24.784 2.560 270 HG22 VAL 33 HG22 VAL 33 14.344 25.181 1.926 271 HG23 VAL 33 HG23 VAL 33 14.543 23.736 2.945 272 H THR 34 H THR 34 15.222 20.082 0.353 273 HA THR 34 HA THR 34 16.436 20.300 -2.370 274 HB THR 34 HB THR 34 16.385 17.784 -0.695 275 HG1 THR 34 HG1 THR 34 18.039 19.228 -0.149 276 HG21 THR 34 HG21 THR 34 17.350 18.286 -3.542 277 HG22 THR 34 HG22 THR 34 17.755 16.844 -2.583 278 HG23 THR 34 HG23 THR 34 16.073 17.162 -3.016 279 H THR 35 H THR 35 15.032 20.105 -3.979 280 HA THR 35 HA THR 35 12.227 19.472 -3.447 281 HB THR 35 HB THR 35 11.764 20.089 -5.679 282 HG1 THR 35 HG1 THR 35 13.401 20.562 -7.135 283 HG21 THR 35 HG21 THR 35 13.947 21.967 -4.702 284 HG22 THR 35 HG22 THR 35 12.609 22.349 -5.806 285 HG23 THR 35 HG23 THR 35 12.273 21.955 -4.118 286 H LEU 36 H LEU 36 10.983 18.024 -4.851 287 HA LEU 36 HA LEU 36 11.868 15.333 -4.958 288 HB2 LEU 36 HB2 LEU 36 9.552 16.241 -4.876 289 HB3 LEU 36 HB3 LEU 36 9.670 16.743 -6.551 290 HG LEU 36 HG LEU 36 10.124 13.828 -5.829 291 HD11 LEU 36 HD11 LEU 36 7.409 15.136 -6.235 292 HD12 LEU 36 HD12 LEU 36 7.723 13.402 -5.996 293 HD13 LEU 36 HD13 LEU 36 8.030 14.547 -4.685 294 HD21 LEU 36 HD21 LEU 36 8.779 15.171 -8.215 295 HD22 LEU 36 HD22 LEU 36 10.432 14.523 -8.205 296 HD23 LEU 36 HD23 LEU 36 9.052 13.433 -8.014 297 H PHE 37 H PHE 37 12.213 17.926 -7.282 298 HA PHE 37 HA PHE 37 13.311 16.224 -9.399 299 HB2 PHE 37 HB2 PHE 37 13.099 19.236 -9.313 300 HB3 PHE 37 HB3 PHE 37 13.289 18.230 -10.738 301 HD1 PHE 37 HD1 PHE 37 11.330 16.196 -10.744 302 HD2 PHE 37 HD2 PHE 37 10.955 20.186 -9.127 303 HE1 PHE 37 HE1 PHE 37 8.866 16.060 -10.964 304 HE2 PHE 37 HE2 PHE 37 8.498 20.036 -9.354 305 HZ PHE 37 HZ PHE 37 7.434 17.973 -10.256 306 H ASP 38 H ASP 38 14.686 16.926 -6.644 307 HA ASP 38 HA ASP 38 16.740 17.018 -5.820 308 HB2 ASP 38 HB2 ASP 38 17.835 16.364 -8.553 309 HB3 ASP 38 HB3 ASP 38 18.619 16.139 -6.998 310 H GLU 39 H GLU 39 15.601 19.570 -7.021 311 HA GLU 39 HA GLU 39 18.040 21.196 -7.500 312 HB2 GLU 39 HB2 GLU 39 15.169 22.046 -6.949 313 HB3 GLU 39 HB3 GLU 39 16.491 23.118 -7.345 314 HG2 GLU 39 HG2 GLU 39 15.356 20.954 -9.166 315 HG3 GLU 39 HG3 GLU 39 15.013 22.678 -9.269 316 H GLU 40 H GLU 40 19.262 22.074 -5.956 317 HA GLU 40 HA GLU 40 18.425 21.818 -3.112 318 HB2 GLU 40 HB2 GLU 40 20.433 20.604 -3.732 319 HB3 GLU 40 HB3 GLU 40 21.176 22.106 -4.326 320 HG2 GLU 40 HG2 GLU 40 21.206 23.051 -2.082 321 HG3 GLU 40 HG3 GLU 40 20.269 21.695 -1.447 322 H HIS 41 H HIS 41 18.362 23.495 -1.744 323 HA HIS 41 HA HIS 41 19.336 26.195 -2.570 324 HB2 HIS 41 HB2 HIS 41 16.675 25.683 -1.187 325 HB3 HIS 41 HB3 HIS 41 17.334 27.232 -1.675 326 HD2 HIS 41 HD2 HIS 41 15.581 24.106 -3.073 327 HE1 HIS 41 HE1 HIS 41 15.642 26.969 -6.243 328 HE2 HIS 41 HE2 HIS 41 14.725 24.711 -5.499 329 H ALA 42 H ALA 42 20.024 27.503 -0.812 330 HA ALA 42 HA ALA 42 20.111 26.297 1.888 331 HB1 ALA 42 HB1 ALA 42 22.578 27.233 0.377 332 HB2 ALA 42 HB2 ALA 42 22.527 26.585 2.037 333 HB3 ALA 42 HB3 ALA 42 22.147 25.534 0.664 334 H PHE 43 H PHE 43 20.214 27.686 3.564 335 HA PHE 43 HA PHE 43 20.192 30.625 3.042 336 HB2 PHE 43 HB2 PHE 43 18.093 29.084 4.578 337 HB3 PHE 43 HB3 PHE 43 18.166 30.828 4.363 338 HD1 PHE 43 HD1 PHE 43 17.172 27.646 2.907 339 HD2 PHE 43 HD2 PHE 43 17.854 31.818 2.029 340 HE1 PHE 43 HE1 PHE 43 15.973 27.395 0.762 341 HE2 PHE 43 HE2 PHE 43 16.638 31.569 -0.117 342 HZ PHE 43 HZ PHE 43 15.694 29.358 -0.759 343 HA PRO 44 HA PRO 44 22.717 29.985 6.799 344 HB2 PRO 44 HB2 PRO 44 24.134 32.316 6.751 345 HB3 PRO 44 HB3 PRO 44 24.514 30.917 5.695 346 HG2 PRO 44 HG2 PRO 44 22.896 33.375 4.995 347 HG3 PRO 44 HG3 PRO 44 24.226 32.621 4.055 348 HD2 PRO 44 HD2 PRO 44 21.600 32.126 3.522 349 HD3 PRO 44 HD3 PRO 44 22.838 30.850 3.332 350 H GLY 45 H GLY 45 22.475 30.703 8.873 351 HA2 GLY 45 HA2 GLY 45 21.848 32.003 10.672 352 HA3 GLY 45 HA3 GLY 45 21.204 33.239 9.591 353 H LEU 46 H LEU 46 19.857 30.227 8.771 354 HA LEU 46 HA LEU 46 17.405 30.747 10.400 355 HB2 LEU 46 HB2 LEU 46 17.700 29.270 7.760 356 HB3 LEU 46 HB3 LEU 46 16.200 29.518 8.646 357 HG LEU 46 HG LEU 46 17.864 31.647 7.267 358 HD11 LEU 46 HD11 LEU 46 15.924 31.892 5.846 359 HD12 LEU 46 HD12 LEU 46 16.343 30.174 5.885 360 HD13 LEU 46 HD13 LEU 46 14.976 30.764 6.847 361 HD21 LEU 46 HD21 LEU 46 16.025 33.229 7.892 362 HD22 LEU 46 HD22 LEU 46 15.348 31.990 8.979 363 HD23 LEU 46 HD23 LEU 46 16.952 32.694 9.288 364 H ALA 47 H ALA 47 16.135 28.962 10.998 365 HA ALA 47 HA ALA 47 17.328 26.261 11.131 366 HB1 ALA 47 HB1 ALA 47 17.854 27.304 13.312 367 HB2 ALA 47 HB2 ALA 47 16.138 27.728 13.529 368 HB3 ALA 47 HB3 ALA 47 16.645 26.019 13.494 369 H ILE 48 H ILE 48 15.616 24.611 11.522 370 HA ILE 48 HA ILE 48 13.150 25.201 10.079 371 HB ILE 48 HB ILE 48 13.915 22.705 11.630 372 HG12 ILE 48 HG12 ILE 48 14.062 23.175 8.607 373 HG13 ILE 48 HG13 ILE 48 15.454 23.267 9.674 374 HG21 ILE 48 HG21 ILE 48 12.096 21.644 10.267 375 HG22 ILE 48 HG22 ILE 48 11.468 22.903 11.307 376 HG23 ILE 48 HG23 ILE 48 11.703 23.213 9.575 377 HD11 ILE 48 HD11 ILE 48 13.786 20.795 9.113 378 HD12 ILE 48 HD12 ILE 48 15.470 21.090 8.690 379 HD13 ILE 48 HD13 ILE 48 15.030 20.888 10.386 380 H GLY 49 H GLY 49 11.363 26.051 10.920 381 HA2 GLY 49 HA2 GLY 49 11.163 26.520 13.832 382 HA3 GLY 49 HA3 GLY 49 10.262 27.319 12.550 383 H ARG 50 H ARG 50 8.679 25.890 11.340 384 HA ARG 50 HA ARG 50 7.339 23.902 13.127 385 HB2 ARG 50 HB2 ARG 50 5.922 26.345 11.989 386 HB3 ARG 50 HB3 ARG 50 5.182 25.018 12.898 387 HG2 ARG 50 HG2 ARG 50 6.735 25.607 14.842 388 HG3 ARG 50 HG3 ARG 50 7.208 27.049 13.930 389 HD2 ARG 50 HD2 ARG 50 4.877 27.828 13.943 390 HD3 ARG 50 HD3 ARG 50 4.362 26.368 14.787 391 HE ARG 50 HE ARG 50 5.566 27.066 16.778 392 HH11 ARG 50 HH11 ARG 50 5.592 29.645 14.399 393 HH12 ARG 50 HH12 ARG 50 6.000 30.827 15.607 394 HH21 ARG 50 HH21 ARG 50 6.040 28.522 18.178 395 HH22 ARG 50 HH22 ARG 50 6.257 30.222 17.730 396 H VAL 51 H VAL 51 6.092 22.405 12.197 397 HA VAL 51 HA VAL 51 6.260 22.094 9.224 398 HB VAL 51 HB VAL 51 7.042 20.100 11.392 399 HG11 VAL 51 HG11 VAL 51 6.031 18.891 9.529 400 HG12 VAL 51 HG12 VAL 51 7.032 19.781 8.362 401 HG13 VAL 51 HG13 VAL 51 7.775 18.648 9.517 402 HG21 VAL 51 HG21 VAL 51 9.297 20.219 10.464 403 HG22 VAL 51 HG22 VAL 51 8.787 21.471 9.307 404 HG23 VAL 51 HG23 VAL 51 8.806 21.807 11.048 405 H ASP 52 H ASP 52 4.236 21.936 8.517 406 HA ASP 52 HA ASP 52 2.183 20.384 10.077 407 HB2 ASP 52 HB2 ASP 52 1.821 22.457 7.880 408 HB3 ASP 52 HB3 ASP 52 0.534 21.574 8.701 409 H LEU 53 H LEU 53 2.105 18.303 9.358 410 HA LEU 53 HA LEU 53 3.192 17.567 6.754 411 HB2 LEU 53 HB2 LEU 53 1.711 15.899 8.845 412 HB3 LEU 53 HB3 LEU 53 2.432 15.283 7.375 413 HG LEU 53 HG LEU 53 3.877 14.702 9.056 414 HD11 LEU 53 HD11 LEU 53 5.984 15.722 8.447 415 HD12 LEU 53 HD12 LEU 53 4.972 15.602 7.001 416 HD13 LEU 53 HD13 LEU 53 5.161 17.163 7.827 417 HD21 LEU 53 HD21 LEU 53 3.141 16.222 10.816 418 HD22 LEU 53 HD22 LEU 53 4.894 16.123 10.707 419 HD23 LEU 53 HD23 LEU 53 4.068 17.550 10.063 420 H ARG 54 H ARG 54 -0.097 17.399 8.163 421 HA ARG 54 HA ARG 54 -1.337 16.517 5.749 422 HB2 ARG 54 HB2 ARG 54 -3.426 16.780 6.907 423 HB3 ARG 54 HB3 ARG 54 -2.213 16.064 7.942 424 HG2 ARG 54 HG2 ARG 54 -3.160 17.501 9.442 425 HG3 ARG 54 HG3 ARG 54 -1.863 18.518 8.870 426 HD2 ARG 54 HD2 ARG 54 -3.861 19.832 8.998 427 HD3 ARG 54 HD3 ARG 54 -3.519 19.605 7.283 428 HE ARG 54 HE ARG 54 -5.261 17.511 8.130 429 HH11 ARG 54 HH11 ARG 54 -5.467 20.983 7.734 430 HH12 ARG 54 HH12 ARG 54 -7.190 20.939 7.462 431 HH21 ARG 54 HH21 ARG 54 -7.454 17.532 7.757 432 HH22 ARG 54 HH22 ARG 54 -8.272 19.039 7.462 433 H SER 55 H SER 55 -0.545 19.745 6.740 434 HA SER 55 HA SER 55 -2.070 20.984 4.518 435 HB2 SER 55 HB2 SER 55 -0.169 22.244 6.521 436 HB3 SER 55 HB3 SER 55 -1.241 23.093 5.399 437 HG SER 55 HG SER 55 -3.011 22.376 6.510 438 H GLY 56 H GLY 56 1.098 19.682 5.034 439 HA2 GLY 56 HA2 GLY 56 2.945 19.515 3.702 440 HA3 GLY 56 HA3 GLY 56 2.010 20.156 2.350 441 H VAL 57 H VAL 57 3.018 21.659 5.491 442 HA VAL 57 HA VAL 57 4.479 23.786 3.947 443 HB VAL 57 HB VAL 57 2.484 24.277 6.179 444 HG11 VAL 57 HG11 VAL 57 4.324 25.879 6.423 445 HG12 VAL 57 HG12 VAL 57 4.286 26.233 4.671 446 HG13 VAL 57 HG13 VAL 57 2.935 26.695 5.738 447 HG21 VAL 57 HG21 VAL 57 1.389 23.913 4.004 448 HG22 VAL 57 HG22 VAL 57 1.296 25.620 4.450 449 HG23 VAL 57 HG23 VAL 57 2.482 25.088 3.244 450 H ILE 58 H ILE 58 6.355 24.411 4.702 451 HA ILE 58 HA ILE 58 7.172 23.752 7.508 452 HB ILE 58 HB ILE 58 8.816 23.480 4.979 453 HG12 ILE 58 HG12 ILE 58 8.024 21.419 7.081 454 HG13 ILE 58 HG13 ILE 58 7.258 21.587 5.509 455 HG21 ILE 58 HG21 ILE 58 10.211 24.477 6.757 456 HG22 ILE 58 HG22 ILE 58 9.661 23.232 7.905 457 HG23 ILE 58 HG23 ILE 58 10.682 22.805 6.514 458 HD11 ILE 58 HD11 ILE 58 9.405 21.065 4.376 459 HD12 ILE 58 HD12 ILE 58 10.124 20.720 5.981 460 HD13 ILE 58 HD13 ILE 58 8.782 19.758 5.394 461 H SER 59 H SER 59 7.336 25.583 8.574 462 HA SER 59 HA SER 59 8.116 28.130 7.213 463 HB2 SER 59 HB2 SER 59 6.916 27.637 9.970 464 HB3 SER 59 HB3 SER 59 7.323 29.215 9.277 465 HG SER 59 HG SER 59 5.104 28.671 8.973 466 H LEU 60 H LEU 60 10.131 28.888 7.433 467 HA LEU 60 HA LEU 60 11.970 27.749 9.469 468 HB2 LEU 60 HB2 LEU 60 12.578 29.721 7.248 469 HB3 LEU 60 HB3 LEU 60 13.729 28.849 8.261 470 HG LEU 60 HG LEU 60 11.896 27.673 6.121 471 HD11 LEU 60 HD11 LEU 60 14.035 27.095 5.036 472 HD12 LEU 60 HD12 LEU 60 13.888 28.845 5.294 473 HD13 LEU 60 HD13 LEU 60 14.927 27.886 6.367 474 HD21 LEU 60 HD21 LEU 60 13.044 25.508 6.554 475 HD22 LEU 60 HD22 LEU 60 13.819 26.208 7.989 476 HD23 LEU 60 HD23 LEU 60 12.051 26.011 7.923 477 H ILE 61 H ILE 61 13.278 29.068 10.793 478 HA ILE 61 HA ILE 61 12.309 31.807 11.448 479 HB ILE 61 HB ILE 61 12.408 31.349 13.834 480 HG12 ILE 61 HG12 ILE 61 12.165 28.593 14.191 481 HG13 ILE 61 HG13 ILE 61 13.457 28.699 12.995 482 HG21 ILE 61 HG21 ILE 61 10.321 30.121 14.060 483 HG22 ILE 61 HG22 ILE 61 10.265 31.239 12.685 484 HG23 ILE 61 HG23 ILE 61 10.476 29.500 12.405 485 HD11 ILE 61 HD11 ILE 61 14.761 30.102 14.464 486 HD12 ILE 61 HD12 ILE 61 13.433 30.172 15.651 487 HD13 ILE 61 HD13 ILE 61 14.265 28.638 15.333 488 H GLU 62 H GLU 62 13.846 32.995 12.846 489 HA GLU 62 HA GLU 62 16.551 32.826 11.776 490 HB2 GLU 62 HB2 GLU 62 15.283 34.569 13.911 491 HB3 GLU 62 HB3 GLU 62 16.971 34.698 13.415 492 HG2 GLU 62 HG2 GLU 62 16.259 35.181 11.084 493 HG3 GLU 62 HG3 GLU 62 14.564 35.007 11.548 494 H GLU 63 H GLU 63 18.180 31.632 12.514 495 HA GLU 63 HA GLU 63 18.026 29.935 14.796 496 HB2 GLU 63 HB2 GLU 63 19.398 29.461 12.851 497 HB3 GLU 63 HB3 GLU 63 20.447 30.830 13.179 498 HG2 GLU 63 HG2 GLU 63 20.053 28.646 15.246 499 HG3 GLU 63 HG3 GLU 63 21.126 28.386 13.874 500 H GLN 64 H GLN 64 18.481 30.197 16.866 501 HA GLN 64 HA GLN 64 19.711 32.691 17.889 502 HB2 GLN 64 HB2 GLN 64 17.705 33.234 19.161 503 HB3 GLN 64 HB3 GLN 64 17.400 33.172 17.429 504 HG2 GLN 64 HG2 GLN 64 16.461 30.810 17.785 505 HG3 GLN 64 HG3 GLN 64 16.546 31.115 19.516 506 HE21 GLN 64 HE21 GLN 64 15.254 32.500 16.428 507 HE22 GLN 64 HE22 GLN 64 13.823 33.220 17.174 508 H ASN 65 H ASN 65 20.661 29.969 17.987 509 HA ASN 65 HA ASN 65 20.441 29.114 20.820 510 HB2 ASN 65 HB2 ASN 65 20.536 27.491 18.999 511 HB3 ASN 65 HB3 ASN 65 22.091 28.140 18.441 512 HD21 ASN 65 HD21 ASN 65 20.513 26.666 21.324 513 HD22 ASN 65 HD22 ASN 65 21.943 25.724 21.765 514 H ARG 66 H ARG 66 22.173 31.489 19.198 515 HA ARG 66 HA ARG 66 24.800 31.441 20.242 516 HB2 ARG 66 HB2 ARG 66 23.127 33.900 19.560 517 HB3 ARG 66 HB3 ARG 66 24.884 33.802 19.601 518 HG2 ARG 66 HG2 ARG 66 23.057 32.357 17.627 519 HG3 ARG 66 HG3 ARG 66 23.991 33.811 17.301 520 HD2 ARG 66 HD2 ARG 66 26.079 32.663 17.474 521 HD3 ARG 66 HD3 ARG 66 25.322 31.207 18.152 522 HE ARG 66 HE ARG 66 24.026 31.428 15.758 523 HH11 ARG 66 HH11 ARG 66 27.433 31.078 16.588 524 HH12 ARG 66 HH12 ARG 66 27.707 30.091 15.170 525 HH21 ARG 66 HH21 ARG 66 24.455 30.275 14.133 526 HH22 ARG 66 HH22 ARG 66 25.983 29.417 13.986 527 H1 GLY -3 H1 GLY -3 -4.825 -2.233 4.067 528 H2 GLY -3 H2 GLY -3 -4.959 -0.697 4.634 529 H3 GLY -3 H3 GLY -3 -3.642 -1.142 3.770 530 HA2 GLY -3 HA2 GLY -3 -4.964 -1.481 1.794 531 HA3 GLY -3 HA3 GLY -3 -6.392 -1.004 2.728 532 HA PRO -2 HA PRO -2 -5.046 2.812 0.565 533 HB2 PRO -2 HB2 PRO -2 -7.936 3.431 1.137 534 HB3 PRO -2 HB3 PRO -2 -6.997 3.737 -0.353 535 HG2 PRO -2 HG2 PRO -2 -8.707 1.658 -0.258 536 HG3 PRO -2 HG3 PRO -2 -7.079 1.422 -0.969 537 HD2 PRO -2 HD2 PRO -2 -8.020 0.750 1.838 538 HD3 PRO -2 HD3 PRO -2 -7.106 -0.270 0.679 539 H GLY -1 H GLY -1 -5.158 5.144 1.143 540 HA2 GLY -1 HA2 GLY -1 -5.737 5.839 3.966 541 HA3 GLY -1 HA3 GLY -1 -4.062 5.989 3.431 542 H SER 0 H SER 0 -4.875 8.198 4.309 543 HA SER 0 HA SER 0 -5.334 10.035 2.050 544 HB2 SER 0 HB2 SER 0 -7.241 11.150 3.091 545 HB3 SER 0 HB3 SER 0 -7.638 9.467 2.744 546 HG SER 0 HG SER 0 -7.407 8.958 4.914 547 H MET 1 H MET 1 -5.332 12.352 2.884 548 HA MET 1 HA MET 1 -4.100 14.080 3.689 549 HB2 MET 1 HB2 MET 1 -3.863 12.552 6.270 550 HB3 MET 1 HB3 MET 1 -3.779 14.300 6.023 551 HG2 MET 1 HG2 MET 1 -6.188 14.144 5.135 552 HG3 MET 1 HG3 MET 1 -6.213 12.524 5.842 553 HE1 MET 1 HE1 MET 1 -4.254 13.177 8.449 554 HE2 MET 1 HE2 MET 1 -5.547 13.354 9.661 555 HE3 MET 1 HE3 MET 1 -5.647 12.084 8.420 556 H CYS 2 H CYS 2 -1.932 14.280 5.422 557 HA CYS 2 HA CYS 2 0.108 12.310 4.661 558 HB2 CYS 2 HB2 CYS 2 0.604 13.991 3.072 559 HB3 CYS 2 HB3 CYS 2 0.402 15.287 4.245 560 H MET 3 H MET 3 1.632 11.963 6.219 561 HA MET 3 HA MET 3 1.502 13.323 8.824 562 HB2 MET 3 HB2 MET 3 1.069 11.184 10.036 563 HB3 MET 3 HB3 MET 3 -0.296 11.795 9.112 564 HG2 MET 3 HG2 MET 3 -0.190 9.409 8.911 565 HG3 MET 3 HG3 MET 3 0.064 10.151 7.351 566 HE1 MET 3 HE1 MET 3 2.574 9.422 10.378 567 HE2 MET 3 HE2 MET 3 1.622 7.926 10.234 568 HE3 MET 3 HE3 MET 3 3.340 7.931 9.794 569 H ALA 4 H ALA 4 3.092 12.266 10.355 570 HA ALA 4 HA ALA 4 5.324 10.851 9.024 571 HB1 ALA 4 HB1 ALA 4 5.643 13.487 10.527 572 HB2 ALA 4 HB2 ALA 4 6.985 12.484 9.961 573 HB3 ALA 4 HB3 ALA 4 5.895 13.230 8.782 574 H LYS 5 H LYS 5 7.039 10.273 10.659 575 HA LYS 5 HA LYS 5 5.977 9.906 13.431 576 HB2 LYS 5 HB2 LYS 5 7.620 8.195 13.828 577 HB3 LYS 5 HB3 LYS 5 6.556 7.744 12.492 578 HG2 LYS 5 HG2 LYS 5 8.325 8.277 10.857 579 HG3 LYS 5 HG3 LYS 5 9.371 8.894 12.144 580 HD2 LYS 5 HD2 LYS 5 10.161 6.719 11.595 581 HD3 LYS 5 HD3 LYS 5 9.409 6.647 13.191 582 HE2 LYS 5 HE2 LYS 5 7.263 5.887 11.927 583 HE3 LYS 5 HE3 LYS 5 8.297 5.657 10.523 584 HZ1 LYS 5 HZ1 LYS 5 9.627 4.087 11.887 585 HZ2 LYS 5 HZ2 LYS 5 8.640 4.344 13.178 586 HZ3 LYS 5 HZ3 LYS 5 8.066 3.609 11.837 587 H VAL 6 H VAL 6 7.117 10.712 15.087 588 HA VAL 6 HA VAL 6 9.488 12.457 14.515 589 HB VAL 6 HB VAL 6 7.449 12.514 16.742 590 HG11 VAL 6 HG11 VAL 6 8.861 14.344 17.753 591 HG12 VAL 6 HG12 VAL 6 9.582 12.741 17.925 592 HG13 VAL 6 HG13 VAL 6 10.177 13.877 16.678 593 HG21 VAL 6 HG21 VAL 6 7.228 14.829 16.051 594 HG22 VAL 6 HG22 VAL 6 8.589 14.682 14.920 595 HG23 VAL 6 HG23 VAL 6 7.080 13.804 14.609 596 H VAL 7 H VAL 7 11.426 11.938 15.355 597 HA VAL 7 HA VAL 7 11.603 9.819 17.428 598 HB VAL 7 HB VAL 7 11.957 8.714 15.305 599 HG11 VAL 7 HG11 VAL 7 14.359 10.556 14.888 600 HG12 VAL 7 HG12 VAL 7 13.914 9.152 13.907 601 HG13 VAL 7 HG13 VAL 7 12.855 10.563 13.938 602 HG21 VAL 7 HG21 VAL 7 13.186 7.921 17.291 603 HG22 VAL 7 HG22 VAL 7 14.066 7.625 15.778 604 HG23 VAL 7 HG23 VAL 7 14.577 8.938 16.838 605 H LEU 8 H LEU 8 13.167 9.988 18.904 606 HA LEU 8 HA LEU 8 15.312 11.988 18.713 607 HB2 LEU 8 HB2 LEU 8 14.725 13.184 20.707 608 HB3 LEU 8 HB3 LEU 8 13.339 13.198 19.641 609 HG LEU 8 HG LEU 8 12.668 11.027 21.126 610 HD11 LEU 8 HD11 LEU 8 14.182 12.868 23.044 611 HD12 LEU 8 HD12 LEU 8 13.123 11.526 23.522 612 HD13 LEU 8 HD13 LEU 8 14.625 11.190 22.657 613 HD21 LEU 8 HD21 LEU 8 11.225 12.519 22.465 614 HD22 LEU 8 HD22 LEU 8 12.168 13.923 21.911 615 HD23 LEU 8 HD23 LEU 8 11.221 12.960 20.757 616 H THR 9 H THR 9 16.994 11.631 20.301 617 HA THR 9 HA THR 9 16.812 9.149 21.925 618 HB THR 9 HB THR 9 19.149 9.714 20.076 619 HG1 THR 9 HG1 THR 9 17.422 8.894 18.950 620 HG21 THR 9 HG21 THR 9 19.897 7.451 20.766 621 HG22 THR 9 HG22 THR 9 19.886 8.576 22.121 622 HG23 THR 9 HG23 THR 9 18.582 7.375 21.956 623 H LYS 10 H LYS 10 17.505 9.445 23.928 624 HA LYS 10 HA LYS 10 18.498 11.966 24.908 625 HB2 LYS 10 HB2 LYS 10 18.399 9.214 26.218 626 HB3 LYS 10 HB3 LYS 10 18.678 10.729 27.069 627 HG2 LYS 10 HG2 LYS 10 16.434 11.538 26.458 628 HG3 LYS 10 HG3 LYS 10 16.134 10.066 25.526 629 HD2 LYS 10 HD2 LYS 10 16.527 8.730 27.661 630 HD3 LYS 10 HD3 LYS 10 16.584 10.286 28.527 631 HE2 LYS 10 HE2 LYS 10 14.306 10.822 27.603 632 HE3 LYS 10 HE3 LYS 10 14.292 9.226 26.823 633 HZ1 LYS 10 HZ1 LYS 10 13.118 9.191 28.958 634 HZ2 LYS 10 HZ2 LYS 10 14.423 8.217 29.030 635 HZ3 LYS 10 HZ3 LYS 10 14.454 9.680 29.755 636 H ALA 11 H ALA 11 20.459 12.315 26.136 637 HA ALA 11 HA ALA 11 22.944 11.467 24.981 638 HB1 ALA 11 HB1 ALA 11 23.914 12.569 26.966 639 HB2 ALA 11 HB2 ALA 11 22.618 13.556 26.267 640 HB3 ALA 11 HB3 ALA 11 22.317 12.601 27.739 641 H ASP 12 H ASP 12 20.962 10.032 27.526 642 HA ASP 12 HA ASP 12 22.871 8.038 28.414 643 HB2 ASP 12 HB2 ASP 12 19.853 8.315 28.668 644 HB3 ASP 12 HB3 ASP 12 20.809 7.097 29.486 645 H GLY 13 H GLY 13 21.338 8.287 25.424 646 HA2 GLY 13 HA2 GLY 13 21.364 6.805 23.673 647 HA3 GLY 13 HA3 GLY 13 21.741 5.466 24.754 648 H GLY 14 H GLY 14 19.044 7.232 25.924 649 HA2 GLY 14 HA2 GLY 14 17.178 5.058 25.366 650 HA3 GLY 14 HA3 GLY 14 16.866 6.551 26.247 651 H ARG 15 H ARG 15 16.409 4.886 23.313 652 HA ARG 15 HA ARG 15 15.725 7.232 21.661 653 HB2 ARG 15 HB2 ARG 15 16.801 5.199 20.724 654 HB3 ARG 15 HB3 ARG 15 15.357 4.259 21.129 655 HG2 ARG 15 HG2 ARG 15 14.008 5.669 19.589 656 HG3 ARG 15 HG3 ARG 15 15.455 6.640 19.211 657 HD2 ARG 15 HD2 ARG 15 16.585 4.664 18.322 658 HD3 ARG 15 HD3 ARG 15 15.211 3.634 18.764 659 HE ARG 15 HE ARG 15 15.483 5.318 16.418 660 HH11 ARG 15 HH11 ARG 15 12.965 3.925 18.495 661 HH12 ARG 15 HH12 ARG 15 11.784 4.109 17.195 662 HH21 ARG 15 HH21 ARG 15 13.822 5.325 14.864 663 HH22 ARG 15 HH22 ARG 15 12.221 4.807 15.374 664 H VAL 16 H VAL 16 13.769 8.000 21.195 665 HA VAL 16 HA VAL 16 11.289 6.658 22.179 666 HB VAL 16 HB VAL 16 11.986 9.571 22.642 667 HG11 VAL 16 HG11 VAL 16 9.800 9.716 23.809 668 HG12 VAL 16 HG12 VAL 16 9.613 9.404 22.085 669 HG13 VAL 16 HG13 VAL 16 9.408 8.072 23.251 670 HG21 VAL 16 HG21 VAL 16 13.047 8.171 24.326 671 HG22 VAL 16 HG22 VAL 16 11.677 9.023 25.043 672 HG23 VAL 16 HG23 VAL 16 11.511 7.306 24.612 673 H GLU 17 H GLU 17 9.534 6.851 20.839 674 HA GLU 17 HA GLU 17 9.765 8.468 18.379 675 HB2 GLU 17 HB2 GLU 17 10.763 6.347 17.832 676 HB3 GLU 17 HB3 GLU 17 9.405 5.462 18.539 677 HG2 GLU 17 HG2 GLU 17 7.897 6.337 16.799 678 HG3 GLU 17 HG3 GLU 17 9.237 7.233 16.084 679 H ILE 18 H ILE 18 7.860 9.182 17.548 680 HA ILE 18 HA ILE 18 5.268 8.312 18.783 681 HB ILE 18 HB ILE 18 6.094 11.145 18.051 682 HG12 ILE 18 HG12 ILE 18 5.248 10.230 20.821 683 HG13 ILE 18 HG13 ILE 18 6.927 10.149 20.322 684 HG21 ILE 18 HG21 ILE 18 3.708 10.731 17.508 685 HG22 ILE 18 HG22 ILE 18 3.429 10.093 19.144 686 HG23 ILE 18 HG23 ILE 18 3.845 11.799 18.890 687 HD11 ILE 18 HD11 ILE 18 6.509 12.216 21.527 688 HD12 ILE 18 HD12 ILE 18 6.996 12.537 19.855 689 HD13 ILE 18 HD13 ILE 18 5.300 12.711 20.324 690 H GLY 19 H GLY 19 3.966 7.502 17.254 691 HA2 GLY 19 HA2 GLY 19 4.513 7.949 14.362 692 HA3 GLY 19 HA3 GLY 19 3.459 6.726 15.061 693 H ASP 20 H ASP 20 2.624 8.130 12.913 694 HA ASP 20 HA ASP 20 0.848 9.252 12.053 695 HB2 ASP 20 HB2 ASP 20 -0.473 8.549 14.677 696 HB3 ASP 20 HB3 ASP 20 -1.253 8.847 13.121 697 H VAL 21 H VAL 21 2.689 11.008 13.121 698 HA VAL 21 HA VAL 21 1.437 13.204 14.571 699 HB VAL 21 HB VAL 21 4.078 13.027 13.080 700 HG11 VAL 21 HG11 VAL 21 3.110 15.125 15.049 701 HG12 VAL 21 HG12 VAL 21 4.758 14.970 14.404 702 HG13 VAL 21 HG13 VAL 21 3.436 15.374 13.313 703 HG21 VAL 21 HG21 VAL 21 3.397 12.757 16.044 704 HG22 VAL 21 HG22 VAL 21 3.986 11.462 14.975 705 HG23 VAL 21 HG23 VAL 21 5.040 12.815 15.374 706 H LEU 22 H LEU 22 0.330 14.877 13.773 707 HA LEU 22 HA LEU 22 0.132 15.313 10.820 708 HB2 LEU 22 HB2 LEU 22 -1.552 16.370 13.136 709 HB3 LEU 22 HB3 LEU 22 -1.816 16.724 11.426 710 HG LEU 22 HG LEU 22 -2.115 14.006 12.763 711 HD11 LEU 22 HD11 LEU 22 -4.502 14.336 12.128 712 HD12 LEU 22 HD12 LEU 22 -3.923 15.611 13.217 713 HD13 LEU 22 HD13 LEU 22 -4.099 15.936 11.476 714 HD21 LEU 22 HD21 LEU 22 -2.525 14.765 9.832 715 HD22 LEU 22 HD22 LEU 22 -1.293 13.653 10.465 716 HD23 LEU 22 HD23 LEU 22 -3.002 13.230 10.584 717 H GLU 23 H GLU 23 1.355 16.851 13.782 718 HA GLU 23 HA GLU 23 2.773 18.774 12.104 719 HB2 GLU 23 HB2 GLU 23 1.978 20.786 13.230 720 HB3 GLU 23 HB3 GLU 23 0.681 19.987 12.348 721 HG2 GLU 23 HG2 GLU 23 -0.219 19.043 14.442 722 HG3 GLU 23 HG3 GLU 23 1.112 19.745 15.360 723 H VAL 24 H VAL 24 4.410 19.911 13.098 724 HA VAL 24 HA VAL 24 5.182 19.275 15.898 725 HB VAL 24 HB VAL 24 7.096 19.032 13.540 726 HG11 VAL 24 HG11 VAL 24 8.246 19.831 15.570 727 HG12 VAL 24 HG12 VAL 24 7.527 18.521 16.514 728 HG13 VAL 24 HG13 VAL 24 8.694 18.166 15.223 729 HG21 VAL 24 HG21 VAL 24 5.910 16.895 15.335 730 HG22 VAL 24 HG22 VAL 24 5.662 17.084 13.577 731 HG23 VAL 24 HG23 VAL 24 7.248 16.636 14.193 732 H ARG 25 H ARG 25 6.161 20.968 16.930 733 HA ARG 25 HA ARG 25 6.820 23.453 15.385 734 HB2 ARG 25 HB2 ARG 25 5.241 23.392 17.986 735 HB3 ARG 25 HB3 ARG 25 5.692 24.819 17.054 736 HG2 ARG 25 HG2 ARG 25 4.225 24.002 15.180 737 HG3 ARG 25 HG3 ARG 25 3.726 22.637 16.206 738 HD2 ARG 25 HD2 ARG 25 2.971 24.285 17.950 739 HD3 ARG 25 HD3 ARG 25 3.330 25.595 16.809 740 HE ARG 25 HE ARG 25 1.520 23.490 15.796 741 HH11 ARG 25 HH11 ARG 25 -0.464 23.852 15.366 742 HH12 ARG 25 HH12 ARG 25 -1.305 25.313 15.869 743 HH21 ARG 25 HH21 ARG 25 1.513 26.597 17.436 744 HH22 ARG 25 HH22 ARG 25 -0.158 26.876 17.022 745 H ALA 26 H ALA 26 8.807 24.213 15.884 746 HA ALA 26 HA ALA 26 9.963 23.737 18.581 747 HB1 ALA 26 HB1 ALA 26 11.993 24.754 17.694 748 HB2 ALA 26 HB2 ALA 26 11.472 23.426 16.645 749 HB3 ALA 26 HB3 ALA 26 11.184 25.113 16.156 750 H GLU 27 H GLU 27 9.865 25.236 20.118 751 HA GLU 27 HA GLU 27 8.355 27.745 19.542 752 HB2 GLU 27 HB2 GLU 27 8.581 26.139 22.113 753 HB3 GLU 27 HB3 GLU 27 7.526 27.516 21.856 754 HG2 GLU 27 HG2 GLU 27 7.296 24.925 20.262 755 HG3 GLU 27 HG3 GLU 27 6.480 25.213 21.775 756 H GLY 28 H GLY 28 11.406 27.241 19.684 757 HA2 GLY 28 HA2 GLY 28 13.225 28.666 20.070 758 HA3 GLY 28 HA3 GLY 28 12.129 29.843 20.799 759 H GLY 29 H GLY 29 12.592 26.493 21.871 760 HA2 GLY 29 HA2 GLY 29 14.450 26.578 23.868 761 HA3 GLY 29 HA3 GLY 29 13.035 27.289 24.657 762 H ALA 30 H ALA 30 11.414 25.391 22.754 763 HA ALA 30 HA ALA 30 11.936 22.706 23.817 764 HB1 ALA 30 HB1 ALA 30 10.463 23.815 25.530 765 HB2 ALA 30 HB2 ALA 30 9.286 24.184 24.253 766 HB3 ALA 30 HB3 ALA 30 9.627 22.497 24.677 767 H VAL 31 H VAL 31 10.435 21.120 22.702 768 HA VAL 31 HA VAL 31 9.114 22.262 20.282 769 HB VAL 31 HB VAL 31 9.421 20.353 18.938 770 HG11 VAL 31 HG11 VAL 31 12.118 20.955 20.170 771 HG12 VAL 31 HG12 VAL 31 11.801 20.365 18.534 772 HG13 VAL 31 HG13 VAL 31 11.296 21.987 18.991 773 HG21 VAL 31 HG21 VAL 31 10.787 18.411 19.618 774 HG22 VAL 31 HG22 VAL 31 10.810 19.037 21.282 775 HG23 VAL 31 HG23 VAL 31 9.277 18.531 20.518 776 H ARG 32 H ARG 32 7.259 21.190 19.520 777 HA ARG 32 HA ARG 32 5.693 19.545 21.466 778 HB2 ARG 32 HB2 ARG 32 4.789 21.995 19.912 779 HB3 ARG 32 HB3 ARG 32 3.677 20.871 20.709 780 HG2 ARG 32 HG2 ARG 32 4.460 21.442 22.898 781 HG3 ARG 32 HG3 ARG 32 5.870 22.306 22.247 782 HD2 ARG 32 HD2 ARG 32 4.237 23.931 22.959 783 HD3 ARG 32 HD3 ARG 32 4.422 23.961 21.197 784 HE ARG 32 HE ARG 32 2.214 22.265 22.137 785 HH11 ARG 32 HH11 ARG 32 2.977 25.565 21.061 786 HH12 ARG 32 HH12 ARG 32 1.274 25.896 20.797 787 HH21 ARG 32 HH21 ARG 32 0.260 22.728 21.707 788 HH22 ARG 32 HH22 ARG 32 -0.269 24.302 21.124 789 H VAL 33 H VAL 33 4.421 18.032 20.578 790 HA VAL 33 HA VAL 33 4.392 17.554 17.618 791 HB VAL 33 HB VAL 33 4.945 15.533 19.833 792 HG11 VAL 33 HG11 VAL 33 4.901 15.192 16.816 793 HG12 VAL 33 HG12 VAL 33 5.443 13.962 17.967 794 HG13 VAL 33 HG13 VAL 33 3.747 14.483 17.970 795 HG21 VAL 33 HG21 VAL 33 6.861 16.585 17.723 796 HG22 VAL 33 HG22 VAL 33 6.935 16.927 19.469 797 HG23 VAL 33 HG23 VAL 33 7.176 15.288 18.913 798 H THR 34 H THR 34 2.379 17.033 16.835 799 HA THR 34 HA THR 34 0.303 16.082 18.784 800 HB THR 34 HB THR 34 -0.126 18.187 16.651 801 HG1 THR 34 HG1 THR 34 -0.448 19.522 18.425 802 HG21 THR 34 HG21 THR 34 -2.178 16.871 16.968 803 HG22 THR 34 HG22 THR 34 -2.030 17.025 18.735 804 HG23 THR 34 HG23 THR 34 -2.359 18.459 17.730 805 H THR 35 H THR 35 -0.894 14.424 18.215 806 HA THR 35 HA THR 35 -0.463 13.190 15.530 807 HB THR 35 HB THR 35 -1.089 11.096 16.537 808 HG1 THR 35 HG1 THR 35 -1.418 12.508 18.980 809 HG21 THR 35 HG21 THR 35 1.266 11.791 16.882 810 HG22 THR 35 HG22 THR 35 0.829 12.484 18.461 811 HG23 THR 35 HG23 THR 35 0.652 10.738 18.161 812 H LEU 36 H LEU 36 -2.219 11.919 14.586 813 HA LEU 36 HA LEU 36 -4.700 13.355 14.394 814 HB2 LEU 36 HB2 LEU 36 -5.393 11.685 12.853 815 HB3 LEU 36 HB3 LEU 36 -3.731 12.106 12.574 816 HG LEU 36 HG LEU 36 -3.141 9.950 13.926 817 HD11 LEU 36 HD11 LEU 36 -4.809 8.125 13.574 818 HD12 LEU 36 HD12 LEU 36 -5.380 9.316 14.733 819 HD13 LEU 36 HD13 LEU 36 -6.006 9.327 13.068 820 HD21 LEU 36 HD21 LEU 36 -2.723 10.290 11.528 821 HD22 LEU 36 HD22 LEU 36 -3.324 8.647 11.811 822 HD23 LEU 36 HD23 LEU 36 -4.414 9.892 11.153 823 H PHE 37 H PHE 37 -3.731 11.226 16.858 824 HA PHE 37 HA PHE 37 -6.414 10.281 17.581 825 HB2 PHE 37 HB2 PHE 37 -3.826 10.226 19.174 826 HB3 PHE 37 HB3 PHE 37 -5.273 9.290 19.504 827 HD1 PHE 37 HD1 PHE 37 -2.066 9.129 18.053 828 HD2 PHE 37 HD2 PHE 37 -6.120 7.781 17.424 829 HE1 PHE 37 HE1 PHE 37 -1.236 7.278 16.632 830 HE2 PHE 37 HE2 PHE 37 -5.281 5.930 15.997 831 HZ PHE 37 HZ PHE 37 -2.840 5.677 15.602 832 H ASP 38 H ASP 38 -5.178 13.290 17.679 833 HA ASP 38 HA ASP 38 -5.428 15.185 18.791 834 HB2 ASP 38 HB2 ASP 38 -7.865 14.488 18.720 835 HB3 ASP 38 HB3 ASP 38 -7.698 13.969 20.402 836 H GLU 39 H GLU 39 -3.732 12.968 19.855 837 HA GLU 39 HA GLU 39 -3.279 13.856 22.662 838 HB2 GLU 39 HB2 GLU 39 -1.896 11.723 20.999 839 HB3 GLU 39 HB3 GLU 39 -1.477 12.133 22.644 840 HG2 GLU 39 HG2 GLU 39 -4.104 10.921 21.688 841 HG3 GLU 39 HG3 GLU 39 -2.817 10.109 22.571 842 H GLU 40 H GLU 40 -1.521 14.980 23.297 843 HA GLU 40 HA GLU 40 0.356 16.060 21.242 844 HB2 GLU 40 HB2 GLU 40 -1.344 17.733 21.755 845 HB3 GLU 40 HB3 GLU 40 -0.996 17.578 23.486 846 HG2 GLU 40 HG2 GLU 40 1.237 18.491 23.171 847 HG3 GLU 40 HG3 GLU 40 1.046 18.491 21.425 848 H HIS 41 H HIS 41 2.433 16.290 21.806 849 HA HIS 41 HA HIS 41 3.365 15.461 24.524 850 HB2 HIS 41 HB2 HIS 41 4.732 14.687 21.929 851 HB3 HIS 41 HB3 HIS 41 5.095 14.129 23.540 852 HD2 HIS 41 HD2 HIS 41 2.697 13.578 20.612 853 HE1 HIS 41 HE1 HIS 41 1.788 10.522 23.441 854 HE2 HIS 41 HE2 HIS 41 1.356 11.360 21.075 855 H ALA 42 H ALA 42 5.214 16.567 25.272 856 HA ALA 42 HA ALA 42 6.425 18.618 23.507 857 HB1 ALA 42 HB1 ALA 42 5.226 19.238 26.233 858 HB2 ALA 42 HB2 ALA 42 6.117 20.367 25.190 859 HB3 ALA 42 HB3 ALA 42 4.551 19.719 24.656 860 H PHE 43 H PHE 43 8.481 19.216 23.935 861 HA PHE 43 HA PHE 43 9.999 17.738 26.048 862 HB2 PHE 43 HB2 PHE 43 10.642 17.719 23.098 863 HB3 PHE 43 HB3 PHE 43 11.571 16.965 24.379 864 HD1 PHE 43 HD1 PHE 43 8.692 16.657 22.144 865 HD2 PHE 43 HD2 PHE 43 10.642 14.976 25.608 866 HE1 PHE 43 HE1 PHE 43 7.367 14.578 21.880 867 HE2 PHE 43 HE2 PHE 43 9.309 12.890 25.340 868 HZ PHE 43 HZ PHE 43 7.672 12.691 23.485 869 HA PRO 44 HA PRO 44 11.743 21.962 26.037 870 HB2 PRO 44 HB2 PRO 44 12.903 20.866 28.577 871 HB3 PRO 44 HB3 PRO 44 12.193 22.482 28.269 872 HG2 PRO 44 HG2 PRO 44 10.755 20.601 29.590 873 HG3 PRO 44 HG3 PRO 44 9.963 21.579 28.313 874 HD2 PRO 44 HD2 PRO 44 11.113 18.770 28.079 875 HD3 PRO 44 HD3 PRO 44 9.526 19.401 27.526 876 H GLY 45 H GLY 45 13.763 22.742 25.516 877 HA2 GLY 45 HA2 GLY 45 16.018 22.826 25.117 878 HA3 GLY 45 HA3 GLY 45 16.219 21.283 25.952 879 H LEU 46 H LEU 46 13.991 20.836 23.441 880 HA LEU 46 HA LEU 46 16.086 19.772 21.610 881 HB2 LEU 46 HB2 LEU 46 13.112 19.252 21.616 882 HB3 LEU 46 HB3 LEU 46 14.302 18.509 20.555 883 HG LEU 46 HG LEU 46 13.946 18.079 23.550 884 HD11 LEU 46 HD11 LEU 46 13.556 15.787 22.881 885 HD12 LEU 46 HD12 LEU 46 12.495 16.830 21.929 886 HD13 LEU 46 HD13 LEU 46 13.951 16.146 21.184 887 HD21 LEU 46 HD21 LEU 46 15.833 16.442 23.394 888 HD22 LEU 46 HD22 LEU 46 16.195 17.057 21.759 889 HD23 LEU 46 HD23 LEU 46 16.367 18.111 23.189 890 H ALA 47 H ALA 47 15.698 19.926 19.305 891 HA ALA 47 HA ALA 47 13.982 22.072 18.265 892 HB1 ALA 47 HB1 ALA 47 16.120 23.215 18.664 893 HB2 ALA 47 HB2 ALA 47 16.989 21.955 17.744 894 HB3 ALA 47 HB3 ALA 47 15.829 23.032 16.925 895 H ILE 48 H ILE 48 13.755 21.905 15.864 896 HA ILE 48 HA ILE 48 13.660 19.095 14.977 897 HB ILE 48 HB ILE 48 12.903 21.636 13.503 898 HG12 ILE 48 HG12 ILE 48 11.043 19.633 14.878 899 HG13 ILE 48 HG13 ILE 48 11.524 21.184 15.570 900 HG21 ILE 48 HG21 ILE 48 13.408 19.783 11.942 901 HG22 ILE 48 HG22 ILE 48 12.360 18.683 12.866 902 HG23 ILE 48 HG23 ILE 48 11.680 20.060 11.973 903 HD11 ILE 48 HD11 ILE 48 10.562 22.325 13.521 904 HD12 ILE 48 HD12 ILE 48 9.831 20.751 13.096 905 HD13 ILE 48 HD13 ILE 48 9.398 21.558 14.618 906 H GLY 49 H GLY 49 15.310 18.085 14.034 907 HA2 GLY 49 HA2 GLY 49 17.668 19.616 13.063 908 HA3 GLY 49 HA3 GLY 49 17.588 17.897 13.441 909 H ARG 50 H ARG 50 15.378 17.114 11.891 910 HA ARG 50 HA ARG 50 15.908 17.863 9.080 911 HB2 ARG 50 HB2 ARG 50 17.675 16.215 9.577 912 HB3 ARG 50 HB3 ARG 50 16.471 15.069 10.171 913 HG2 ARG 50 HG2 ARG 50 15.495 14.871 7.934 914 HG3 ARG 50 HG3 ARG 50 16.589 16.121 7.309 915 HD2 ARG 50 HD2 ARG 50 18.509 14.707 7.682 916 HD3 ARG 50 HD3 ARG 50 17.519 13.477 8.511 917 HE ARG 50 HE ARG 50 16.214 13.373 6.296 918 HH11 ARG 50 HH11 ARG 50 19.701 13.560 6.425 919 HH12 ARG 50 HH12 ARG 50 19.864 13.001 4.778 920 HH21 ARG 50 HH21 ARG 50 16.454 12.856 4.251 921 HH22 ARG 50 HH22 ARG 50 18.035 12.692 3.520 922 H VAL 51 H VAL 51 14.356 17.302 7.637 923 HA VAL 51 HA VAL 51 11.935 15.817 8.562 924 HB VAL 51 HB VAL 51 11.876 18.390 6.946 925 HG11 VAL 51 HG11 VAL 51 9.412 18.243 7.286 926 HG12 VAL 51 HG12 VAL 51 10.043 16.918 6.306 927 HG13 VAL 51 HG13 VAL 51 9.619 16.633 8.007 928 HG21 VAL 51 HG21 VAL 51 10.727 19.415 8.849 929 HG22 VAL 51 HG22 VAL 51 10.995 17.951 9.827 930 HG23 VAL 51 HG23 VAL 51 12.369 18.934 9.287 931 H ASP 52 H ASP 52 11.328 14.283 7.130 932 HA ASP 52 HA ASP 52 12.102 14.485 4.239 933 HB2 ASP 52 HB2 ASP 52 12.104 11.982 5.964 934 HB3 ASP 52 HB3 ASP 52 12.337 12.036 4.213 935 H LEU 53 H LEU 53 10.257 14.865 3.161 936 HA LEU 53 HA LEU 53 7.655 14.258 4.307 937 HB2 LEU 53 HB2 LEU 53 8.439 15.403 1.594 938 HB3 LEU 53 HB3 LEU 53 6.804 15.270 2.224 939 HG LEU 53 HG LEU 53 7.391 17.482 2.439 940 HD11 LEU 53 HD11 LEU 53 7.202 17.963 4.809 941 HD12 LEU 53 HD12 LEU 53 6.230 16.535 4.416 942 HD13 LEU 53 HD13 LEU 53 7.787 16.351 5.233 943 HD21 LEU 53 HD21 LEU 53 9.300 18.449 3.521 944 HD22 LEU 53 HD22 LEU 53 9.918 16.863 3.985 945 HD23 LEU 53 HD23 LEU 53 9.840 17.334 2.272 946 H ARG 54 H ARG 54 9.523 12.978 1.564 947 HA ARG 54 HA ARG 54 7.550 11.136 0.572 948 HB2 ARG 54 HB2 ARG 54 9.570 11.855 -0.675 949 HB3 ARG 54 HB3 ARG 54 10.599 11.063 0.498 950 HG2 ARG 54 HG2 ARG 54 9.019 8.922 -0.310 951 HG3 ARG 54 HG3 ARG 54 8.983 9.933 -1.749 952 HD2 ARG 54 HD2 ARG 54 10.789 8.397 -1.973 953 HD3 ARG 54 HD3 ARG 54 11.495 10.001 -1.720 954 HE ARG 54 HE ARG 54 11.334 8.930 0.843 955 HH11 ARG 54 HH11 ARG 54 12.909 7.783 -2.074 956 HH12 ARG 54 HH12 ARG 54 14.120 6.918 -1.165 957 HH21 ARG 54 HH21 ARG 54 12.863 7.826 1.909 958 HH22 ARG 54 HH22 ARG 54 14.094 6.933 1.033 959 H SER 55 H SER 55 10.232 10.662 2.861 960 HA SER 55 HA SER 55 9.602 7.893 3.460 961 HB2 SER 55 HB2 SER 55 11.319 9.875 5.003 962 HB3 SER 55 HB3 SER 55 11.354 8.101 5.142 963 HG SER 55 HG SER 55 13.011 9.071 3.779 964 H GLY 56 H GLY 56 8.498 10.950 4.811 965 HA2 GLY 56 HA2 GLY 56 6.874 11.421 6.371 966 HA3 GLY 56 HA3 GLY 56 6.522 9.695 6.537 967 H VAL 57 H VAL 57 9.512 11.636 7.146 968 HA VAL 57 HA VAL 57 9.518 10.703 9.992 969 HB VAL 57 HB VAL 57 11.894 10.529 8.113 970 HG11 VAL 57 HG11 VAL 57 13.010 9.393 10.040 971 HG12 VAL 57 HG12 VAL 57 12.651 11.082 10.383 972 HG13 VAL 57 HG13 VAL 57 11.614 9.804 11.065 973 HG21 VAL 57 HG21 VAL 57 11.775 8.097 8.532 974 HG22 VAL 57 HG22 VAL 57 10.258 8.315 9.424 975 HG23 VAL 57 HG23 VAL 57 10.343 8.674 7.689 976 H ILE 58 H ILE 58 10.165 12.098 11.472 977 HA ILE 58 HA ILE 58 11.618 14.598 10.712 978 HB ILE 58 HB ILE 58 9.301 14.285 12.646 979 HG12 ILE 58 HG12 ILE 58 9.585 16.186 10.270 980 HG13 ILE 58 HG13 ILE 58 8.818 14.604 10.124 981 HG21 ILE 58 HG21 ILE 58 9.638 16.718 13.158 982 HG22 ILE 58 HG22 ILE 58 11.004 15.753 13.668 983 HG23 ILE 58 HG23 ILE 58 11.120 16.702 12.165 984 HD11 ILE 58 HD11 ILE 58 7.826 16.869 11.864 985 HD12 ILE 58 HD12 ILE 58 7.129 16.257 10.366 986 HD13 ILE 58 HD13 ILE 58 7.131 15.214 11.805 987 H SER 59 H SER 59 13.498 14.760 11.742 988 HA SER 59 HA SER 59 14.033 13.035 14.141 989 HB2 SER 59 HB2 SER 59 15.462 12.588 12.179 990 HB3 SER 59 HB3 SER 59 15.992 14.290 12.192 991 HG SER 59 HG SER 59 17.448 12.886 13.293 992 H LEU 60 H LEU 60 14.261 13.996 16.033 993 HA LEU 60 HA LEU 60 14.670 16.937 16.246 994 HB2 LEU 60 HB2 LEU 60 13.927 14.871 18.340 995 HB3 LEU 60 HB3 LEU 60 14.042 16.607 18.602 996 HG LEU 60 HG LEU 60 12.014 15.255 16.757 997 HD11 LEU 60 HD11 LEU 60 11.807 16.381 19.573 998 HD12 LEU 60 HD12 LEU 60 10.406 15.978 18.549 999 HD13 LEU 60 HD13 LEU 60 11.537 14.720 19.062 1000 HD21 LEU 60 HD21 LEU 60 12.437 17.511 15.981 1001 HD22 LEU 60 HD22 LEU 60 10.892 17.494 16.820 1002 HD23 LEU 60 HD23 LEU 60 12.333 18.151 17.631 1003 H ILE 61 H ILE 61 16.238 17.817 17.512 1004 HA ILE 61 HA ILE 61 18.485 16.117 18.491 1005 HB ILE 61 HB ILE 61 20.131 17.651 17.615 1006 HG12 ILE 61 HG12 ILE 61 19.041 19.162 15.584 1007 HG13 ILE 61 HG13 ILE 61 17.769 19.286 16.800 1008 HG21 ILE 61 HG21 ILE 61 20.065 17.014 15.283 1009 HG22 ILE 61 HG22 ILE 61 19.470 15.677 16.291 1010 HG23 ILE 61 HG23 ILE 61 18.332 16.667 15.361 1011 HD11 ILE 61 HD11 ILE 61 19.414 21.127 16.906 1012 HD12 ILE 61 HD12 ILE 61 19.290 20.215 18.414 1013 HD13 ILE 61 HD13 ILE 61 20.682 19.955 17.324 1014 H GLU 62 H GLU 62 19.835 17.206 20.037 1015 HA GLU 62 HA GLU 62 18.296 18.818 22.003 1016 HB2 GLU 62 HB2 GLU 62 21.147 17.756 22.070 1017 HB3 GLU 62 HB3 GLU 62 20.341 18.629 23.380 1018 HG2 GLU 62 HG2 GLU 62 18.592 16.849 23.475 1019 HG3 GLU 62 HG3 GLU 62 19.477 15.924 22.261 1020 H GLU 63 H GLU 63 18.345 21.001 22.049 1021 HA GLU 63 HA GLU 63 19.098 22.322 19.753 1022 HB2 GLU 63 HB2 GLU 63 17.319 22.989 21.357 1023 HB3 GLU 63 HB3 GLU 63 18.573 23.611 22.439 1024 HG2 GLU 63 HG2 GLU 63 19.261 24.949 20.173 1025 HG3 GLU 63 HG3 GLU 63 17.557 24.678 19.825 1026 H GLN 64 H GLN 64 21.065 22.404 19.031 1027 HA GLN 64 HA GLN 64 23.171 24.012 20.374 1028 HB2 GLN 64 HB2 GLN 64 23.506 21.251 19.136 1029 HB3 GLN 64 HB3 GLN 64 24.859 22.313 19.545 1030 HG2 GLN 64 HG2 GLN 64 24.527 22.112 21.868 1031 HG3 GLN 64 HG3 GLN 64 22.899 21.466 21.690 1032 HE21 GLN 64 HE21 GLN 64 22.635 19.299 20.690 1033 HE22 GLN 64 HE22 GLN 64 23.917 18.113 20.964 1034 H ASN 65 H ASN 65 21.266 24.795 18.438 1035 HA ASN 65 HA ASN 65 21.822 24.283 15.818 1036 HB2 ASN 65 HB2 ASN 65 20.587 26.874 16.806 1037 HB3 ASN 65 HB3 ASN 65 20.246 25.996 15.336 1038 HD21 ASN 65 HD21 ASN 65 18.234 26.904 17.011 1039 HD22 ASN 65 HD22 ASN 65 17.439 25.490 17.694 1040 H ARG 66 H ARG 66 23.818 26.245 17.702 1041 HA ARG 66 HA ARG 66 24.614 28.322 15.943 1042 HB2 ARG 66 HB2 ARG 66 26.553 28.562 17.412 1043 HB3 ARG 66 HB3 ARG 66 25.051 28.400 18.315 1044 HG2 ARG 66 HG2 ARG 66 25.627 25.957 18.730 1045 HG3 ARG 66 HG3 ARG 66 27.152 26.229 17.879 1046 HD2 ARG 66 HD2 ARG 66 27.580 26.355 20.227 1047 HD3 ARG 66 HD3 ARG 66 27.762 27.978 19.546 1048 HE ARG 66 HE ARG 66 25.077 27.589 20.534 1049 HH11 ARG 66 HH11 ARG 66 28.313 27.978 21.843 1050 HH12 ARG 66 HH12 ARG 66 27.727 28.733 23.304 1051 HH21 ARG 66 HH21 ARG 66 24.454 28.789 22.309 1052 HH22 ARG 66 HH22 ARG 66 25.606 29.128 23.579 Start of MODEL 19 1 H1 GLY -3 H1 GLY -3 8.775 0.168 -3.506 2 H2 GLY -3 H2 GLY -3 8.959 1.181 -4.781 3 H3 GLY -3 H3 GLY -3 7.737 1.418 -3.710 4 HA2 GLY -3 HA2 GLY -3 10.597 1.669 -3.091 5 HA3 GLY -3 HA3 GLY -3 9.483 3.024 -3.349 6 HA PRO -2 HA PRO -2 9.048 0.913 1.035 7 HB2 PRO -2 HB2 PRO -2 11.604 2.284 1.876 8 HB3 PRO -2 HB3 PRO -2 10.920 0.729 2.440 9 HG2 PRO -2 HG2 PRO -2 12.964 0.758 0.666 10 HG3 PRO -2 HG3 PRO -2 11.583 -0.366 0.409 11 HD2 PRO -2 HD2 PRO -2 12.068 2.350 -0.871 12 HD3 PRO -2 HD3 PRO -2 11.618 0.798 -1.639 13 H GLY -1 H GLY -1 10.043 4.174 0.079 14 HA2 GLY -1 HA2 GLY -1 9.251 5.571 2.463 15 HA3 GLY -1 HA3 GLY -1 9.546 6.276 0.881 16 H SER 0 H SER 0 7.558 7.165 2.655 17 HA SER 0 HA SER 0 4.897 6.336 1.722 18 HB2 SER 0 HB2 SER 0 4.138 8.259 3.031 19 HB3 SER 0 HB3 SER 0 5.211 7.204 3.981 20 HG SER 0 HG SER 0 5.661 9.487 4.178 21 H MET 1 H MET 1 7.342 8.629 0.748 22 HA MET 1 HA MET 1 7.539 10.104 -0.920 23 HB2 MET 1 HB2 MET 1 5.683 8.183 -2.365 24 HB3 MET 1 HB3 MET 1 6.723 9.387 -3.144 25 HG2 MET 1 HG2 MET 1 7.571 7.044 -1.428 26 HG3 MET 1 HG3 MET 1 7.787 7.207 -3.175 27 HE1 MET 1 HE1 MET 1 8.776 10.623 -2.635 28 HE2 MET 1 HE2 MET 1 10.469 10.305 -3.064 29 HE3 MET 1 HE3 MET 1 9.153 9.600 -4.041 30 H CYS 2 H CYS 2 6.305 11.288 0.729 31 HA CYS 2 HA CYS 2 4.013 12.819 -0.470 32 HB2 CYS 2 HB2 CYS 2 5.356 13.126 2.238 33 HB3 CYS 2 HB3 CYS 2 4.033 14.102 1.642 34 H MET 3 H MET 3 4.288 15.257 -0.264 35 HA MET 3 HA MET 3 7.014 16.287 -0.207 36 HB2 MET 3 HB2 MET 3 6.895 17.597 -2.227 37 HB3 MET 3 HB3 MET 3 6.672 15.901 -2.610 38 HG2 MET 3 HG2 MET 3 5.125 16.971 -3.958 39 HG3 MET 3 HG3 MET 3 4.146 16.343 -2.638 40 HE1 MET 3 HE1 MET 3 2.137 17.876 -3.453 41 HE2 MET 3 HE2 MET 3 2.271 19.633 -3.705 42 HE3 MET 3 HE3 MET 3 3.147 18.504 -4.765 43 H ALA 4 H ALA 4 6.985 18.720 -0.092 44 HA ALA 4 HA ALA 4 4.507 19.870 1.089 45 HB1 ALA 4 HB1 ALA 4 7.255 19.821 2.421 46 HB2 ALA 4 HB2 ALA 4 5.843 20.707 3.026 47 HB3 ALA 4 HB3 ALA 4 5.803 18.939 2.965 48 H LYS 5 H LYS 5 4.872 22.275 1.541 49 HA LYS 5 HA LYS 5 6.861 23.500 -0.331 50 HB2 LYS 5 HB2 LYS 5 5.663 25.618 -0.168 51 HB3 LYS 5 HB3 LYS 5 4.720 24.332 -0.943 52 HG2 LYS 5 HG2 LYS 5 3.311 24.074 0.987 53 HG3 LYS 5 HG3 LYS 5 4.369 25.072 1.988 54 HD2 LYS 5 HD2 LYS 5 2.360 26.276 1.419 55 HD3 LYS 5 HD3 LYS 5 3.775 27.084 0.760 56 HE2 LYS 5 HE2 LYS 5 2.188 25.160 -0.976 57 HE3 LYS 5 HE3 LYS 5 1.512 26.746 -0.613 58 HZ1 LYS 5 HZ1 LYS 5 3.510 27.788 -1.519 59 HZ2 LYS 5 HZ2 LYS 5 4.135 26.318 -1.926 60 HZ3 LYS 5 HZ3 LYS 5 2.767 26.857 -2.643 61 H VAL 6 H VAL 6 8.368 24.829 0.432 62 HA VAL 6 HA VAL 6 8.600 25.273 3.392 63 HB VAL 6 HB VAL 6 10.627 25.340 1.170 64 HG11 VAL 6 HG11 VAL 6 10.936 26.727 3.856 65 HG12 VAL 6 HG12 VAL 6 12.269 26.331 2.757 66 HG13 VAL 6 HG13 VAL 6 11.054 27.483 2.246 67 HG21 VAL 6 HG21 VAL 6 10.217 23.290 2.613 68 HG22 VAL 6 HG22 VAL 6 11.876 23.923 2.696 69 HG23 VAL 6 HG23 VAL 6 10.737 24.236 4.013 70 H VAL 7 H VAL 7 8.413 27.275 4.226 71 HA VAL 7 HA VAL 7 8.313 29.617 2.405 72 HB VAL 7 HB VAL 7 5.987 29.083 2.886 73 HG11 VAL 7 HG11 VAL 7 5.025 29.294 5.131 74 HG12 VAL 7 HG12 VAL 7 6.180 27.958 5.075 75 HG13 VAL 7 HG13 VAL 7 6.634 29.501 5.833 76 HG21 VAL 7 HG21 VAL 7 6.722 31.461 2.643 77 HG22 VAL 7 HG22 VAL 7 5.263 31.248 3.620 78 HG23 VAL 7 HG23 VAL 7 6.808 31.576 4.417 79 H LEU 8 H LEU 8 9.325 31.398 3.080 80 HA LEU 8 HA LEU 8 10.386 31.696 5.807 81 HB2 LEU 8 HB2 LEU 8 12.716 31.627 5.182 82 HB3 LEU 8 HB3 LEU 8 11.929 30.135 4.702 83 HG LEU 8 HG LEU 8 11.707 31.392 2.332 84 HD11 LEU 8 HD11 LEU 8 12.817 33.492 2.987 85 HD12 LEU 8 HD12 LEU 8 14.231 32.581 3.577 86 HD13 LEU 8 HD13 LEU 8 13.832 32.608 1.851 87 HD21 LEU 8 HD21 LEU 8 14.246 30.055 3.345 88 HD22 LEU 8 HD22 LEU 8 12.784 29.231 2.730 89 HD23 LEU 8 HD23 LEU 8 13.752 30.238 1.651 90 H THR 9 H THR 9 11.636 33.762 6.032 91 HA THR 9 HA THR 9 11.077 35.805 3.946 92 HB THR 9 HB THR 9 10.517 36.288 6.891 93 HG1 THR 9 HG1 THR 9 8.954 34.972 6.003 94 HG21 THR 9 HG21 THR 9 11.172 38.342 5.702 95 HG22 THR 9 HG22 THR 9 9.989 37.988 4.415 96 HG23 THR 9 HG23 THR 9 9.436 38.358 6.064 97 H LYS 10 H LYS 10 12.768 37.038 3.513 98 HA LYS 10 HA LYS 10 15.365 36.621 4.718 99 HB2 LYS 10 HB2 LYS 10 14.374 38.792 2.817 100 HB3 LYS 10 HB3 LYS 10 16.070 38.448 3.181 101 HG2 LYS 10 HG2 LYS 10 15.887 36.209 2.203 102 HG3 LYS 10 HG3 LYS 10 14.173 36.477 1.843 103 HD2 LYS 10 HD2 LYS 10 14.862 38.520 0.472 104 HD3 LYS 10 HD3 LYS 10 16.551 38.007 0.696 105 HE2 LYS 10 HE2 LYS 10 15.940 35.780 -0.309 106 HE3 LYS 10 HE3 LYS 10 14.297 36.398 -0.570 107 HZ1 LYS 10 HZ1 LYS 10 15.233 38.099 -2.024 108 HZ2 LYS 10 HZ2 LYS 10 16.754 37.549 -1.787 109 HZ3 LYS 10 HZ3 LYS 10 15.661 36.632 -2.575 110 H ALA 11 H ALA 11 16.763 38.319 5.550 111 HA ALA 11 HA ALA 11 15.721 39.900 7.725 112 HB1 ALA 11 HB1 ALA 11 18.011 40.768 7.818 113 HB2 ALA 11 HB2 ALA 11 18.025 39.010 7.620 114 HB3 ALA 11 HB3 ALA 11 18.371 40.069 6.224 115 H ASP 12 H ASP 12 16.263 40.600 4.297 116 HA ASP 12 HA ASP 12 15.787 43.455 4.415 117 HB2 ASP 12 HB2 ASP 12 15.687 41.423 2.139 118 HB3 ASP 12 HB3 ASP 12 15.630 43.160 1.945 119 H GLY 13 H GLY 13 13.639 40.912 4.971 120 HA2 GLY 13 HA2 GLY 13 11.357 41.053 5.375 121 HA3 GLY 13 HA3 GLY 13 11.278 42.606 4.534 122 H GLY 14 H GLY 14 12.894 40.313 2.581 123 HA2 GLY 14 HA2 GLY 14 10.660 40.123 0.696 124 HA3 GLY 14 HA3 GLY 14 12.291 39.468 0.518 125 H ARG 15 H ARG 15 9.061 38.652 1.024 126 HA ARG 15 HA ARG 15 9.536 36.117 2.431 127 HB2 ARG 15 HB2 ARG 15 7.501 37.547 2.741 128 HB3 ARG 15 HB3 ARG 15 6.979 37.093 1.109 129 HG2 ARG 15 HG2 ARG 15 6.833 34.734 1.777 130 HG3 ARG 15 HG3 ARG 15 7.591 35.108 3.343 131 HD2 ARG 15 HD2 ARG 15 5.654 36.627 3.863 132 HD3 ARG 15 HD3 ARG 15 4.894 36.114 2.353 133 HE ARG 15 HE ARG 15 4.258 34.128 3.335 134 HH11 ARG 15 HH11 ARG 15 6.740 35.467 5.455 135 HH12 ARG 15 HH12 ARG 15 6.242 34.454 6.782 136 HH21 ARG 15 HH21 ARG 15 3.723 32.868 5.082 137 HH22 ARG 15 HH22 ARG 15 4.619 33.016 6.566 138 H VAL 16 H VAL 16 9.591 34.125 1.606 139 HA VAL 16 HA VAL 16 9.630 33.710 -1.363 140 HB VAL 16 HB VAL 16 11.806 32.989 0.628 141 HG11 VAL 16 HG11 VAL 16 11.604 32.263 -2.326 142 HG12 VAL 16 HG12 VAL 16 13.062 32.076 -1.326 143 HG13 VAL 16 HG13 VAL 16 11.631 31.130 -0.948 144 HG21 VAL 16 HG21 VAL 16 12.000 35.307 -0.084 145 HG22 VAL 16 HG22 VAL 16 13.267 34.345 -0.835 146 HG23 VAL 16 HG23 VAL 16 11.845 34.828 -1.792 147 H GLU 17 H GLU 17 9.044 31.705 -2.045 148 HA GLU 17 HA GLU 17 8.531 29.565 -0.059 149 HB2 GLU 17 HB2 GLU 17 6.667 30.374 -2.311 150 HB3 GLU 17 HB3 GLU 17 6.566 28.851 -1.426 151 HG2 GLU 17 HG2 GLU 17 6.203 30.075 0.689 152 HG3 GLU 17 HG3 GLU 17 6.292 31.615 -0.171 153 H ILE 18 H ILE 18 8.821 27.471 -0.783 154 HA ILE 18 HA ILE 18 9.872 27.008 -3.548 155 HB ILE 18 HB ILE 18 10.952 25.754 -1.005 156 HG12 ILE 18 HG12 ILE 18 12.532 27.463 -2.971 157 HG13 ILE 18 HG13 ILE 18 11.755 28.147 -1.542 158 HG21 ILE 18 HG21 ILE 18 10.891 24.145 -2.898 159 HG22 ILE 18 HG22 ILE 18 11.784 25.303 -3.911 160 HG23 ILE 18 HG23 ILE 18 12.544 24.564 -2.489 161 HD11 ILE 18 HD11 ILE 18 13.883 25.995 -1.427 162 HD12 ILE 18 HD12 ILE 18 14.072 27.711 -1.064 163 HD13 ILE 18 HD13 ILE 18 13.029 26.701 -0.044 164 H GLY 19 H GLY 19 8.583 25.590 -4.567 165 HA2 GLY 19 HA2 GLY 19 6.618 23.948 -3.066 166 HA3 GLY 19 HA3 GLY 19 6.641 24.226 -4.792 167 H ASP 20 H ASP 20 6.196 21.729 -3.808 168 HA ASP 20 HA ASP 20 6.794 19.554 -3.936 169 HB2 ASP 20 HB2 ASP 20 8.655 20.413 -6.162 170 HB3 ASP 20 HB3 ASP 20 7.890 18.846 -5.951 171 H VAL 21 H VAL 21 8.169 20.790 -1.868 172 HA VAL 21 HA VAL 21 10.974 20.085 -1.817 173 HB VAL 21 HB VAL 21 9.086 20.852 0.424 174 HG11 VAL 21 HG11 VAL 21 12.106 20.495 0.452 175 HG12 VAL 21 HG12 VAL 21 11.165 21.282 1.725 176 HG13 VAL 21 HG13 VAL 21 10.923 19.569 1.400 177 HG21 VAL 21 HG21 VAL 21 11.260 22.386 -1.071 178 HG22 VAL 21 HG22 VAL 21 9.513 22.646 -1.231 179 HG23 VAL 21 HG23 VAL 21 10.319 23.007 0.295 180 H LEU 22 H LEU 22 11.941 18.297 -1.279 181 HA LEU 22 HA LEU 22 10.351 15.863 -0.660 182 HB2 LEU 22 HB2 LEU 22 11.699 16.166 -2.737 183 HB3 LEU 22 HB3 LEU 22 13.165 16.257 -1.791 184 HG LEU 22 HG LEU 22 12.782 14.129 -2.964 185 HD11 LEU 22 HD11 LEU 22 12.774 13.654 0.027 186 HD12 LEU 22 HD12 LEU 22 13.432 12.625 -1.250 187 HD13 LEU 22 HD13 LEU 22 14.179 14.192 -0.924 188 HD21 LEU 22 HD21 LEU 22 11.063 12.580 -2.373 189 HD22 LEU 22 HD22 LEU 22 10.496 13.605 -1.031 190 HD23 LEU 22 HD23 LEU 22 10.291 14.128 -2.718 191 H GLU 23 H GLU 23 13.192 17.757 0.431 192 HA GLU 23 HA GLU 23 12.647 16.964 3.146 193 HB2 GLU 23 HB2 GLU 23 14.782 16.058 3.742 194 HB3 GLU 23 HB3 GLU 23 14.028 15.035 2.529 195 HG2 GLU 23 HG2 GLU 23 15.527 15.757 0.812 196 HG3 GLU 23 HG3 GLU 23 16.099 17.127 1.771 197 H VAL 24 H VAL 24 13.959 18.047 4.741 198 HA VAL 24 HA VAL 24 15.384 20.513 3.896 199 HB VAL 24 HB VAL 24 13.215 20.453 6.026 200 HG11 VAL 24 HG11 VAL 24 14.859 22.766 4.911 201 HG12 VAL 24 HG12 VAL 24 13.523 22.909 6.063 202 HG13 VAL 24 HG13 VAL 24 15.002 22.078 6.529 203 HG21 VAL 24 HG21 VAL 24 11.984 22.021 4.528 204 HG22 VAL 24 HG22 VAL 24 13.174 21.691 3.253 205 HG23 VAL 24 HG23 VAL 24 12.120 20.398 3.862 206 H ARG 25 H ARG 25 17.110 21.007 5.154 207 HA ARG 25 HA ARG 25 17.741 19.280 7.527 208 HB2 ARG 25 HB2 ARG 25 19.639 20.166 5.323 209 HB3 ARG 25 HB3 ARG 25 20.055 19.184 6.731 210 HG2 ARG 25 HG2 ARG 25 18.608 17.347 5.896 211 HG3 ARG 25 HG3 ARG 25 18.164 18.338 4.490 212 HD2 ARG 25 HD2 ARG 25 20.602 18.470 3.884 213 HD3 ARG 25 HD3 ARG 25 20.942 17.323 5.199 214 HE ARG 25 HE ARG 25 18.918 16.177 3.576 215 HH11 ARG 25 HH11 ARG 25 22.332 16.904 3.274 216 HH12 ARG 25 HH12 ARG 25 22.563 15.725 2.010 217 HH21 ARG 25 HH21 ARG 25 19.251 14.767 1.897 218 HH22 ARG 25 HH22 ARG 25 20.871 14.531 1.289 219 H ALA 26 H ALA 26 18.303 20.371 9.315 220 HA ALA 26 HA ALA 26 18.903 23.273 9.162 221 HB1 ALA 26 HB1 ALA 26 17.235 22.532 10.805 222 HB2 ALA 26 HB2 ALA 26 18.450 21.475 11.574 223 HB3 ALA 26 HB3 ALA 26 18.664 23.240 11.586 224 H GLU 27 H GLU 27 20.804 24.151 9.602 225 HA GLU 27 HA GLU 27 23.146 22.492 10.468 226 HB2 GLU 27 HB2 GLU 27 23.101 25.135 8.961 227 HB3 GLU 27 HB3 GLU 27 24.538 24.245 9.434 228 HG2 GLU 27 HG2 GLU 27 22.443 23.380 7.393 229 HG3 GLU 27 HG3 GLU 27 24.060 23.969 7.059 230 H GLY 28 H GLY 28 24.757 23.953 11.726 231 HA2 GLY 28 HA2 GLY 28 23.477 25.057 14.081 232 HA3 GLY 28 HA3 GLY 28 25.205 24.986 13.738 233 H GLY 29 H GLY 29 22.498 26.633 12.075 234 HA2 GLY 29 HA2 GLY 29 22.449 29.179 12.574 235 HA3 GLY 29 HA3 GLY 29 24.089 29.173 11.923 236 H ALA 30 H ALA 30 21.949 26.983 10.274 237 HA ALA 30 HA ALA 30 20.924 28.876 8.339 238 HB1 ALA 30 HB1 ALA 30 23.311 28.662 7.628 239 HB2 ALA 30 HB2 ALA 30 23.113 26.906 7.497 240 HB3 ALA 30 HB3 ALA 30 22.213 27.984 6.420 241 H VAL 31 H VAL 31 19.775 27.737 6.542 242 HA VAL 31 HA VAL 31 19.012 24.897 7.134 243 HB VAL 31 HB VAL 31 17.075 27.090 6.351 244 HG11 VAL 31 HG11 VAL 31 16.653 24.069 6.534 245 HG12 VAL 31 HG12 VAL 31 15.349 25.266 6.478 246 HG13 VAL 31 HG13 VAL 31 16.433 25.090 5.097 247 HG21 VAL 31 HG21 VAL 31 15.927 26.450 8.429 248 HG22 VAL 31 HG22 VAL 31 17.178 25.223 8.763 249 HG23 VAL 31 HG23 VAL 31 17.576 26.952 8.760 250 H ARG 32 H ARG 32 18.815 23.543 5.457 251 HA ARG 32 HA ARG 32 19.248 24.542 2.662 252 HB2 ARG 32 HB2 ARG 32 20.327 21.971 3.870 253 HB3 ARG 32 HB3 ARG 32 20.493 22.478 2.190 254 HG2 ARG 32 HG2 ARG 32 21.842 24.435 2.883 255 HG3 ARG 32 HG3 ARG 32 21.627 23.991 4.584 256 HD2 ARG 32 HD2 ARG 32 23.747 23.229 4.088 257 HD3 ARG 32 HD3 ARG 32 22.744 21.771 4.061 258 HE ARG 32 HE ARG 32 22.713 22.108 1.481 259 HH11 ARG 32 HH11 ARG 32 25.532 23.028 3.403 260 HH12 ARG 32 HH12 ARG 32 26.596 22.806 2.034 261 HH21 ARG 32 HH21 ARG 32 24.083 21.800 -0.089 262 HH22 ARG 32 HH22 ARG 32 25.809 22.128 0.083 263 H VAL 33 H VAL 33 18.029 23.613 1.077 264 HA VAL 33 HA VAL 33 15.729 21.835 1.876 265 HB VAL 33 HB VAL 33 15.641 24.363 0.182 266 HG11 VAL 33 HG11 VAL 33 13.170 24.046 0.248 267 HG12 VAL 33 HG12 VAL 33 13.994 22.775 -0.649 268 HG13 VAL 33 HG13 VAL 33 13.417 22.452 1.005 269 HG21 VAL 33 HG21 VAL 33 15.823 24.912 2.594 270 HG22 VAL 33 HG22 VAL 33 14.227 25.316 1.957 271 HG23 VAL 33 HG23 VAL 33 14.443 23.845 2.931 272 H THR 34 H THR 34 15.261 20.213 0.456 273 HA THR 34 HA THR 34 16.515 20.287 -2.274 274 HB THR 34 HB THR 34 16.250 17.898 -0.426 275 HG1 THR 34 HG1 THR 34 17.980 19.263 0.063 276 HG21 THR 34 HG21 THR 34 17.606 16.716 -2.163 277 HG22 THR 34 HG22 THR 34 15.963 17.103 -2.701 278 HG23 THR 34 HG23 THR 34 17.345 18.095 -3.255 279 H THR 35 H THR 35 15.178 19.933 -3.955 280 HA THR 35 HA THR 35 12.316 19.425 -3.382 281 HB THR 35 HB THR 35 11.818 20.159 -5.549 282 HG1 THR 35 HG1 THR 35 13.383 20.632 -7.063 283 HG21 THR 35 HG21 THR 35 12.425 21.960 -3.931 284 HG22 THR 35 HG22 THR 35 14.080 21.959 -4.587 285 HG23 THR 35 HG23 THR 35 12.707 22.409 -5.626 286 H LEU 36 H LEU 36 11.048 18.093 -4.824 287 HA LEU 36 HA LEU 36 11.754 15.378 -5.070 288 HB2 LEU 36 HB2 LEU 36 9.489 16.280 -4.925 289 HB3 LEU 36 HB3 LEU 36 9.704 17.163 -6.435 290 HG LEU 36 HG LEU 36 9.755 15.035 -7.698 291 HD11 LEU 36 HD11 LEU 36 10.634 13.504 -5.965 292 HD12 LEU 36 HD12 LEU 36 9.152 13.749 -5.002 293 HD13 LEU 36 HD13 LEU 36 9.090 12.926 -6.587 294 HD21 LEU 36 HD21 LEU 36 7.385 14.475 -7.400 295 HD22 LEU 36 HD22 LEU 36 7.367 15.278 -5.814 296 HD23 LEU 36 HD23 LEU 36 7.627 16.225 -7.297 297 H PHE 37 H PHE 37 12.518 18.028 -7.177 298 HA PHE 37 HA PHE 37 13.376 16.222 -9.384 299 HB2 PHE 37 HB2 PHE 37 12.697 19.170 -9.513 300 HB3 PHE 37 HB3 PHE 37 13.070 18.115 -10.876 301 HD1 PHE 37 HD1 PHE 37 11.543 16.041 -11.248 302 HD2 PHE 37 HD2 PHE 37 10.430 19.373 -8.748 303 HE1 PHE 37 HE1 PHE 37 9.185 15.286 -11.304 304 HE2 PHE 37 HE2 PHE 37 8.064 18.610 -8.801 305 HZ PHE 37 HZ PHE 37 7.441 16.565 -10.072 306 H ASP 38 H ASP 38 14.853 16.900 -6.881 307 HA ASP 38 HA ASP 38 16.949 17.104 -6.197 308 HB2 ASP 38 HB2 ASP 38 17.761 16.611 -9.076 309 HB3 ASP 38 HB3 ASP 38 18.757 16.379 -7.644 310 H GLU 39 H GLU 39 15.643 19.668 -7.170 311 HA GLU 39 HA GLU 39 18.000 21.404 -7.612 312 HB2 GLU 39 HB2 GLU 39 15.170 22.171 -6.809 313 HB3 GLU 39 HB3 GLU 39 16.484 23.256 -7.232 314 HG2 GLU 39 HG2 GLU 39 16.577 22.190 -9.513 315 HG3 GLU 39 HG3 GLU 39 15.140 21.247 -9.092 316 H GLU 40 H GLU 40 18.971 22.663 -5.998 317 HA GLU 40 HA GLU 40 18.191 22.106 -3.174 318 HB2 GLU 40 HB2 GLU 40 20.224 20.817 -3.735 319 HB3 GLU 40 HB3 GLU 40 21.034 22.326 -4.207 320 HG2 GLU 40 HG2 GLU 40 20.836 23.198 -1.928 321 HG3 GLU 40 HG3 GLU 40 19.907 21.773 -1.440 322 H HIS 41 H HIS 41 18.151 23.760 -1.801 323 HA HIS 41 HA HIS 41 19.044 26.479 -2.659 324 HB2 HIS 41 HB2 HIS 41 16.412 25.912 -1.250 325 HB3 HIS 41 HB3 HIS 41 16.992 27.451 -1.873 326 HD2 HIS 41 HD2 HIS 41 15.255 24.209 -2.940 327 HE1 HIS 41 HE1 HIS 41 15.365 26.647 -6.431 328 HE2 HIS 41 HE2 HIS 41 14.456 24.510 -5.429 329 H ALA 42 H ALA 42 19.753 27.814 -0.929 330 HA ALA 42 HA ALA 42 19.802 26.626 1.799 331 HB1 ALA 42 HB1 ALA 42 22.240 26.949 1.958 332 HB2 ALA 42 HB2 ALA 42 21.833 25.792 0.672 333 HB3 ALA 42 HB3 ALA 42 22.293 27.455 0.247 334 H PHE 43 H PHE 43 19.924 27.997 3.450 335 HA PHE 43 HA PHE 43 19.783 30.944 2.919 336 HB2 PHE 43 HB2 PHE 43 17.761 29.283 4.426 337 HB3 PHE 43 HB3 PHE 43 17.745 31.040 4.234 338 HD1 PHE 43 HD1 PHE 43 17.400 32.050 1.951 339 HD2 PHE 43 HD2 PHE 43 16.983 27.817 2.670 340 HE1 PHE 43 HE1 PHE 43 16.224 31.791 -0.231 341 HE2 PHE 43 HE2 PHE 43 15.812 27.564 0.501 342 HZ PHE 43 HZ PHE 43 15.454 29.551 -0.961 343 HA PRO 44 HA PRO 44 22.255 30.528 6.769 344 HB2 PRO 44 HB2 PRO 44 23.569 32.917 6.653 345 HB3 PRO 44 HB3 PRO 44 24.046 31.501 5.670 346 HG2 PRO 44 HG2 PRO 44 22.320 33.848 4.837 347 HG3 PRO 44 HG3 PRO 44 23.714 33.132 3.955 348 HD2 PRO 44 HD2 PRO 44 21.124 32.510 3.391 349 HD3 PRO 44 HD3 PRO 44 22.431 31.286 3.251 350 H GLY 45 H GLY 45 21.869 31.259 8.776 351 HA2 GLY 45 HA2 GLY 45 21.179 32.655 10.511 352 HA3 GLY 45 HA3 GLY 45 20.444 33.766 9.363 353 H LEU 46 H LEU 46 19.251 30.788 8.477 354 HA LEU 46 HA LEU 46 16.799 31.092 10.122 355 HB2 LEU 46 HB2 LEU 46 17.298 29.442 7.625 356 HB3 LEU 46 HB3 LEU 46 15.764 29.591 8.484 357 HG LEU 46 HG LEU 46 17.222 31.776 6.956 358 HD11 LEU 46 HD11 LEU 46 15.319 31.671 5.479 359 HD12 LEU 46 HD12 LEU 46 15.927 30.022 5.667 360 HD13 LEU 46 HD13 LEU 46 14.476 30.530 6.546 361 HD21 LEU 46 HD21 LEU 46 15.185 33.180 7.410 362 HD22 LEU 46 HD22 LEU 46 14.622 31.940 8.557 363 HD23 LEU 46 HD23 LEU 46 16.121 32.856 8.868 364 H ALA 47 H ALA 47 15.703 29.277 10.905 365 HA ALA 47 HA ALA 47 17.075 26.684 11.168 366 HB1 ALA 47 HB1 ALA 47 15.793 28.180 13.500 367 HB2 ALA 47 HB2 ALA 47 16.378 26.498 13.534 368 HB3 ALA 47 HB3 ALA 47 17.524 27.832 13.296 369 H ILE 48 H ILE 48 15.527 24.929 11.526 370 HA ILE 48 HA ILE 48 13.012 25.299 10.091 371 HB ILE 48 HB ILE 48 13.992 22.872 11.632 372 HG12 ILE 48 HG12 ILE 48 14.004 23.377 8.615 373 HG13 ILE 48 HG13 ILE 48 15.420 23.576 9.646 374 HG21 ILE 48 HG21 ILE 48 12.222 21.676 10.310 375 HG22 ILE 48 HG22 ILE 48 11.522 22.870 11.381 376 HG23 ILE 48 HG23 ILE 48 11.682 23.219 9.648 377 HD11 ILE 48 HD11 ILE 48 15.624 21.451 8.647 378 HD12 ILE 48 HD12 ILE 48 15.193 21.148 10.343 379 HD13 ILE 48 HD13 ILE 48 13.969 20.986 9.057 380 H GLY 49 H GLY 49 11.284 26.229 10.934 381 HA2 GLY 49 HA2 GLY 49 11.075 26.694 13.828 382 HA3 GLY 49 HA3 GLY 49 10.098 27.412 12.547 383 H ARG 50 H ARG 50 8.564 25.868 11.422 384 HA ARG 50 HA ARG 50 7.328 23.880 13.270 385 HB2 ARG 50 HB2 ARG 50 5.865 26.349 12.210 386 HB3 ARG 50 HB3 ARG 50 5.154 25.015 13.133 387 HG2 ARG 50 HG2 ARG 50 6.750 25.543 15.020 388 HG3 ARG 50 HG3 ARG 50 7.259 26.988 14.127 389 HD2 ARG 50 HD2 ARG 50 5.052 27.941 14.284 390 HD3 ARG 50 HD3 ARG 50 4.392 26.468 14.994 391 HE ARG 50 HE ARG 50 5.788 26.840 17.002 392 HH11 ARG 50 HH11 ARG 50 5.461 29.711 14.982 393 HH12 ARG 50 HH12 ARG 50 5.881 30.762 16.305 394 HH21 ARG 50 HH21 ARG 50 6.305 28.202 18.581 395 HH22 ARG 50 HH22 ARG 50 6.326 29.934 18.297 396 H VAL 51 H VAL 51 5.888 22.456 12.358 397 HA VAL 51 HA VAL 51 5.947 22.188 9.373 398 HB VAL 51 HB VAL 51 6.646 20.034 11.403 399 HG11 VAL 51 HG11 VAL 51 5.598 19.035 9.451 400 HG12 VAL 51 HG12 VAL 51 6.621 19.992 8.364 401 HG13 VAL 51 HG13 VAL 51 7.329 18.725 9.378 402 HG21 VAL 51 HG21 VAL 51 8.903 20.078 10.428 403 HG22 VAL 51 HG22 VAL 51 8.466 21.504 9.456 404 HG23 VAL 51 HG23 VAL 51 8.528 21.603 11.223 405 H ASP 52 H ASP 52 4.140 21.348 8.475 406 HA ASP 52 HA ASP 52 2.054 20.034 10.146 407 HB2 ASP 52 HB2 ASP 52 1.642 22.471 10.123 408 HB3 ASP 52 HB3 ASP 52 1.629 22.458 8.364 409 H LEU 53 H LEU 53 2.148 18.073 9.198 410 HA LEU 53 HA LEU 53 2.727 17.632 6.367 411 HB2 LEU 53 HB2 LEU 53 1.723 15.666 8.483 412 HB3 LEU 53 HB3 LEU 53 2.420 15.284 6.920 413 HG LEU 53 HG LEU 53 4.059 14.762 8.389 414 HD11 LEU 53 HD11 LEU 53 4.927 16.105 6.514 415 HD12 LEU 53 HD12 LEU 53 4.848 17.563 7.528 416 HD13 LEU 53 HD13 LEU 53 5.947 16.233 7.960 417 HD21 LEU 53 HD21 LEU 53 4.906 15.981 10.244 418 HD22 LEU 53 HD22 LEU 53 3.894 17.388 9.888 419 HD23 LEU 53 HD23 LEU 53 3.163 15.846 10.404 420 H ARG 54 H ARG 54 -0.130 17.871 8.339 421 HA ARG 54 HA ARG 54 -2.063 16.679 6.514 422 HB2 ARG 54 HB2 ARG 54 -2.608 16.688 8.755 423 HB3 ARG 54 HB3 ARG 54 -2.089 18.317 9.051 424 HG2 ARG 54 HG2 ARG 54 -4.591 17.663 7.432 425 HG3 ARG 54 HG3 ARG 54 -4.567 17.777 9.185 426 HD2 ARG 54 HD2 ARG 54 -4.073 20.008 7.208 427 HD3 ARG 54 HD3 ARG 54 -5.381 19.851 8.371 428 HE ARG 54 HE ARG 54 -2.571 20.645 8.898 429 HH11 ARG 54 HH11 ARG 54 -5.532 19.704 10.559 430 HH12 ARG 54 HH12 ARG 54 -4.940 20.369 12.062 431 HH21 ARG 54 HH21 ARG 54 -2.056 21.623 10.680 432 HH22 ARG 54 HH22 ARG 54 -2.807 21.158 12.189 433 H SER 55 H SER 55 -0.932 19.996 7.071 434 HA SER 55 HA SER 55 -2.463 21.085 4.804 435 HB2 SER 55 HB2 SER 55 -1.954 22.380 6.882 436 HB3 SER 55 HB3 SER 55 -0.231 22.316 6.447 437 HG SER 55 HG SER 55 -2.368 23.607 5.081 438 H GLY 56 H GLY 56 0.833 19.892 5.356 439 HA2 GLY 56 HA2 GLY 56 2.399 19.187 3.782 440 HA3 GLY 56 HA3 GLY 56 1.476 19.947 2.471 441 H VAL 57 H VAL 57 2.725 21.350 5.536 442 HA VAL 57 HA VAL 57 4.278 23.377 3.952 443 HB VAL 57 HB VAL 57 2.348 23.941 6.231 444 HG11 VAL 57 HG11 VAL 57 2.828 26.345 5.736 445 HG12 VAL 57 HG12 VAL 57 4.222 25.505 6.398 446 HG13 VAL 57 HG13 VAL 57 4.124 25.838 4.642 447 HG21 VAL 57 HG21 VAL 57 1.119 25.258 4.524 448 HG22 VAL 57 HG22 VAL 57 2.246 24.680 3.279 449 HG23 VAL 57 HG23 VAL 57 1.174 23.546 4.114 450 H ILE 58 H ILE 58 6.165 24.004 4.704 451 HA ILE 58 HA ILE 58 7.013 23.421 7.515 452 HB ILE 58 HB ILE 58 8.644 23.217 4.964 453 HG12 ILE 58 HG12 ILE 58 8.262 21.071 7.079 454 HG13 ILE 58 HG13 ILE 58 7.149 21.226 5.729 455 HG21 ILE 58 HG21 ILE 58 10.551 22.601 6.521 456 HG22 ILE 58 HG22 ILE 58 10.056 24.278 6.667 457 HG23 ILE 58 HG23 ILE 58 9.544 23.092 7.887 458 HD11 ILE 58 HD11 ILE 58 10.110 20.659 5.478 459 HD12 ILE 58 HD12 ILE 58 8.757 19.551 5.203 460 HD13 ILE 58 HD13 ILE 58 8.999 20.933 4.115 461 H SER 59 H SER 59 7.324 25.259 8.593 462 HA SER 59 HA SER 59 7.837 27.814 7.121 463 HB2 SER 59 HB2 SER 59 5.759 27.729 8.411 464 HB3 SER 59 HB3 SER 59 6.665 27.326 9.880 465 HG SER 59 HG SER 59 6.182 29.601 9.655 466 H LEU 60 H LEU 60 9.792 28.636 7.222 467 HA LEU 60 HA LEU 60 11.714 27.780 9.331 468 HB2 LEU 60 HB2 LEU 60 12.264 29.396 6.843 469 HB3 LEU 60 HB3 LEU 60 13.447 28.675 7.926 470 HG LEU 60 HG LEU 60 11.539 27.201 6.041 471 HD11 LEU 60 HD11 LEU 60 13.653 26.527 4.928 472 HD12 LEU 60 HD12 LEU 60 13.441 28.285 4.943 473 HD13 LEU 60 HD13 LEU 60 14.570 27.528 6.071 474 HD21 LEU 60 HD21 LEU 60 12.769 25.142 6.692 475 HD22 LEU 60 HD22 LEU 60 13.592 26.049 7.974 476 HD23 LEU 60 HD23 LEU 60 11.839 25.819 8.036 477 H ILE 61 H ILE 61 12.856 29.253 10.579 478 HA ILE 61 HA ILE 61 11.828 32.041 10.748 479 HB ILE 61 HB ILE 61 11.570 31.897 13.140 480 HG12 ILE 61 HG12 ILE 61 11.353 29.209 13.847 481 HG13 ILE 61 HG13 ILE 61 12.816 29.227 12.858 482 HG21 ILE 61 HG21 ILE 61 9.494 30.655 13.244 483 HG22 ILE 61 HG22 ILE 61 9.634 31.460 11.677 484 HG23 ILE 61 HG23 ILE 61 9.915 29.718 11.799 485 HD11 ILE 61 HD11 ILE 61 13.315 29.555 15.241 486 HD12 ILE 61 HD12 ILE 61 13.778 30.964 14.283 487 HD13 ILE 61 HD13 ILE 61 12.301 31.018 15.271 488 H GLU 62 H GLU 62 13.192 33.473 12.053 489 HA GLU 62 HA GLU 62 16.004 33.158 11.340 490 HB2 GLU 62 HB2 GLU 62 14.583 35.249 13.041 491 HB3 GLU 62 HB3 GLU 62 16.295 35.281 12.594 492 HG2 GLU 62 HG2 GLU 62 15.676 35.338 10.185 493 HG3 GLU 62 HG3 GLU 62 13.962 35.303 10.626 494 H GLU 63 H GLU 63 17.530 32.137 12.446 495 HA GLU 63 HA GLU 63 16.933 30.398 14.468 496 HB2 GLU 63 HB2 GLU 63 18.766 30.196 12.880 497 HB3 GLU 63 HB3 GLU 63 19.696 31.426 13.745 498 HG2 GLU 63 HG2 GLU 63 18.728 28.905 15.119 499 HG3 GLU 63 HG3 GLU 63 20.189 28.903 14.150 500 H GLN 64 H GLN 64 16.273 30.743 16.410 501 HA GLN 64 HA GLN 64 17.928 32.193 18.395 502 HB2 GLN 64 HB2 GLN 64 14.932 32.615 17.979 503 HB3 GLN 64 HB3 GLN 64 15.800 33.058 19.454 504 HG2 GLN 64 HG2 GLN 64 17.242 34.590 18.218 505 HG3 GLN 64 HG3 GLN 64 16.488 34.129 16.695 506 HE21 GLN 64 HE21 GLN 64 15.682 36.160 16.132 507 HE22 GLN 64 HE22 GLN 64 14.388 36.931 17.042 508 H ASN 65 H ASN 65 18.381 29.758 18.178 509 HA ASN 65 HA ASN 65 16.473 27.865 19.133 510 HB2 ASN 65 HB2 ASN 65 18.428 27.604 17.508 511 HB3 ASN 65 HB3 ASN 65 19.491 27.590 18.919 512 HD21 ASN 65 HD21 ASN 65 20.220 25.457 18.600 513 HD22 ASN 65 HD22 ASN 65 19.145 24.075 18.706 514 H ARG 66 H ARG 66 17.569 30.095 21.125 515 HA ARG 66 HA ARG 66 18.378 28.461 23.473 516 HB2 ARG 66 HB2 ARG 66 17.908 31.460 23.155 517 HB3 ARG 66 HB3 ARG 66 18.373 30.646 24.658 518 HG2 ARG 66 HG2 ARG 66 20.385 29.707 23.444 519 HG3 ARG 66 HG3 ARG 66 19.987 30.771 22.098 520 HD2 ARG 66 HD2 ARG 66 20.311 32.742 23.459 521 HD3 ARG 66 HD3 ARG 66 20.492 31.751 24.932 522 HE ARG 66 HE ARG 66 22.448 30.805 23.183 523 HH11 ARG 66 HH11 ARG 66 24.489 31.284 23.240 524 HH12 ARG 66 HH12 ARG 66 25.065 32.803 23.896 525 HH21 ARG 66 HH21 ARG 66 21.900 33.906 24.719 526 HH22 ARG 66 HH22 ARG 66 23.606 34.263 24.730 527 H1 GLY -3 H1 GLY -3 -9.541 22.970 -3.646 528 H2 GLY -3 H2 GLY -3 -8.557 24.127 -4.271 529 H3 GLY -3 H3 GLY -3 -9.977 24.547 -3.566 530 HA2 GLY -3 HA2 GLY -3 -8.157 25.067 -2.081 531 HA3 GLY -3 HA3 GLY -3 -9.213 23.804 -1.414 532 HA PRO -2 HA PRO -2 -4.818 22.366 -1.100 533 HB2 PRO -2 HB2 PRO -2 -6.034 21.134 1.366 534 HB3 PRO -2 HB3 PRO -2 -4.422 21.887 1.152 535 HG2 PRO -2 HG2 PRO -2 -6.415 23.267 2.363 536 HG3 PRO -2 HG3 PRO -2 -5.384 24.093 1.143 537 HD2 PRO -2 HD2 PRO -2 -8.141 22.879 0.768 538 HD3 PRO -2 HD3 PRO -2 -7.524 24.472 0.240 539 H GLY -1 H GLY -1 -3.874 20.282 -1.268 540 HA2 GLY -1 HA2 GLY -1 -5.498 18.190 -2.538 541 HA3 GLY -1 HA3 GLY -1 -3.753 18.196 -2.294 542 H SER 0 H SER 0 -4.441 15.868 -1.901 543 HA SER 0 HA SER 0 -5.671 15.001 0.495 544 HB2 SER 0 HB2 SER 0 -3.457 13.629 -1.076 545 HB3 SER 0 HB3 SER 0 -4.573 12.859 0.057 546 HG SER 0 HG SER 0 -6.269 13.286 -1.323 547 H MET 1 H MET 1 -4.924 14.359 2.475 548 HA MET 1 HA MET 1 -2.786 15.855 3.672 549 HB2 MET 1 HB2 MET 1 -4.437 13.482 4.647 550 HB3 MET 1 HB3 MET 1 -3.290 14.361 5.660 551 HG2 MET 1 HG2 MET 1 -4.533 16.413 5.455 552 HG3 MET 1 HG3 MET 1 -5.624 15.710 4.269 553 HE1 MET 1 HE1 MET 1 -4.506 13.597 7.527 554 HE2 MET 1 HE2 MET 1 -4.287 15.309 7.957 555 HE3 MET 1 HE3 MET 1 -5.576 14.349 8.730 556 H CYS 2 H CYS 2 -1.017 15.092 4.855 557 HA CYS 2 HA CYS 2 0.011 12.366 4.334 558 HB2 CYS 2 HB2 CYS 2 1.280 14.015 2.924 559 HB3 CYS 2 HB3 CYS 2 1.731 14.863 4.394 560 H MET 3 H MET 3 1.644 11.794 6.084 561 HA MET 3 HA MET 3 1.418 13.250 8.621 562 HB2 MET 3 HB2 MET 3 0.890 11.229 9.924 563 HB3 MET 3 HB3 MET 3 -0.415 11.721 8.853 564 HG2 MET 3 HG2 MET 3 -0.287 9.354 8.845 565 HG3 MET 3 HG3 MET 3 0.170 9.950 7.262 566 HE1 MET 3 HE1 MET 3 2.212 9.448 10.673 567 HE2 MET 3 HE2 MET 3 1.211 7.991 10.466 568 HE3 MET 3 HE3 MET 3 2.986 7.889 10.325 569 H ALA 4 H ALA 4 2.987 12.286 10.239 570 HA ALA 4 HA ALA 4 5.299 10.892 9.005 571 HB1 ALA 4 HB1 ALA 4 5.456 13.604 10.383 572 HB2 ALA 4 HB2 ALA 4 6.857 12.625 9.899 573 HB3 ALA 4 HB3 ALA 4 5.777 13.270 8.663 574 H LYS 5 H LYS 5 7.034 10.585 10.727 575 HA LYS 5 HA LYS 5 5.947 10.345 13.466 576 HB2 LYS 5 HB2 LYS 5 7.189 8.348 13.936 577 HB3 LYS 5 HB3 LYS 5 6.100 8.073 12.582 578 HG2 LYS 5 HG2 LYS 5 7.991 8.253 10.992 579 HG3 LYS 5 HG3 LYS 5 9.100 8.586 12.347 580 HD2 LYS 5 HD2 LYS 5 8.502 6.395 13.355 581 HD3 LYS 5 HD3 LYS 5 7.471 6.033 11.951 582 HE2 LYS 5 HE2 LYS 5 9.408 6.127 10.464 583 HE3 LYS 5 HE3 LYS 5 10.449 6.665 11.787 584 HZ1 LYS 5 HZ1 LYS 5 10.698 4.292 11.429 585 HZ2 LYS 5 HZ2 LYS 5 10.027 4.552 12.909 586 HZ3 LYS 5 HZ3 LYS 5 9.103 4.023 11.656 587 H VAL 6 H VAL 6 7.215 10.960 15.105 588 HA VAL 6 HA VAL 6 9.651 12.548 14.418 589 HB VAL 6 HB VAL 6 7.890 12.521 16.873 590 HG11 VAL 6 HG11 VAL 6 10.516 14.007 16.444 591 HG12 VAL 6 HG12 VAL 6 9.348 14.350 17.735 592 HG13 VAL 6 HG13 VAL 6 10.172 12.795 17.706 593 HG21 VAL 6 HG21 VAL 6 7.126 13.834 14.849 594 HG22 VAL 6 HG22 VAL 6 7.478 14.845 16.250 595 HG23 VAL 6 HG23 VAL 6 8.647 14.745 14.932 596 H VAL 7 H VAL 7 11.672 12.046 15.181 597 HA VAL 7 HA VAL 7 11.957 9.708 17.012 598 HB VAL 7 HB VAL 7 12.353 8.836 14.803 599 HG11 VAL 7 HG11 VAL 7 13.107 10.856 13.594 600 HG12 VAL 7 HG12 VAL 7 14.632 10.831 14.517 601 HG13 VAL 7 HG13 VAL 7 14.224 9.504 13.396 602 HG21 VAL 7 HG21 VAL 7 14.991 9.102 16.318 603 HG22 VAL 7 HG22 VAL 7 13.683 7.959 16.721 604 HG23 VAL 7 HG23 VAL 7 14.531 7.843 15.173 605 H LEU 8 H LEU 8 13.395 9.866 18.573 606 HA LEU 8 HA LEU 8 15.393 12.021 18.692 607 HB2 LEU 8 HB2 LEU 8 14.482 13.095 20.644 608 HB3 LEU 8 HB3 LEU 8 13.287 13.075 19.352 609 HG LEU 8 HG LEU 8 12.395 10.895 20.639 610 HD11 LEU 8 HD11 LEU 8 13.693 12.548 22.861 611 HD12 LEU 8 HD12 LEU 8 12.488 11.269 23.107 612 HD13 LEU 8 HD13 LEU 8 14.072 10.863 22.446 613 HD21 LEU 8 HD21 LEU 8 10.790 12.342 21.806 614 HD22 LEU 8 HD22 LEU 8 11.842 13.747 21.542 615 HD23 LEU 8 HD23 LEU 8 11.092 12.914 20.163 616 H THR 9 H THR 9 16.693 11.906 20.728 617 HA THR 9 HA THR 9 16.534 9.291 22.151 618 HB THR 9 HB THR 9 19.169 10.529 21.292 619 HG1 THR 9 HG1 THR 9 18.127 9.589 19.554 620 HG21 THR 9 HG21 THR 9 18.512 7.862 22.621 621 HG22 THR 9 HG22 THR 9 20.111 8.391 22.064 622 HG23 THR 9 HG23 THR 9 19.324 9.241 23.411 623 H LYS 10 H LYS 10 16.339 9.542 24.239 624 HA LYS 10 HA LYS 10 16.209 12.106 25.533 625 HB2 LYS 10 HB2 LYS 10 16.314 9.278 26.649 626 HB3 LYS 10 HB3 LYS 10 15.891 10.718 27.585 627 HG2 LYS 10 HG2 LYS 10 13.904 11.092 26.216 628 HG3 LYS 10 HG3 LYS 10 14.262 9.674 25.233 629 HD2 LYS 10 HD2 LYS 10 13.881 9.576 28.258 630 HD3 LYS 10 HD3 LYS 10 12.554 9.341 27.098 631 HE2 LYS 10 HE2 LYS 10 13.549 7.363 26.178 632 HE3 LYS 10 HE3 LYS 10 15.073 7.632 27.025 633 HZ1 LYS 10 HZ1 LYS 10 12.550 7.120 28.480 634 HZ2 LYS 10 HZ2 LYS 10 13.611 5.945 28.077 635 HZ3 LYS 10 HZ3 LYS 10 14.080 7.107 29.090 636 H ALA 11 H ALA 11 17.346 12.801 27.389 637 HA ALA 11 HA ALA 11 20.228 12.474 27.483 638 HB1 ALA 11 HB1 ALA 11 20.033 13.858 29.519 639 HB2 ALA 11 HB2 ALA 11 19.089 14.560 28.193 640 HB3 ALA 11 HB3 ALA 11 18.262 13.666 29.496 641 H ASP 12 H ASP 12 17.524 10.784 28.867 642 HA ASP 12 HA ASP 12 18.775 9.134 30.838 643 HB2 ASP 12 HB2 ASP 12 16.334 9.599 30.433 644 HB3 ASP 12 HB3 ASP 12 16.420 8.670 28.942 645 H GLY 13 H GLY 13 19.330 9.277 27.454 646 HA2 GLY 13 HA2 GLY 13 20.786 8.073 26.153 647 HA3 GLY 13 HA3 GLY 13 20.907 6.808 27.380 648 H GLY 14 H GLY 14 17.667 7.555 26.686 649 HA2 GLY 14 HA2 GLY 14 17.316 4.959 25.264 650 HA3 GLY 14 HA3 GLY 14 16.096 5.846 26.171 651 H ARG 15 H ARG 15 16.847 4.928 23.130 652 HA ARG 15 HA ARG 15 16.023 7.319 21.634 653 HB2 ARG 15 HB2 ARG 15 17.625 5.637 20.752 654 HB3 ARG 15 HB3 ARG 15 16.322 4.430 20.739 655 HG2 ARG 15 HG2 ARG 15 15.068 5.781 19.099 656 HG3 ARG 15 HG3 ARG 15 16.310 7.050 19.153 657 HD2 ARG 15 HD2 ARG 15 17.974 5.586 18.239 658 HD3 ARG 15 HD3 ARG 15 16.944 4.160 18.419 659 HE ARG 15 HE ARG 15 16.967 6.036 16.215 660 HH11 ARG 15 HH11 ARG 15 14.709 3.887 17.913 661 HH12 ARG 15 HH12 ARG 15 13.638 3.882 16.511 662 HH21 ARG 15 HH21 ARG 15 15.523 5.745 14.473 663 HH22 ARG 15 HH22 ARG 15 14.047 4.822 14.787 664 H VAL 16 H VAL 16 14.087 7.761 20.751 665 HA VAL 16 HA VAL 16 11.698 6.103 21.426 666 HB VAL 16 HB VAL 16 12.085 9.048 22.056 667 HG11 VAL 16 HG11 VAL 16 9.759 8.718 21.327 668 HG12 VAL 16 HG12 VAL 16 9.592 7.329 22.433 669 HG13 VAL 16 HG13 VAL 16 9.822 8.969 23.074 670 HG21 VAL 16 HG21 VAL 16 13.116 7.657 23.777 671 HG22 VAL 16 HG22 VAL 16 11.638 8.380 24.404 672 HG23 VAL 16 HG23 VAL 16 11.634 6.674 23.906 673 H GLU 17 H GLU 17 10.067 6.164 19.981 674 HA GLU 17 HA GLU 17 10.125 8.151 17.763 675 HB2 GLU 17 HB2 GLU 17 9.425 5.202 17.540 676 HB3 GLU 17 HB3 GLU 17 9.080 6.425 16.306 677 HG2 GLU 17 HG2 GLU 17 11.493 6.913 16.074 678 HG3 GLU 17 HG3 GLU 17 11.872 5.716 17.306 679 H ILE 18 H ILE 18 8.172 8.989 17.154 680 HA ILE 18 HA ILE 18 5.707 8.220 18.685 681 HB ILE 18 HB ILE 18 6.651 11.028 18.031 682 HG12 ILE 18 HG12 ILE 18 6.367 9.669 20.747 683 HG13 ILE 18 HG13 ILE 18 7.897 10.008 19.924 684 HG21 ILE 18 HG21 ILE 18 4.164 10.812 17.873 685 HG22 ILE 18 HG22 ILE 18 4.135 10.110 19.507 686 HG23 ILE 18 HG23 ILE 18 4.637 11.793 19.248 687 HD11 ILE 18 HD11 ILE 18 7.637 11.698 21.518 688 HD12 ILE 18 HD12 ILE 18 7.322 12.454 19.946 689 HD13 ILE 18 HD13 ILE 18 5.974 12.057 21.036 690 H GLY 19 H GLY 19 4.280 7.439 17.287 691 HA2 GLY 19 HA2 GLY 19 4.447 8.060 14.401 692 HA3 GLY 19 HA3 GLY 19 3.486 6.794 15.163 693 H ASP 20 H ASP 20 2.327 8.051 13.210 694 HA ASP 20 HA ASP 20 0.524 9.187 12.470 695 HB2 ASP 20 HB2 ASP 20 -0.571 8.818 15.261 696 HB3 ASP 20 HB3 ASP 20 -1.477 9.034 13.779 697 H VAL 21 H VAL 21 2.581 10.958 13.160 698 HA VAL 21 HA VAL 21 1.444 13.249 14.616 699 HB VAL 21 HB VAL 21 4.081 12.952 13.126 700 HG11 VAL 21 HG11 VAL 21 3.521 15.307 13.273 701 HG12 VAL 21 HG12 VAL 21 3.125 15.132 15.002 702 HG13 VAL 21 HG13 VAL 21 4.792 14.902 14.424 703 HG21 VAL 21 HG21 VAL 21 5.050 12.773 15.411 704 HG22 VAL 21 HG22 VAL 21 3.413 12.792 16.105 705 HG23 VAL 21 HG23 VAL 21 3.940 11.437 15.081 706 H LEU 22 H LEU 22 0.388 14.922 13.761 707 HA LEU 22 HA LEU 22 0.379 15.310 10.785 708 HB2 LEU 22 HB2 LEU 22 -1.526 16.378 12.899 709 HB3 LEU 22 HB3 LEU 22 -1.580 16.759 11.183 710 HG LEU 22 HG LEU 22 -2.162 14.069 12.467 711 HD11 LEU 22 HD11 LEU 22 -4.382 14.442 11.434 712 HD12 LEU 22 HD12 LEU 22 -3.955 15.784 12.511 713 HD13 LEU 22 HD13 LEU 22 -3.825 15.984 10.755 714 HD21 LEU 22 HD21 LEU 22 -0.981 13.540 10.429 715 HD22 LEU 22 HD22 LEU 22 -2.699 13.296 10.145 716 HD23 LEU 22 HD23 LEU 22 -1.905 14.751 9.509 717 H GLU 23 H GLU 23 1.386 16.876 13.801 718 HA GLU 23 HA GLU 23 2.733 18.936 12.213 719 HB2 GLU 23 HB2 GLU 23 1.688 20.838 13.326 720 HB3 GLU 23 HB3 GLU 23 0.511 19.903 12.409 721 HG2 GLU 23 HG2 GLU 23 -0.194 18.797 14.576 722 HG3 GLU 23 HG3 GLU 23 0.910 19.900 15.421 723 H VAL 24 H VAL 24 4.328 20.086 13.246 724 HA VAL 24 HA VAL 24 5.183 19.284 15.983 725 HB VAL 24 HB VAL 24 6.991 19.027 13.537 726 HG11 VAL 24 HG11 VAL 24 8.290 19.760 15.500 727 HG12 VAL 24 HG12 VAL 24 7.579 18.462 16.472 728 HG13 VAL 24 HG13 VAL 24 8.648 18.085 15.119 729 HG21 VAL 24 HG21 VAL 24 5.821 16.909 15.380 730 HG22 VAL 24 HG22 VAL 24 5.499 17.115 13.638 731 HG23 VAL 24 HG23 VAL 24 7.100 16.615 14.181 732 H ARG 25 H ARG 25 6.403 20.842 17.023 733 HA ARG 25 HA ARG 25 7.069 23.365 15.546 734 HB2 ARG 25 HB2 ARG 25 5.611 23.228 18.223 735 HB3 ARG 25 HB3 ARG 25 6.168 24.693 17.414 736 HG2 ARG 25 HG2 ARG 25 4.622 24.220 15.509 737 HG3 ARG 25 HG3 ARG 25 4.043 22.786 16.362 738 HD2 ARG 25 HD2 ARG 25 3.287 24.183 18.256 739 HD3 ARG 25 HD3 ARG 25 3.900 25.624 17.470 740 HE ARG 25 HE ARG 25 2.018 25.718 16.144 741 HH11 ARG 25 HH11 ARG 25 2.034 22.467 17.519 742 HH12 ARG 25 HH12 ARG 25 0.495 22.114 16.717 743 HH21 ARG 25 HH21 ARG 25 0.071 25.066 15.220 744 HH22 ARG 25 HH22 ARG 25 -0.478 23.417 15.547 745 H ALA 26 H ALA 26 9.093 24.062 15.970 746 HA ALA 26 HA ALA 26 10.379 23.353 18.557 747 HB1 ALA 26 HB1 ALA 26 11.803 23.155 16.597 748 HB2 ALA 26 HB2 ALA 26 11.463 24.846 16.145 749 HB3 ALA 26 HB3 ALA 26 12.357 24.476 17.640 750 H GLU 27 H GLU 27 10.359 24.683 20.193 751 HA GLU 27 HA GLU 27 8.974 27.317 19.987 752 HB2 GLU 27 HB2 GLU 27 9.090 25.455 22.368 753 HB3 GLU 27 HB3 GLU 27 8.050 26.857 22.168 754 HG2 GLU 27 HG2 GLU 27 7.829 24.316 20.497 755 HG3 GLU 27 HG3 GLU 27 6.957 24.612 21.991 756 H GLY 28 H GLY 28 11.866 26.692 19.758 757 HA2 GLY 28 HA2 GLY 28 13.798 27.950 20.228 758 HA3 GLY 28 HA3 GLY 28 12.976 28.744 21.577 759 H GLY 29 H GLY 29 12.642 27.472 23.541 760 HA2 GLY 29 HA2 GLY 29 15.062 25.998 24.297 761 HA3 GLY 29 HA3 GLY 29 13.747 26.499 25.360 762 H ALA 30 H ALA 30 12.203 24.903 22.929 763 HA ALA 30 HA ALA 30 12.508 22.138 23.865 764 HB1 ALA 30 HB1 ALA 30 11.056 23.283 25.593 765 HB2 ALA 30 HB2 ALA 30 9.938 23.747 24.291 766 HB3 ALA 30 HB3 ALA 30 10.174 22.031 24.691 767 H VAL 31 H VAL 31 10.903 20.724 22.718 768 HA VAL 31 HA VAL 31 9.584 22.026 20.377 769 HB VAL 31 HB VAL 31 9.674 20.121 18.987 770 HG11 VAL 31 HG11 VAL 31 12.007 19.937 18.430 771 HG12 VAL 31 HG12 VAL 31 11.680 21.604 18.924 772 HG13 VAL 31 HG13 VAL 31 12.493 20.491 20.040 773 HG21 VAL 31 HG21 VAL 31 9.541 18.322 20.681 774 HG22 VAL 31 HG22 VAL 31 10.770 18.083 19.450 775 HG23 VAL 31 HG23 VAL 31 11.249 18.622 21.079 776 H ARG 32 H ARG 32 7.635 21.063 19.662 777 HA ARG 32 HA ARG 32 6.120 19.347 21.566 778 HB2 ARG 32 HB2 ARG 32 5.249 21.998 20.381 779 HB3 ARG 32 HB3 ARG 32 4.074 20.756 20.839 780 HG2 ARG 32 HG2 ARG 32 4.821 20.765 23.138 781 HG3 ARG 32 HG3 ARG 32 6.178 21.854 22.753 782 HD2 ARG 32 HD2 ARG 32 4.293 23.035 23.844 783 HD3 ARG 32 HD3 ARG 32 4.658 23.670 22.243 784 HE ARG 32 HE ARG 32 2.379 21.774 22.809 785 HH11 ARG 32 HH11 ARG 32 3.503 24.611 20.967 786 HH12 ARG 32 HH12 ARG 32 1.880 24.867 20.359 787 HH21 ARG 32 HH21 ARG 32 0.542 22.085 21.876 788 HH22 ARG 32 HH22 ARG 32 0.241 23.449 20.804 789 H VAL 33 H VAL 33 4.669 17.973 20.668 790 HA VAL 33 HA VAL 33 4.657 17.562 17.687 791 HB VAL 33 HB VAL 33 5.164 15.486 19.866 792 HG11 VAL 33 HG11 VAL 33 3.913 14.474 18.029 793 HG12 VAL 33 HG12 VAL 33 5.040 15.168 16.843 794 HG13 VAL 33 HG13 VAL 33 5.583 13.922 17.978 795 HG21 VAL 33 HG21 VAL 33 7.189 16.804 19.531 796 HG22 VAL 33 HG22 VAL 33 7.396 15.202 18.830 797 HG23 VAL 33 HG23 VAL 33 7.074 16.600 17.778 798 H THR 34 H THR 34 2.573 17.178 16.920 799 HA THR 34 HA THR 34 0.493 16.276 18.892 800 HB THR 34 HB THR 34 0.087 18.392 16.785 801 HG1 THR 34 HG1 THR 34 1.304 19.151 18.511 802 HG21 THR 34 HG21 THR 34 -2.058 18.785 17.978 803 HG22 THR 34 HG22 THR 34 -1.984 17.186 17.228 804 HG23 THR 34 HG23 THR 34 -1.737 17.349 18.987 805 H THR 35 H THR 35 -0.863 14.779 18.352 806 HA THR 35 HA THR 35 -0.313 13.251 15.896 807 HB THR 35 HB THR 35 -1.444 11.430 16.976 808 HG1 THR 35 HG1 THR 35 -1.942 13.190 19.122 809 HG21 THR 35 HG21 THR 35 -0.068 11.057 18.918 810 HG22 THR 35 HG22 THR 35 0.908 11.839 17.666 811 HG23 THR 35 HG23 THR 35 0.322 12.780 19.060 812 H LEU 36 H LEU 36 -1.983 12.104 14.805 813 HA LEU 36 HA LEU 36 -4.157 13.407 13.636 814 HB2 LEU 36 HB2 LEU 36 -3.045 11.424 12.797 815 HB3 LEU 36 HB3 LEU 36 -3.487 10.506 14.234 816 HG LEU 36 HG LEU 36 -5.865 10.517 13.558 817 HD11 LEU 36 HD11 LEU 36 -5.935 12.620 12.248 818 HD12 LEU 36 HD12 LEU 36 -4.843 11.905 11.036 819 HD13 LEU 36 HD13 LEU 36 -6.474 11.240 11.279 820 HD21 LEU 36 HD21 LEU 36 -5.613 8.993 11.663 821 HD22 LEU 36 HD22 LEU 36 -3.979 9.615 11.329 822 HD23 LEU 36 HD23 LEU 36 -4.308 8.712 12.822 823 H PHE 37 H PHE 37 -4.050 11.884 16.807 824 HA PHE 37 HA PHE 37 -7.005 11.962 17.087 825 HB2 PHE 37 HB2 PHE 37 -4.931 10.541 18.789 826 HB3 PHE 37 HB3 PHE 37 -6.686 10.386 18.906 827 HD1 PHE 37 HD1 PHE 37 -3.710 9.135 17.280 828 HD2 PHE 37 HD2 PHE 37 -7.983 9.556 16.802 829 HE1 PHE 37 HE1 PHE 37 -3.674 7.497 15.426 830 HE2 PHE 37 HE2 PHE 37 -7.936 7.893 14.956 831 HZ PHE 37 HZ PHE 37 -5.773 6.883 14.244 832 H ASP 38 H ASP 38 -4.954 14.253 17.392 833 HA ASP 38 HA ASP 38 -4.730 16.157 18.506 834 HB2 ASP 38 HB2 ASP 38 -7.218 16.093 18.092 835 HB3 ASP 38 HB3 ASP 38 -7.426 15.623 19.780 836 H GLU 39 H GLU 39 -3.972 13.558 19.956 837 HA GLU 39 HA GLU 39 -3.408 14.620 22.676 838 HB2 GLU 39 HB2 GLU 39 -2.361 12.147 21.237 839 HB3 GLU 39 HB3 GLU 39 -1.988 12.603 22.890 840 HG2 GLU 39 HG2 GLU 39 -4.719 11.814 21.790 841 HG3 GLU 39 HG3 GLU 39 -3.687 10.853 22.840 842 H GLU 40 H GLU 40 -1.334 15.318 23.325 843 HA GLU 40 HA GLU 40 0.652 15.762 21.181 844 HB2 GLU 40 HB2 GLU 40 0.956 18.021 21.560 845 HB3 GLU 40 HB3 GLU 40 -0.789 17.837 21.573 846 HG2 GLU 40 HG2 GLU 40 -0.608 17.743 24.143 847 HG3 GLU 40 HG3 GLU 40 1.088 18.183 23.959 848 H HIS 41 H HIS 41 2.752 16.280 21.863 849 HA HIS 41 HA HIS 41 3.599 15.331 24.558 850 HB2 HIS 41 HB2 HIS 41 4.992 14.562 21.969 851 HB3 HIS 41 HB3 HIS 41 5.370 13.999 23.587 852 HD2 HIS 41 HD2 HIS 41 3.055 13.358 20.618 853 HE1 HIS 41 HE1 HIS 41 1.973 10.460 23.551 854 HE2 HIS 41 HE2 HIS 41 1.636 11.195 21.145 855 H ALA 42 H ALA 42 5.660 16.225 25.232 856 HA ALA 42 HA ALA 42 6.717 18.509 23.678 857 HB1 ALA 42 HB1 ALA 42 6.404 20.032 25.555 858 HB2 ALA 42 HB2 ALA 42 4.834 19.364 25.051 859 HB3 ALA 42 HB3 ALA 42 5.625 18.749 26.512 860 H PHE 43 H PHE 43 8.829 18.920 23.962 861 HA PHE 43 HA PHE 43 10.383 17.328 25.973 862 HB2 PHE 43 HB2 PHE 43 10.893 17.371 22.992 863 HB3 PHE 43 HB3 PHE 43 11.885 16.578 24.208 864 HD1 PHE 43 HD1 PHE 43 8.936 16.325 22.102 865 HD2 PHE 43 HD2 PHE 43 10.930 14.630 25.526 866 HE1 PHE 43 HE1 PHE 43 7.471 14.337 21.968 867 HE2 PHE 43 HE2 PHE 43 9.461 12.625 25.392 868 HZ PHE 43 HZ PHE 43 7.718 12.484 23.635 869 HA PRO 44 HA PRO 44 12.347 21.460 26.043 870 HB2 PRO 44 HB2 PRO 44 13.272 20.262 28.632 871 HB3 PRO 44 HB3 PRO 44 12.738 21.932 28.292 872 HG2 PRO 44 HG2 PRO 44 11.047 20.216 29.539 873 HG3 PRO 44 HG3 PRO 44 10.440 21.268 28.224 874 HD2 PRO 44 HD2 PRO 44 11.299 18.360 28.035 875 HD3 PRO 44 HD3 PRO 44 9.799 19.140 27.430 876 H GLY 45 H GLY 45 14.447 21.948 25.519 877 HA2 GLY 45 HA2 GLY 45 16.725 21.726 25.264 878 HA3 GLY 45 HA3 GLY 45 16.689 20.177 26.098 879 H LEU 46 H LEU 46 14.545 20.336 23.400 880 HA LEU 46 HA LEU 46 16.567 19.143 21.546 881 HB2 LEU 46 HB2 LEU 46 13.593 18.571 21.695 882 HB3 LEU 46 HB3 LEU 46 14.670 17.977 20.449 883 HG LEU 46 HG LEU 46 14.779 17.224 23.398 884 HD11 LEU 46 HD11 LEU 46 14.074 15.032 22.616 885 HD12 LEU 46 HD12 LEU 46 12.929 16.229 22.017 886 HD13 LEU 46 HD13 LEU 46 14.140 15.560 20.919 887 HD21 LEU 46 HD21 LEU 46 16.525 16.282 21.069 888 HD22 LEU 46 HD22 LEU 46 17.056 17.205 22.494 889 HD23 LEU 46 HD23 LEU 46 16.485 15.550 22.685 890 H ALA 47 H ALA 47 16.270 19.530 19.344 891 HA ALA 47 HA ALA 47 14.505 21.741 18.452 892 HB1 ALA 47 HB1 ALA 47 17.509 21.551 17.916 893 HB2 ALA 47 HB2 ALA 47 16.405 22.778 17.240 894 HB3 ALA 47 HB3 ALA 47 16.728 22.729 18.996 895 H ILE 48 H ILE 48 14.203 21.725 16.071 896 HA ILE 48 HA ILE 48 14.108 18.987 15.007 897 HB ILE 48 HB ILE 48 13.326 21.616 13.691 898 HG12 ILE 48 HG12 ILE 48 11.463 19.489 14.847 899 HG13 ILE 48 HG13 ILE 48 11.983 20.901 15.772 900 HG21 ILE 48 HG21 ILE 48 13.809 19.912 11.994 901 HG22 ILE 48 HG22 ILE 48 12.864 18.698 12.885 902 HG23 ILE 48 HG23 ILE 48 12.070 20.076 12.110 903 HD11 ILE 48 HD11 ILE 48 11.035 22.409 14.016 904 HD12 ILE 48 HD12 ILE 48 10.343 20.976 13.212 905 HD13 ILE 48 HD13 ILE 48 9.839 21.404 14.847 906 H GLY 49 H GLY 49 15.708 18.026 13.951 907 HA2 GLY 49 HA2 GLY 49 18.032 19.573 12.914 908 HA3 GLY 49 HA3 GLY 49 17.942 17.845 13.227 909 H ARG 50 H ARG 50 15.593 17.169 11.783 910 HA ARG 50 HA ARG 50 16.017 18.006 8.970 911 HB2 ARG 50 HB2 ARG 50 17.688 16.196 9.525 912 HB3 ARG 50 HB3 ARG 50 16.334 15.106 9.816 913 HG2 ARG 50 HG2 ARG 50 15.627 15.329 7.454 914 HG3 ARG 50 HG3 ARG 50 16.937 16.493 7.173 915 HD2 ARG 50 HD2 ARG 50 18.585 14.730 7.872 916 HD3 ARG 50 HD3 ARG 50 17.236 13.587 8.029 917 HE ARG 50 HE ARG 50 17.375 14.820 5.373 918 HH11 ARG 50 HH11 ARG 50 18.774 12.210 7.270 919 HH12 ARG 50 HH12 ARG 50 19.226 11.319 5.841 920 HH21 ARG 50 HH21 ARG 50 17.976 13.686 3.683 921 HH22 ARG 50 HH22 ARG 50 18.786 12.131 3.836 922 H VAL 51 H VAL 51 14.309 17.630 7.631 923 HA VAL 51 HA VAL 51 11.897 16.164 8.643 924 HB VAL 51 HB VAL 51 11.878 18.797 7.107 925 HG11 VAL 51 HG11 VAL 51 10.007 17.415 6.399 926 HG12 VAL 51 HG12 VAL 51 9.596 17.018 8.071 927 HG13 VAL 51 HG13 VAL 51 9.407 18.675 7.468 928 HG21 VAL 51 HG21 VAL 51 12.393 19.146 9.509 929 HG22 VAL 51 HG22 VAL 51 10.793 19.768 9.079 930 HG23 VAL 51 HG23 VAL 51 10.949 18.228 9.951 931 H ASP 52 H ASP 52 11.359 14.569 7.246 932 HA ASP 52 HA ASP 52 12.293 14.706 4.391 933 HB2 ASP 52 HB2 ASP 52 13.810 13.436 5.911 934 HB3 ASP 52 HB3 ASP 52 12.469 12.348 6.284 935 H LEU 53 H LEU 53 10.536 14.865 3.185 936 HA LEU 53 HA LEU 53 7.946 13.749 4.025 937 HB2 LEU 53 HB2 LEU 53 8.710 15.192 1.443 938 HB3 LEU 53 HB3 LEU 53 7.097 14.831 2.020 939 HG LEU 53 HG LEU 53 7.354 17.086 2.352 940 HD11 LEU 53 HD11 LEU 53 7.164 17.469 4.730 941 HD12 LEU 53 HD12 LEU 53 6.345 15.965 4.282 942 HD13 LEU 53 HD13 LEU 53 7.927 15.913 5.091 943 HD21 LEU 53 HD21 LEU 53 9.822 17.222 2.153 944 HD22 LEU 53 HD22 LEU 53 9.120 18.282 3.356 945 HD23 LEU 53 HD23 LEU 53 9.953 16.813 3.882 946 H ARG 54 H ARG 54 10.587 12.726 2.053 947 HA ARG 54 HA ARG 54 9.208 10.787 0.338 948 HB2 ARG 54 HB2 ARG 54 11.241 11.233 -0.542 949 HB3 ARG 54 HB3 ARG 54 11.960 11.662 0.988 950 HG2 ARG 54 HG2 ARG 54 12.151 9.160 1.499 951 HG3 ARG 54 HG3 ARG 54 11.649 8.882 -0.174 952 HD2 ARG 54 HD2 ARG 54 14.092 8.823 -0.011 953 HD3 ARG 54 HD3 ARG 54 13.606 10.245 -0.936 954 HE ARG 54 HE ARG 54 13.921 10.741 1.953 955 HH11 ARG 54 HH11 ARG 54 15.719 10.820 -1.073 956 HH12 ARG 54 HH12 ARG 54 16.812 12.025 -0.447 957 HH21 ARG 54 HH21 ARG 54 15.387 12.078 2.686 958 HH22 ARG 54 HH22 ARG 54 16.581 12.820 1.614 959 H SER 55 H SER 55 10.892 10.605 3.453 960 HA SER 55 HA SER 55 10.078 7.796 3.847 961 HB2 SER 55 HB2 SER 55 12.366 8.682 4.328 962 HB3 SER 55 HB3 SER 55 11.671 9.668 5.623 963 HG SER 55 HG SER 55 12.561 7.604 6.304 964 H GLY 56 H GLY 56 9.055 10.961 5.005 965 HA2 GLY 56 HA2 GLY 56 7.190 11.560 6.272 966 HA3 GLY 56 HA3 GLY 56 6.781 9.861 6.515 967 H VAL 57 H VAL 57 9.772 11.749 7.234 968 HA VAL 57 HA VAL 57 9.571 10.943 10.110 969 HB VAL 57 HB VAL 57 11.980 10.583 8.300 970 HG11 VAL 57 HG11 VAL 57 11.757 10.220 11.326 971 HG12 VAL 57 HG12 VAL 57 13.107 9.638 10.326 972 HG13 VAL 57 HG13 VAL 57 12.814 11.365 10.470 973 HG21 VAL 57 HG21 VAL 57 10.335 8.743 8.169 974 HG22 VAL 57 HG22 VAL 57 11.780 8.201 9.010 975 HG23 VAL 57 HG23 VAL 57 10.326 8.613 9.943 976 H ILE 58 H ILE 58 10.215 12.353 11.594 977 HA ILE 58 HA ILE 58 11.649 14.853 10.769 978 HB ILE 58 HB ILE 58 9.353 14.558 12.725 979 HG12 ILE 58 HG12 ILE 58 9.629 16.345 10.278 980 HG13 ILE 58 HG13 ILE 58 8.846 14.776 10.230 981 HG21 ILE 58 HG21 ILE 58 9.668 17.004 13.180 982 HG22 ILE 58 HG22 ILE 58 11.046 16.054 13.731 983 HG23 ILE 58 HG23 ILE 58 11.154 16.970 12.217 984 HD11 ILE 58 HD11 ILE 58 7.167 16.454 10.373 985 HD12 ILE 58 HD12 ILE 58 7.169 15.524 11.884 986 HD13 ILE 58 HD13 ILE 58 7.890 17.160 11.821 987 H SER 59 H SER 59 13.623 14.823 11.592 988 HA SER 59 HA SER 59 14.236 13.073 13.938 989 HB2 SER 59 HB2 SER 59 15.443 12.634 11.811 990 HB3 SER 59 HB3 SER 59 16.121 14.268 11.880 991 HG SER 59 HG SER 59 17.514 12.672 12.768 992 H LEU 60 H LEU 60 14.782 13.894 15.823 993 HA LEU 60 HA LEU 60 15.252 16.825 16.073 994 HB2 LEU 60 HB2 LEU 60 14.575 14.801 18.215 995 HB3 LEU 60 HB3 LEU 60 14.673 16.550 18.401 996 HG LEU 60 HG LEU 60 12.592 15.016 16.778 997 HD11 LEU 60 HD11 LEU 60 12.465 16.667 19.323 998 HD12 LEU 60 HD12 LEU 60 11.038 16.009 18.460 999 HD13 LEU 60 HD13 LEU 60 12.218 14.925 19.185 1000 HD21 LEU 60 HD21 LEU 60 12.999 17.096 15.620 1001 HD22 LEU 60 HD22 LEU 60 11.480 17.236 16.517 1002 HD23 LEU 60 HD23 LEU 60 12.939 18.017 17.150 1003 H ILE 61 H ILE 61 16.835 17.680 17.353 1004 HA ILE 61 HA ILE 61 19.204 15.991 18.042 1005 HB ILE 61 HB ILE 61 20.720 17.645 17.170 1006 HG12 ILE 61 HG12 ILE 61 19.325 19.303 15.396 1007 HG13 ILE 61 HG13 ILE 61 18.303 19.323 16.827 1008 HG21 ILE 61 HG21 ILE 61 18.749 16.792 15.026 1009 HG22 ILE 61 HG22 ILE 61 20.444 17.266 14.786 1010 HG23 ILE 61 HG23 ILE 61 20.057 15.805 15.716 1011 HD11 ILE 61 HD11 ILE 61 20.225 20.033 18.203 1012 HD12 ILE 61 HD12 ILE 61 21.277 19.992 16.769 1013 HD13 ILE 61 HD13 ILE 61 19.936 21.147 16.864 1014 H GLU 62 H GLU 62 20.658 16.969 19.583 1015 HA GLU 62 HA GLU 62 19.208 18.037 21.865 1016 HB2 GLU 62 HB2 GLU 62 22.167 17.513 21.413 1017 HB3 GLU 62 HB3 GLU 62 21.435 17.976 22.955 1018 HG2 GLU 62 HG2 GLU 62 20.072 15.929 22.972 1019 HG3 GLU 62 HG3 GLU 62 20.721 15.446 21.408 1020 H GLU 63 H GLU 63 18.789 20.084 22.315 1021 HA GLU 63 HA GLU 63 19.841 22.321 20.845 1022 HB2 GLU 63 HB2 GLU 63 17.611 22.187 21.916 1023 HB3 GLU 63 HB3 GLU 63 18.377 22.282 23.514 1024 HG2 GLU 63 HG2 GLU 63 18.830 24.404 21.404 1025 HG3 GLU 63 HG3 GLU 63 17.367 24.396 22.396 1026 H GLN 64 H GLN 64 21.572 23.560 21.171 1027 HA GLN 64 HA GLN 64 23.206 23.415 23.629 1028 HB2 GLN 64 HB2 GLN 64 25.162 22.561 22.430 1029 HB3 GLN 64 HB3 GLN 64 23.811 21.438 22.340 1030 HG2 GLN 64 HG2 GLN 64 23.306 22.446 20.007 1031 HG3 GLN 64 HG3 GLN 64 24.880 23.232 20.115 1032 HE21 GLN 64 HE21 GLN 64 23.211 20.042 20.090 1033 HE22 GLN 64 HE22 GLN 64 24.640 19.156 19.545 1034 H ASN 65 H ASN 65 21.742 25.603 22.269 1035 HA ASN 65 HA ASN 65 23.828 27.289 21.033 1036 HB2 ASN 65 HB2 ASN 65 21.367 27.022 20.266 1037 HB3 ASN 65 HB3 ASN 65 20.949 28.061 21.625 1038 HD21 ASN 65 HD21 ASN 65 20.190 29.759 20.189 1039 HD22 ASN 65 HD22 ASN 65 21.255 30.550 19.057 1040 H ARG 66 H ARG 66 22.959 26.663 24.178 1041 HA ARG 66 HA ARG 66 24.017 29.222 25.252 1042 HB2 ARG 66 HB2 ARG 66 22.292 29.246 26.960 1043 HB3 ARG 66 HB3 ARG 66 21.595 29.314 25.343 1044 HG2 ARG 66 HG2 ARG 66 21.102 26.833 25.503 1045 HG3 ARG 66 HG3 ARG 66 21.644 26.880 27.187 1046 HD2 ARG 66 HD2 ARG 66 19.390 28.566 25.991 1047 HD3 ARG 66 HD3 ARG 66 19.146 27.050 26.861 1048 HE ARG 66 HE ARG 66 19.768 29.679 27.986 1049 HH11 ARG 66 HH11 ARG 66 19.741 26.257 28.730 1050 HH12 ARG 66 HH12 ARG 66 19.722 26.543 30.450 1051 HH21 ARG 66 HH21 ARG 66 19.760 29.962 30.181 1052 HH22 ARG 66 HH22 ARG 66 19.742 28.590 31.241 Start of MODEL 20 1 H1 GLY -3 H1 GLY -3 0.914 -3.957 -1.750 2 H2 GLY -3 H2 GLY -3 0.689 -2.633 -0.808 3 H3 GLY -3 H3 GLY -3 1.955 -3.640 -0.529 4 HA2 GLY -3 HA2 GLY -3 2.957 -3.073 -2.636 5 HA3 GLY -3 HA3 GLY -3 1.592 -1.980 -2.944 6 HA PRO -2 HA PRO -2 5.108 0.251 -0.660 7 HB2 PRO -2 HB2 PRO -2 5.963 1.919 -2.670 8 HB3 PRO -2 HB3 PRO -2 6.587 0.256 -2.455 9 HG2 PRO -2 HG2 PRO -2 4.368 1.181 -4.313 10 HG3 PRO -2 HG3 PRO -2 5.797 0.164 -4.714 11 HD2 PRO -2 HD2 PRO -2 3.380 -0.946 -4.175 12 HD3 PRO -2 HD3 PRO -2 4.885 -1.708 -3.588 13 H GLY -1 H GLY -1 5.060 2.423 0.072 14 HA2 GLY -1 HA2 GLY -1 2.456 3.679 0.164 15 HA3 GLY -1 HA3 GLY -1 3.942 4.299 0.866 16 H SER 0 H SER 0 1.839 5.744 -0.545 17 HA SER 0 HA SER 0 2.864 6.676 -3.116 18 HB2 SER 0 HB2 SER 0 1.073 8.363 -2.919 19 HB3 SER 0 HB3 SER 0 0.490 6.714 -2.701 20 HG SER 0 HG SER 0 -0.400 8.116 -1.143 21 H MET 1 H MET 1 3.533 8.869 -3.551 22 HA MET 1 HA MET 1 5.561 9.829 -1.711 23 HB2 MET 1 HB2 MET 1 4.495 10.965 -4.328 24 HB3 MET 1 HB3 MET 1 5.851 11.646 -3.416 25 HG2 MET 1 HG2 MET 1 7.045 9.461 -3.602 26 HG3 MET 1 HG3 MET 1 5.732 8.854 -4.609 27 HE1 MET 1 HE1 MET 1 8.869 11.158 -4.338 28 HE2 MET 1 HE2 MET 1 8.846 12.084 -5.853 29 HE3 MET 1 HE3 MET 1 7.642 12.424 -4.594 30 H CYS 2 H CYS 2 5.725 11.822 -0.724 31 HA CYS 2 HA CYS 2 3.391 13.621 -0.519 32 HB2 CYS 2 HB2 CYS 2 4.666 12.106 1.761 33 HB3 CYS 2 HB3 CYS 2 3.910 13.671 2.032 34 H MET 3 H MET 3 3.917 15.723 0.141 35 HA MET 3 HA MET 3 6.703 16.598 0.429 36 HB2 MET 3 HB2 MET 3 6.710 17.936 -1.623 37 HB3 MET 3 HB3 MET 3 6.543 16.233 -1.982 38 HG2 MET 3 HG2 MET 3 5.092 17.270 -3.464 39 HG3 MET 3 HG3 MET 3 4.030 16.625 -2.225 40 HE1 MET 3 HE1 MET 3 2.092 19.803 -3.407 41 HE2 MET 3 HE2 MET 3 3.045 18.678 -4.398 42 HE3 MET 3 HE3 MET 3 2.013 18.058 -3.097 43 H ALA 4 H ALA 4 6.790 19.021 0.465 44 HA ALA 4 HA ALA 4 4.257 20.351 1.304 45 HB1 ALA 4 HB1 ALA 4 5.521 21.401 3.219 46 HB2 ALA 4 HB2 ALA 4 5.346 19.663 3.379 47 HB3 ALA 4 HB3 ALA 4 6.896 20.367 2.849 48 H LYS 5 H LYS 5 5.009 22.789 1.824 49 HA LYS 5 HA LYS 5 7.023 23.751 -0.131 50 HB2 LYS 5 HB2 LYS 5 5.809 25.779 -0.566 51 HB3 LYS 5 HB3 LYS 5 4.854 24.365 -1.013 52 HG2 LYS 5 HG2 LYS 5 3.609 24.623 1.199 53 HG3 LYS 5 HG3 LYS 5 4.501 26.141 1.440 54 HD2 LYS 5 HD2 LYS 5 3.568 26.993 -0.728 55 HD3 LYS 5 HD3 LYS 5 2.658 25.485 -0.899 56 HE2 LYS 5 HE2 LYS 5 1.141 27.116 -0.041 57 HE3 LYS 5 HE3 LYS 5 1.482 25.965 1.257 58 HZ1 LYS 5 HZ1 LYS 5 1.563 28.341 1.953 59 HZ2 LYS 5 HZ2 LYS 5 2.991 27.594 2.236 60 HZ3 LYS 5 HZ3 LYS 5 2.846 28.600 0.958 61 H VAL 6 H VAL 6 8.594 24.950 0.652 62 HA VAL 6 HA VAL 6 8.725 25.645 3.539 63 HB VAL 6 HB VAL 6 10.700 25.503 1.279 64 HG11 VAL 6 HG11 VAL 6 11.200 27.754 2.090 65 HG12 VAL 6 HG12 VAL 6 11.181 27.175 3.778 66 HG13 VAL 6 HG13 VAL 6 12.435 26.628 2.649 67 HG21 VAL 6 HG21 VAL 6 11.975 24.236 2.893 68 HG22 VAL 6 HG22 VAL 6 10.925 24.744 4.220 69 HG23 VAL 6 HG23 VAL 6 10.311 23.656 2.969 70 H VAL 7 H VAL 7 8.637 27.727 4.338 71 HA VAL 7 HA VAL 7 8.735 29.971 2.413 72 HB VAL 7 HB VAL 7 6.371 29.536 2.763 73 HG11 VAL 7 HG11 VAL 7 6.397 28.674 5.073 74 HG12 VAL 7 HG12 VAL 7 6.832 30.294 5.675 75 HG13 VAL 7 HG13 VAL 7 5.269 30.016 4.889 76 HG21 VAL 7 HG21 VAL 7 7.230 32.159 4.023 77 HG22 VAL 7 HG22 VAL 7 7.175 31.825 2.273 78 HG23 VAL 7 HG23 VAL 7 5.682 31.797 3.242 79 H LEU 8 H LEU 8 9.722 31.767 3.057 80 HA LEU 8 HA LEU 8 10.655 32.251 5.810 81 HB2 LEU 8 HB2 LEU 8 13.000 32.164 5.268 82 HB3 LEU 8 HB3 LEU 8 12.258 30.631 4.878 83 HG LEU 8 HG LEU 8 12.079 31.993 2.439 84 HD11 LEU 8 HD11 LEU 8 14.805 32.572 3.682 85 HD12 LEU 8 HD12 LEU 8 14.357 32.831 1.984 86 HD13 LEU 8 HD13 LEU 8 13.586 33.792 3.251 87 HD21 LEU 8 HD21 LEU 8 13.808 30.495 1.660 88 HD22 LEU 8 HD22 LEU 8 14.327 30.153 3.326 89 HD23 LEU 8 HD23 LEU 8 12.723 29.631 2.746 90 H THR 9 H THR 9 12.032 34.354 5.802 91 HA THR 9 HA THR 9 11.242 36.195 3.589 92 HB THR 9 HB THR 9 11.022 37.039 6.498 93 HG1 THR 9 HG1 THR 9 9.413 35.548 6.146 94 HG21 THR 9 HG21 THR 9 9.680 38.875 5.576 95 HG22 THR 9 HG22 THR 9 11.291 38.879 4.849 96 HG23 THR 9 HG23 THR 9 9.894 38.250 3.935 97 H LYS 10 H LYS 10 12.741 37.547 2.915 98 HA LYS 10 HA LYS 10 15.511 37.302 3.753 99 HB2 LYS 10 HB2 LYS 10 14.082 39.191 1.811 100 HB3 LYS 10 HB3 LYS 10 15.834 39.095 2.002 101 HG2 LYS 10 HG2 LYS 10 15.882 36.799 1.205 102 HG3 LYS 10 HG3 LYS 10 14.119 36.728 1.152 103 HD2 LYS 10 HD2 LYS 10 15.001 37.055 -1.096 104 HD3 LYS 10 HD3 LYS 10 14.075 38.471 -0.592 105 HE2 LYS 10 HE2 LYS 10 16.249 39.615 0.006 106 HE3 LYS 10 HE3 LYS 10 17.126 38.191 -0.573 107 HZ1 LYS 10 HZ1 LYS 10 15.348 39.891 -2.249 108 HZ2 LYS 10 HZ2 LYS 10 16.972 39.952 -2.246 109 HZ3 LYS 10 HZ3 LYS 10 16.214 38.607 -2.783 110 H ALA 11 H ALA 11 16.889 39.153 4.168 111 HA ALA 11 HA ALA 11 16.140 40.808 6.403 112 HB1 ALA 11 HB1 ALA 11 18.478 41.033 4.442 113 HB2 ALA 11 HB2 ALA 11 18.367 41.820 6.024 114 HB3 ALA 11 HB3 ALA 11 18.461 40.053 5.922 115 H ASP 12 H ASP 12 15.949 41.306 2.923 116 HA ASP 12 HA ASP 12 15.459 44.142 2.914 117 HB2 ASP 12 HB2 ASP 12 14.719 41.945 0.932 118 HB3 ASP 12 HB3 ASP 12 14.728 43.672 0.610 119 H GLY 13 H GLY 13 13.522 41.650 4.130 120 HA2 GLY 13 HA2 GLY 13 11.334 41.668 4.896 121 HA3 GLY 13 HA3 GLY 13 11.013 43.194 4.075 122 H GLY 14 H GLY 14 12.472 41.017 1.919 123 HA2 GLY 14 HA2 GLY 14 9.972 40.603 0.410 124 HA3 GLY 14 HA3 GLY 14 11.615 40.199 -0.097 125 H ARG 15 H ARG 15 8.731 38.797 0.572 126 HA ARG 15 HA ARG 15 9.637 36.484 2.126 127 HB2 ARG 15 HB2 ARG 15 7.276 37.492 2.073 128 HB3 ARG 15 HB3 ARG 15 7.062 36.630 0.542 129 HG2 ARG 15 HG2 ARG 15 7.590 34.478 1.738 130 HG3 ARG 15 HG3 ARG 15 7.883 35.397 3.216 131 HD2 ARG 15 HD2 ARG 15 5.709 34.496 3.438 132 HD3 ARG 15 HD3 ARG 15 5.505 36.226 3.108 133 HE ARG 15 HE ARG 15 5.460 34.791 0.621 134 HH11 ARG 15 HH11 ARG 15 3.417 35.175 3.423 135 HH12 ARG 15 HH12 ARG 15 1.968 34.711 2.557 136 HH21 ARG 15 HH21 ARG 15 3.585 34.218 -0.438 137 HH22 ARG 15 HH22 ARG 15 2.070 34.227 0.419 138 H VAL 16 H VAL 16 10.051 34.445 1.452 139 HA VAL 16 HA VAL 16 10.294 33.842 -1.458 140 HB VAL 16 HB VAL 16 12.387 33.421 0.697 141 HG11 VAL 16 HG11 VAL 16 12.294 31.326 -0.608 142 HG12 VAL 16 HG12 VAL 16 12.357 32.255 -2.129 143 HG13 VAL 16 HG13 VAL 16 13.740 32.238 -1.015 144 HG21 VAL 16 HG21 VAL 16 12.474 35.610 -0.406 145 HG22 VAL 16 HG22 VAL 16 13.860 34.622 -0.862 146 HG23 VAL 16 HG23 VAL 16 12.501 34.825 -2.001 147 H GLU 17 H GLU 17 9.558 31.890 -2.047 148 HA GLU 17 HA GLU 17 8.735 29.916 0.010 149 HB2 GLU 17 HB2 GLU 17 6.884 31.499 -0.335 150 HB3 GLU 17 HB3 GLU 17 6.939 31.218 -2.082 151 HG2 GLU 17 HG2 GLU 17 6.246 28.919 -1.772 152 HG3 GLU 17 HG3 GLU 17 6.385 29.065 -0.017 153 H ILE 18 H ILE 18 8.921 27.846 -0.617 154 HA ILE 18 HA ILE 18 9.814 27.244 -3.424 155 HB ILE 18 HB ILE 18 11.136 26.338 -0.848 156 HG12 ILE 18 HG12 ILE 18 12.181 28.117 -3.089 157 HG13 ILE 18 HG13 ILE 18 11.665 28.680 -1.504 158 HG21 ILE 18 HG21 ILE 18 11.116 24.540 -2.584 159 HG22 ILE 18 HG22 ILE 18 11.861 25.662 -3.739 160 HG23 ILE 18 HG23 ILE 18 12.725 25.131 -2.278 161 HD11 ILE 18 HD11 ILE 18 14.037 28.578 -1.510 162 HD12 ILE 18 HD12 ILE 18 13.461 27.298 -0.432 163 HD13 ILE 18 HD13 ILE 18 14.051 26.914 -2.073 164 H GLY 19 H GLY 19 8.313 26.008 -4.220 165 HA2 GLY 19 HA2 GLY 19 6.627 24.205 -2.639 166 HA3 GLY 19 HA3 GLY 19 6.553 24.487 -4.378 167 H ASP 20 H ASP 20 6.217 22.008 -3.303 168 HA ASP 20 HA ASP 20 6.801 19.852 -3.457 169 HB2 ASP 20 HB2 ASP 20 8.395 20.724 -5.869 170 HB3 ASP 20 HB3 ASP 20 7.769 19.116 -5.551 171 H VAL 21 H VAL 21 8.372 21.129 -1.541 172 HA VAL 21 HA VAL 21 11.072 19.988 -1.612 173 HB VAL 21 HB VAL 21 10.979 21.869 -0.275 174 HG11 VAL 21 HG11 VAL 21 8.677 22.225 0.159 175 HG12 VAL 21 HG12 VAL 21 8.547 20.728 1.119 176 HG13 VAL 21 HG13 VAL 21 9.472 22.110 1.713 177 HG21 VAL 21 HG21 VAL 21 11.617 21.138 1.940 178 HG22 VAL 21 HG22 VAL 21 10.834 19.571 1.711 179 HG23 VAL 21 HG23 VAL 21 12.269 20.014 0.736 180 H LEU 22 H LEU 22 11.646 17.997 -1.212 181 HA LEU 22 HA LEU 22 9.704 16.033 -0.067 182 HB2 LEU 22 HB2 LEU 22 12.445 15.701 -1.363 183 HB3 LEU 22 HB3 LEU 22 11.502 14.377 -0.684 184 HG LEU 22 HG LEU 22 10.682 16.090 -3.070 185 HD11 LEU 22 HD11 LEU 22 11.620 13.196 -2.847 186 HD12 LEU 22 HD12 LEU 22 11.062 13.990 -4.333 187 HD13 LEU 22 HD13 LEU 22 12.546 14.549 -3.538 188 HD21 LEU 22 HD21 LEU 22 9.339 13.637 -1.851 189 HD22 LEU 22 HD22 LEU 22 8.685 15.285 -1.882 190 HD23 LEU 22 HD23 LEU 22 8.894 14.403 -3.391 191 H GLU 23 H GLU 23 12.804 17.656 0.663 192 HA GLU 23 HA GLU 23 12.641 16.731 3.438 193 HB2 GLU 23 HB2 GLU 23 14.735 15.536 3.438 194 HB3 GLU 23 HB3 GLU 23 13.651 14.819 2.248 195 HG2 GLU 23 HG2 GLU 23 14.870 16.134 0.457 196 HG3 GLU 23 HG3 GLU 23 16.023 16.653 1.700 197 H VAL 24 H VAL 24 14.187 17.597 4.858 198 HA VAL 24 HA VAL 24 15.735 19.964 3.991 199 HB VAL 24 HB VAL 24 13.784 20.121 6.312 200 HG11 VAL 24 HG11 VAL 24 15.433 22.282 4.936 201 HG12 VAL 24 HG12 VAL 24 14.239 22.565 6.206 202 HG13 VAL 24 HG13 VAL 24 15.703 21.658 6.576 203 HG21 VAL 24 HG21 VAL 24 12.416 20.112 4.305 204 HG22 VAL 24 HG22 VAL 24 12.498 21.753 4.936 205 HG23 VAL 24 HG23 VAL 24 13.489 21.305 3.530 206 H ARG 25 H ARG 25 17.436 20.496 5.367 207 HA ARG 25 HA ARG 25 17.948 18.804 7.792 208 HB2 ARG 25 HB2 ARG 25 20.031 19.766 5.774 209 HB3 ARG 25 HB3 ARG 25 20.360 18.891 7.262 210 HG2 ARG 25 HG2 ARG 25 18.848 17.775 4.861 211 HG3 ARG 25 HG3 ARG 25 20.539 17.484 5.240 212 HD2 ARG 25 HD2 ARG 25 19.918 16.408 7.364 213 HD3 ARG 25 HD3 ARG 25 18.210 16.684 7.039 214 HE ARG 25 HE ARG 25 19.966 14.691 5.776 215 HH11 ARG 25 HH11 ARG 25 19.184 13.342 4.192 216 HH12 ARG 25 HH12 ARG 25 17.600 13.633 3.511 217 HH21 ARG 25 HH21 ARG 25 16.779 16.236 5.559 218 HH22 ARG 25 HH22 ARG 25 16.274 15.072 4.350 219 H ALA 26 H ALA 26 18.719 19.872 9.550 220 HA ALA 26 HA ALA 26 19.371 22.776 9.280 221 HB1 ALA 26 HB1 ALA 26 18.827 22.996 11.637 222 HB2 ALA 26 HB2 ALA 26 17.442 22.314 10.756 223 HB3 ALA 26 HB3 ALA 26 18.473 21.262 11.751 224 H GLU 27 H GLU 27 21.337 23.409 9.645 225 HA GLU 27 HA GLU 27 23.427 21.580 10.772 226 HB2 GLU 27 HB2 GLU 27 23.719 24.017 8.966 227 HB3 GLU 27 HB3 GLU 27 25.046 23.031 9.623 228 HG2 GLU 27 HG2 GLU 27 24.053 21.042 8.410 229 HG3 GLU 27 HG3 GLU 27 22.917 22.145 7.623 230 H GLY 28 H GLY 28 25.195 22.912 11.921 231 HA2 GLY 28 HA2 GLY 28 24.106 24.446 14.126 232 HA3 GLY 28 HA3 GLY 28 25.806 24.113 13.786 233 H GLY 29 H GLY 29 23.127 26.018 12.368 234 HA2 GLY 29 HA2 GLY 29 23.497 28.559 12.633 235 HA3 GLY 29 HA3 GLY 29 24.979 28.292 11.734 236 H ALA 30 H ALA 30 22.498 26.253 10.480 237 HA ALA 30 HA ALA 30 21.395 28.175 8.568 238 HB1 ALA 30 HB1 ALA 30 23.743 27.813 7.726 239 HB2 ALA 30 HB2 ALA 30 23.418 26.069 7.654 240 HB3 ALA 30 HB3 ALA 30 22.526 27.194 6.603 241 H VAL 31 H VAL 31 20.015 27.119 6.929 242 HA VAL 31 HA VAL 31 19.465 24.219 7.375 243 HB VAL 31 HB VAL 31 17.132 24.451 6.690 244 HG11 VAL 31 HG11 VAL 31 16.251 25.324 8.813 245 HG12 VAL 31 HG12 VAL 31 17.633 24.244 9.042 246 HG13 VAL 31 HG13 VAL 31 17.840 26.005 9.188 247 HG21 VAL 31 HG21 VAL 31 17.540 27.442 7.006 248 HG22 VAL 31 HG22 VAL 31 17.182 26.579 5.488 249 HG23 VAL 31 HG23 VAL 31 15.992 26.611 6.793 250 H ARG 32 H ARG 32 18.835 23.001 5.622 251 HA ARG 32 HA ARG 32 19.402 24.074 2.882 252 HB2 ARG 32 HB2 ARG 32 20.548 21.571 4.185 253 HB3 ARG 32 HB3 ARG 32 20.621 21.916 2.450 254 HG2 ARG 32 HG2 ARG 32 22.005 23.853 2.775 255 HG3 ARG 32 HG3 ARG 32 21.760 23.826 4.524 256 HD2 ARG 32 HD2 ARG 32 23.948 22.989 4.100 257 HD3 ARG 32 HD3 ARG 32 22.941 21.649 4.669 258 HE ARG 32 HE ARG 32 22.876 21.645 1.810 259 HH11 ARG 32 HH11 ARG 32 25.213 20.949 4.371 260 HH12 ARG 32 HH12 ARG 32 26.145 19.927 3.303 261 HH21 ARG 32 HH21 ARG 32 24.014 20.387 0.611 262 HH22 ARG 32 HH22 ARG 32 25.479 19.589 1.181 263 H VAL 33 H VAL 33 17.835 23.688 1.572 264 HA VAL 33 HA VAL 33 15.688 21.681 2.184 265 HB VAL 33 HB VAL 33 15.669 24.296 0.606 266 HG11 VAL 33 HG11 VAL 33 14.013 22.795 -0.361 267 HG12 VAL 33 HG12 VAL 33 13.377 22.424 1.263 268 HG13 VAL 33 HG13 VAL 33 13.197 24.043 0.566 269 HG21 VAL 33 HG21 VAL 33 14.262 25.172 2.406 270 HG22 VAL 33 HG22 VAL 33 14.371 23.636 3.288 271 HG23 VAL 33 HG23 VAL 33 15.809 24.660 3.053 272 H THR 34 H THR 34 15.159 20.119 0.659 273 HA THR 34 HA THR 34 16.367 20.351 -2.077 274 HB THR 34 HB THR 34 16.226 17.836 -0.414 275 HG1 THR 34 HG1 THR 34 17.919 19.195 0.152 276 HG21 THR 34 HG21 THR 34 17.564 16.852 -2.299 277 HG22 THR 34 HG22 THR 34 15.902 17.238 -2.754 278 HG23 THR 34 HG23 THR 34 17.224 18.312 -3.258 279 H THR 35 H THR 35 15.043 20.177 -3.725 280 HA THR 35 HA THR 35 12.200 19.516 -3.231 281 HB THR 35 HB THR 35 11.692 20.592 -5.280 282 HG1 THR 35 HG1 THR 35 13.367 21.470 -6.574 283 HG21 THR 35 HG21 THR 35 13.820 22.285 -3.904 284 HG22 THR 35 HG22 THR 35 12.472 22.855 -4.901 285 HG23 THR 35 HG23 THR 35 12.150 22.075 -3.339 286 H LEU 36 H LEU 36 10.950 18.444 -4.891 287 HA LEU 36 HA LEU 36 11.672 15.816 -5.559 288 HB2 LEU 36 HB2 LEU 36 9.428 16.699 -5.394 289 HB3 LEU 36 HB3 LEU 36 9.656 17.778 -6.761 290 HG LEU 36 HG LEU 36 9.969 14.797 -7.204 291 HD11 LEU 36 HD11 LEU 36 7.899 15.010 -5.874 292 HD12 LEU 36 HD12 LEU 36 7.316 16.275 -6.982 293 HD13 LEU 36 HD13 LEU 36 7.530 14.603 -7.559 294 HD21 LEU 36 HD21 LEU 36 10.330 16.380 -9.131 295 HD22 LEU 36 HD22 LEU 36 8.934 15.337 -9.376 296 HD23 LEU 36 HD23 LEU 36 8.702 17.025 -8.877 297 H PHE 37 H PHE 37 12.382 18.765 -7.320 298 HA PHE 37 HA PHE 37 13.217 17.398 -9.774 299 HB2 PHE 37 HB2 PHE 37 13.418 20.334 -9.011 300 HB3 PHE 37 HB3 PHE 37 13.543 19.649 -10.632 301 HD1 PHE 37 HD1 PHE 37 11.272 20.921 -8.098 302 HD2 PHE 37 HD2 PHE 37 11.486 18.440 -11.624 303 HE1 PHE 37 HE1 PHE 37 8.806 21.055 -8.352 304 HE2 PHE 37 HE2 PHE 37 9.026 18.577 -11.866 305 HZ PHE 37 HZ PHE 37 7.683 19.878 -10.223 306 H ASP 38 H ASP 38 14.713 17.334 -6.964 307 HA ASP 38 HA ASP 38 16.767 17.093 -6.173 308 HB2 ASP 38 HB2 ASP 38 17.818 16.866 -9.010 309 HB3 ASP 38 HB3 ASP 38 18.570 16.287 -7.521 310 H GLU 39 H GLU 39 15.836 19.890 -7.085 311 HA GLU 39 HA GLU 39 18.384 21.371 -7.196 312 HB2 GLU 39 HB2 GLU 39 15.521 22.336 -6.803 313 HB3 GLU 39 HB3 GLU 39 16.929 23.376 -6.959 314 HG2 GLU 39 HG2 GLU 39 15.830 21.472 -9.080 315 HG3 GLU 39 HG3 GLU 39 15.648 23.222 -9.060 316 H GLU 40 H GLU 40 19.365 22.391 -5.534 317 HA GLU 40 HA GLU 40 18.334 21.947 -2.766 318 HB2 GLU 40 HB2 GLU 40 20.318 20.639 -3.214 319 HB3 GLU 40 HB3 GLU 40 21.189 22.085 -3.758 320 HG2 GLU 40 HG2 GLU 40 21.046 23.046 -1.492 321 HG3 GLU 40 HG3 GLU 40 20.059 21.688 -0.954 322 H HIS 41 H HIS 41 18.162 23.640 -1.412 323 HA HIS 41 HA HIS 41 19.121 26.361 -2.251 324 HB2 HIS 41 HB2 HIS 41 16.397 25.774 -1.027 325 HB3 HIS 41 HB3 HIS 41 17.006 27.311 -1.639 326 HD2 HIS 41 HD2 HIS 41 15.450 23.993 -2.745 327 HE1 HIS 41 HE1 HIS 41 15.707 26.388 -6.270 328 HE2 HIS 41 HE2 HIS 41 14.789 24.225 -5.283 329 H ALA 42 H ALA 42 20.287 27.324 -0.655 330 HA ALA 42 HA ALA 42 20.086 26.221 2.115 331 HB1 ALA 42 HB1 ALA 42 22.491 26.596 2.291 332 HB2 ALA 42 HB2 ALA 42 22.134 25.561 0.895 333 HB3 ALA 42 HB3 ALA 42 22.524 27.285 0.654 334 H PHE 43 H PHE 43 19.997 27.519 3.837 335 HA PHE 43 HA PHE 43 20.013 30.485 3.464 336 HB2 PHE 43 HB2 PHE 43 17.809 28.867 4.793 337 HB3 PHE 43 HB3 PHE 43 17.936 30.622 4.731 338 HD1 PHE 43 HD1 PHE 43 16.937 27.618 2.895 339 HD2 PHE 43 HD2 PHE 43 17.774 31.840 2.545 340 HE1 PHE 43 HE1 PHE 43 15.852 27.652 0.665 341 HE2 PHE 43 HE2 PHE 43 16.683 31.869 0.312 342 HZ PHE 43 HZ PHE 43 15.746 29.775 -0.638 343 HA PRO 44 HA PRO 44 22.478 29.701 7.252 344 HB2 PRO 44 HB2 PRO 44 23.516 32.377 6.373 345 HB3 PRO 44 HB3 PRO 44 24.419 30.983 7.031 346 HG2 PRO 44 HG2 PRO 44 24.478 31.494 4.372 347 HG3 PRO 44 HG3 PRO 44 24.273 29.808 4.940 348 HD2 PRO 44 HD2 PRO 44 22.121 31.750 4.035 349 HD3 PRO 44 HD3 PRO 44 22.380 30.045 3.550 350 H GLY 45 H GLY 45 22.153 30.534 9.276 351 HA2 GLY 45 HA2 GLY 45 21.457 31.946 10.972 352 HA3 GLY 45 HA3 GLY 45 20.965 33.155 9.773 353 H LEU 46 H LEU 46 19.457 30.297 8.897 354 HA LEU 46 HA LEU 46 17.016 30.857 10.513 355 HB2 LEU 46 HB2 LEU 46 17.225 29.537 7.795 356 HB3 LEU 46 HB3 LEU 46 15.743 29.781 8.727 357 HG LEU 46 HG LEU 46 17.478 31.914 7.435 358 HD11 LEU 46 HD11 LEU 46 15.528 32.294 6.046 359 HD12 LEU 46 HD12 LEU 46 15.926 30.562 5.982 360 HD13 LEU 46 HD13 LEU 46 14.571 31.127 6.978 361 HD21 LEU 46 HD21 LEU 46 15.673 33.519 8.154 362 HD22 LEU 46 HD22 LEU 46 15.004 32.249 9.197 363 HD23 LEU 46 HD23 LEU 46 16.631 32.894 9.497 364 H ALA 47 H ALA 47 15.732 29.102 11.114 365 HA ALA 47 HA ALA 47 16.858 26.358 11.194 366 HB1 ALA 47 HB1 ALA 47 15.821 27.940 13.582 367 HB2 ALA 47 HB2 ALA 47 16.193 26.205 13.585 368 HB3 ALA 47 HB3 ALA 47 17.491 27.377 13.320 369 H ILE 48 H ILE 48 15.142 24.754 11.665 370 HA ILE 48 HA ILE 48 12.670 25.373 10.248 371 HB ILE 48 HB ILE 48 13.435 22.843 11.729 372 HG12 ILE 48 HG12 ILE 48 13.788 23.479 8.766 373 HG13 ILE 48 HG13 ILE 48 15.085 23.389 9.958 374 HG21 ILE 48 HG21 ILE 48 11.694 21.781 10.292 375 HG22 ILE 48 HG22 ILE 48 10.994 23.046 11.295 376 HG23 ILE 48 HG23 ILE 48 11.335 23.371 9.580 377 HD11 ILE 48 HD11 ILE 48 13.393 21.098 8.969 378 HD12 ILE 48 HD12 ILE 48 15.136 21.315 8.819 379 HD13 ILE 48 HD13 ILE 48 14.439 20.984 10.406 380 H GLY 49 H GLY 49 10.996 26.374 11.154 381 HA2 GLY 49 HA2 GLY 49 10.696 26.540 14.101 382 HA3 GLY 49 HA3 GLY 49 9.928 27.555 12.880 383 H ARG 50 H ARG 50 8.819 25.531 11.229 384 HA ARG 50 HA ARG 50 7.011 23.893 12.942 385 HB2 ARG 50 HB2 ARG 50 6.099 25.933 10.879 386 HB3 ARG 50 HB3 ARG 50 5.087 24.643 11.478 387 HG2 ARG 50 HG2 ARG 50 5.132 25.540 13.735 388 HG3 ARG 50 HG3 ARG 50 6.294 26.781 13.270 389 HD2 ARG 50 HD2 ARG 50 4.007 27.673 13.437 390 HD3 ARG 50 HD3 ARG 50 4.724 27.892 11.840 391 HE ARG 50 HE ARG 50 3.377 25.696 11.285 392 HH11 ARG 50 HH11 ARG 50 2.133 28.350 13.217 393 HH12 ARG 50 HH12 ARG 50 0.500 28.066 12.672 394 HH21 ARG 50 HH21 ARG 50 1.371 25.424 10.623 395 HH22 ARG 50 HH22 ARG 50 0.069 26.446 11.225 396 H VAL 51 H VAL 51 6.368 22.036 12.057 397 HA VAL 51 HA VAL 51 6.445 21.728 9.094 398 HB VAL 51 HB VAL 51 7.009 19.452 11.029 399 HG11 VAL 51 HG11 VAL 51 7.554 18.203 8.967 400 HG12 VAL 51 HG12 VAL 51 5.864 18.730 8.971 401 HG13 VAL 51 HG13 VAL 51 7.065 19.585 7.981 402 HG21 VAL 51 HG21 VAL 51 9.269 19.402 10.080 403 HG22 VAL 51 HG22 VAL 51 8.936 20.891 9.155 404 HG23 VAL 51 HG23 VAL 51 8.984 20.916 10.932 405 H ASP 52 H ASP 52 4.431 21.573 8.378 406 HA ASP 52 HA ASP 52 2.265 20.382 10.076 407 HB2 ASP 52 HB2 ASP 52 2.099 22.444 7.842 408 HB3 ASP 52 HB3 ASP 52 0.727 21.661 8.649 409 H LEU 53 H LEU 53 2.490 18.241 9.520 410 HA LEU 53 HA LEU 53 2.911 17.263 6.830 411 HB2 LEU 53 HB2 LEU 53 1.672 15.860 9.251 412 HB3 LEU 53 HB3 LEU 53 2.219 15.116 7.775 413 HG LEU 53 HG LEU 53 3.767 14.608 9.401 414 HD11 LEU 53 HD11 LEU 53 5.860 15.469 8.513 415 HD12 LEU 53 HD12 LEU 53 4.705 15.202 7.199 416 HD13 LEU 53 HD13 LEU 53 5.023 16.845 7.774 417 HD21 LEU 53 HD21 LEU 53 4.953 16.045 10.859 418 HD22 LEU 53 HD22 LEU 53 4.296 17.507 10.115 419 HD23 LEU 53 HD23 LEU 53 3.239 16.396 11.033 420 H ARG 54 H ARG 54 0.081 17.854 8.827 421 HA ARG 54 HA ARG 54 -1.949 16.817 7.085 422 HB2 ARG 54 HB2 ARG 54 -2.170 17.204 9.500 423 HB3 ARG 54 HB3 ARG 54 -2.017 18.944 9.264 424 HG2 ARG 54 HG2 ARG 54 -4.159 18.991 8.044 425 HG3 ARG 54 HG3 ARG 54 -4.247 17.226 8.079 426 HD2 ARG 54 HD2 ARG 54 -5.707 18.252 9.797 427 HD3 ARG 54 HD3 ARG 54 -4.473 17.221 10.496 428 HE ARG 54 HE ARG 54 -3.399 19.071 11.477 429 HH11 ARG 54 HH11 ARG 54 -5.996 20.305 9.456 430 HH12 ARG 54 HH12 ARG 54 -5.870 21.904 10.148 431 HH21 ARG 54 HH21 ARG 54 -3.268 21.070 12.256 432 HH22 ARG 54 HH22 ARG 54 -4.360 22.336 11.708 433 H SER 55 H SER 55 -0.582 20.098 7.358 434 HA SER 55 HA SER 55 -2.347 21.141 5.244 435 HB2 SER 55 HB2 SER 55 -0.039 22.526 6.636 436 HB3 SER 55 HB3 SER 55 -1.317 23.289 5.701 437 HG SER 55 HG SER 55 -2.825 22.697 7.263 438 H GLY 56 H GLY 56 0.908 19.841 5.368 439 HA2 GLY 56 HA2 GLY 56 2.448 19.462 3.690 440 HA3 GLY 56 HA3 GLY 56 1.355 20.161 2.496 441 H VAL 57 H VAL 57 2.810 21.523 5.499 442 HA VAL 57 HA VAL 57 4.211 23.629 3.902 443 HB VAL 57 HB VAL 57 2.367 24.199 6.245 444 HG11 VAL 57 HG11 VAL 57 4.131 26.076 4.609 445 HG12 VAL 57 HG12 VAL 57 2.855 26.603 5.717 446 HG13 VAL 57 HG13 VAL 57 4.247 25.745 6.361 447 HG21 VAL 57 HG21 VAL 57 1.087 23.853 4.177 448 HG22 VAL 57 HG22 VAL 57 1.120 25.566 4.566 449 HG23 VAL 57 HG23 VAL 57 2.180 24.928 3.287 450 H ILE 58 H ILE 58 6.097 24.377 4.663 451 HA ILE 58 HA ILE 58 7.023 23.616 7.400 452 HB ILE 58 HB ILE 58 8.639 23.552 4.828 453 HG12 ILE 58 HG12 ILE 58 8.138 21.349 6.879 454 HG13 ILE 58 HG13 ILE 58 7.234 21.511 5.376 455 HG21 ILE 58 HG21 ILE 58 10.602 22.996 6.253 456 HG22 ILE 58 HG22 ILE 58 9.997 24.595 6.611 457 HG23 ILE 58 HG23 ILE 58 9.620 23.241 7.703 458 HD11 ILE 58 HD11 ILE 58 9.332 21.258 4.067 459 HD12 ILE 58 HD12 ILE 58 10.195 20.901 5.590 460 HD13 ILE 58 HD13 ILE 58 8.896 19.841 5.032 461 H SER 59 H SER 59 7.801 25.324 8.558 462 HA SER 59 HA SER 59 8.129 27.959 7.143 463 HB2 SER 59 HB2 SER 59 6.024 27.824 8.484 464 HB3 SER 59 HB3 SER 59 7.022 27.581 9.924 465 HG SER 59 HG SER 59 6.857 29.855 8.238 466 H LEU 60 H LEU 60 9.953 29.028 7.473 467 HA LEU 60 HA LEU 60 11.935 27.956 9.428 468 HB2 LEU 60 HB2 LEU 60 12.357 29.678 6.978 469 HB3 LEU 60 HB3 LEU 60 13.617 29.004 8.004 470 HG LEU 60 HG LEU 60 11.695 27.387 6.249 471 HD11 LEU 60 HD11 LEU 60 14.626 28.139 5.947 472 HD12 LEU 60 HD12 LEU 60 13.798 26.900 4.979 473 HD13 LEU 60 HD13 LEU 60 13.270 28.582 4.895 474 HD21 LEU 60 HD21 LEU 60 12.278 26.045 8.160 475 HD22 LEU 60 HD22 LEU 60 13.235 25.487 6.784 476 HD23 LEU 60 HD23 LEU 60 13.992 26.518 8.034 477 H ILE 61 H ILE 61 12.993 29.230 10.840 478 HA ILE 61 HA ILE 61 12.118 32.059 11.242 479 HB ILE 61 HB ILE 61 11.850 31.714 13.605 480 HG12 ILE 61 HG12 ILE 61 11.582 29.005 14.122 481 HG13 ILE 61 HG13 ILE 61 12.994 29.020 13.066 482 HG21 ILE 61 HG21 ILE 61 9.890 31.463 12.147 483 HG22 ILE 61 HG22 ILE 61 10.148 29.712 12.067 484 HG23 ILE 61 HG23 ILE 61 9.762 30.495 13.620 485 HD11 ILE 61 HD11 ILE 61 13.611 29.145 15.450 486 HD12 ILE 61 HD12 ILE 61 14.120 30.605 14.591 487 HD13 ILE 61 HD13 ILE 61 12.675 30.651 15.631 488 H GLU 62 H GLU 62 13.525 33.313 12.641 489 HA GLU 62 HA GLU 62 16.281 32.983 11.808 490 HB2 GLU 62 HB2 GLU 62 14.995 34.974 13.714 491 HB3 GLU 62 HB3 GLU 62 16.685 35.018 13.177 492 HG2 GLU 62 HG2 GLU 62 15.957 35.246 10.822 493 HG3 GLU 62 HG3 GLU 62 14.260 35.159 11.315 494 H GLU 63 H GLU 63 17.802 31.797 12.690 495 HA GLU 63 HA GLU 63 17.537 30.619 15.355 496 HB2 GLU 63 HB2 GLU 63 18.603 29.604 13.160 497 HB3 GLU 63 HB3 GLU 63 20.053 30.474 13.717 498 HG2 GLU 63 HG2 GLU 63 19.853 29.319 15.915 499 HG3 GLU 63 HG3 GLU 63 18.422 28.472 15.341 500 H GLN 64 H GLN 64 18.629 31.212 17.198 501 HA GLN 64 HA GLN 64 20.173 33.763 17.185 502 HB2 GLN 64 HB2 GLN 64 18.392 34.836 18.487 503 HB3 GLN 64 HB3 GLN 64 17.793 34.265 16.935 504 HG2 GLN 64 HG2 GLN 64 16.904 32.196 18.130 505 HG3 GLN 64 HG3 GLN 64 17.341 32.969 19.660 506 HE21 GLN 64 HE21 GLN 64 15.362 33.460 16.640 507 HE22 GLN 64 HE22 GLN 64 14.167 34.466 17.455 508 H ASN 65 H ASN 65 20.432 30.842 18.427 509 HA ASN 65 HA ASN 65 20.881 31.512 21.250 510 HB2 ASN 65 HB2 ASN 65 20.089 29.245 20.328 511 HB3 ASN 65 HB3 ASN 65 21.774 28.970 19.875 512 HD21 ASN 65 HD21 ASN 65 21.373 27.044 21.361 513 HD22 ASN 65 HD22 ASN 65 21.726 27.327 23.047 514 H ARG 66 H ARG 66 22.614 32.453 18.672 515 HA ARG 66 HA ARG 66 25.372 31.912 19.399 516 HB2 ARG 66 HB2 ARG 66 24.151 34.157 17.739 517 HB3 ARG 66 HB3 ARG 66 25.868 33.798 17.850 518 HG2 ARG 66 HG2 ARG 66 23.727 32.068 16.566 519 HG3 ARG 66 HG3 ARG 66 25.040 32.935 15.765 520 HD2 ARG 66 HD2 ARG 66 25.259 30.508 17.570 521 HD3 ARG 66 HD3 ARG 66 25.581 30.569 15.842 522 HE ARG 66 HE ARG 66 27.488 32.188 16.435 523 HH11 ARG 66 HH11 ARG 66 26.567 29.547 18.544 524 HH12 ARG 66 HH12 ARG 66 27.983 29.697 19.547 525 HH21 ARG 66 HH21 ARG 66 29.370 32.228 17.642 526 HH22 ARG 66 HH22 ARG 66 29.592 31.085 18.942 527 H1 GLY -3 H1 GLY -3 -13.281 8.943 -2.399 528 H2 GLY -3 H2 GLY -3 -11.713 8.782 -1.999 529 H3 GLY -3 H3 GLY -3 -12.497 10.173 -1.658 530 HA2 GLY -3 HA2 GLY -3 -13.947 9.069 -0.094 531 HA3 GLY -3 HA3 GLY -3 -13.104 7.549 -0.468 532 HA PRO -2 HA PRO -2 -11.122 9.268 3.334 533 HB2 PRO -2 HB2 PRO -2 -10.751 6.312 3.741 534 HB3 PRO -2 HB3 PRO -2 -11.219 7.560 4.939 535 HG2 PRO -2 HG2 PRO -2 -13.102 5.922 3.919 536 HG3 PRO -2 HG3 PRO -2 -13.451 7.678 4.048 537 HD2 PRO -2 HD2 PRO -2 -12.497 6.119 1.618 538 HD3 PRO -2 HD3 PRO -2 -13.849 7.290 1.741 539 H GLY -1 H GLY -1 -8.930 8.952 4.269 540 HA2 GLY -1 HA2 GLY -1 -6.645 8.436 4.204 541 HA3 GLY -1 HA3 GLY -1 -6.845 7.627 2.659 542 H SER 0 H SER 0 -5.206 8.610 1.574 543 HA SER 0 HA SER 0 -3.879 10.109 0.548 544 HB2 SER 0 HB2 SER 0 -6.333 11.868 0.381 545 HB3 SER 0 HB3 SER 0 -4.880 11.993 -0.620 546 HG SER 0 HG SER 0 -5.329 9.990 -1.530 547 H MET 1 H MET 1 -4.156 10.391 3.535 548 HA MET 1 HA MET 1 -3.268 13.144 4.074 549 HB2 MET 1 HB2 MET 1 -3.391 10.678 5.850 550 HB3 MET 1 HB3 MET 1 -2.944 12.296 6.383 551 HG2 MET 1 HG2 MET 1 -5.193 13.132 5.660 552 HG3 MET 1 HG3 MET 1 -5.625 11.486 5.198 553 HE1 MET 1 HE1 MET 1 -5.132 13.058 9.534 554 HE2 MET 1 HE2 MET 1 -3.716 12.910 8.463 555 HE3 MET 1 HE3 MET 1 -5.043 14.032 8.062 556 H CYS 2 H CYS 2 -1.198 13.625 5.014 557 HA CYS 2 HA CYS 2 1.034 11.828 4.142 558 HB2 CYS 2 HB2 CYS 2 0.687 14.815 3.842 559 HB3 CYS 2 HB3 CYS 2 2.273 14.058 3.774 560 H MET 3 H MET 3 -0.217 11.899 6.784 561 HA MET 3 HA MET 3 1.377 13.245 8.689 562 HB2 MET 3 HB2 MET 3 0.330 11.993 10.316 563 HB3 MET 3 HB3 MET 3 -0.878 12.118 9.046 564 HG2 MET 3 HG2 MET 3 0.903 9.708 9.630 565 HG3 MET 3 HG3 MET 3 -0.764 9.908 10.155 566 HE1 MET 3 HE1 MET 3 -0.711 6.939 7.567 567 HE2 MET 3 HE2 MET 3 0.612 7.437 8.653 568 HE3 MET 3 HE3 MET 3 -1.054 7.413 9.254 569 H ALA 4 H ALA 4 3.033 12.533 10.092 570 HA ALA 4 HA ALA 4 4.948 10.591 8.823 571 HB1 ALA 4 HB1 ALA 4 5.526 12.981 8.487 572 HB2 ALA 4 HB2 ALA 4 5.491 13.237 10.245 573 HB3 ALA 4 HB3 ALA 4 6.711 12.177 9.515 574 H LYS 5 H LYS 5 6.845 10.236 10.513 575 HA LYS 5 HA LYS 5 5.762 10.000 13.285 576 HB2 LYS 5 HB2 LYS 5 7.200 8.184 13.811 577 HB3 LYS 5 HB3 LYS 5 6.176 7.731 12.456 578 HG2 LYS 5 HG2 LYS 5 8.056 8.000 10.906 579 HG3 LYS 5 HG3 LYS 5 9.086 8.645 12.194 580 HD2 LYS 5 HD2 LYS 5 8.873 6.510 13.439 581 HD3 LYS 5 HD3 LYS 5 7.891 5.841 12.110 582 HE2 LYS 5 HE2 LYS 5 9.771 6.056 10.560 583 HE3 LYS 5 HE3 LYS 5 10.724 6.916 11.783 584 HZ1 LYS 5 HZ1 LYS 5 9.820 4.099 12.025 585 HZ2 LYS 5 HZ2 LYS 5 11.342 4.572 11.672 586 HZ3 LYS 5 HZ3 LYS 5 10.706 4.906 13.143 587 H VAL 6 H VAL 6 7.013 10.697 14.948 588 HA VAL 6 HA VAL 6 9.431 12.339 14.287 589 HB VAL 6 HB VAL 6 7.518 12.451 16.622 590 HG11 VAL 6 HG11 VAL 6 9.007 14.245 17.545 591 HG12 VAL 6 HG12 VAL 6 9.707 12.635 17.670 592 HG13 VAL 6 HG13 VAL 6 10.260 13.739 16.390 593 HG21 VAL 6 HG21 VAL 6 7.250 14.754 15.939 594 HG22 VAL 6 HG22 VAL 6 8.566 14.623 14.754 595 HG23 VAL 6 HG23 VAL 6 7.039 13.752 14.495 596 H VAL 7 H VAL 7 11.386 11.774 15.110 597 HA VAL 7 HA VAL 7 11.517 9.697 17.225 598 HB VAL 7 HB VAL 7 12.077 8.548 15.178 599 HG11 VAL 7 HG11 VAL 7 14.100 9.051 13.886 600 HG12 VAL 7 HG12 VAL 7 12.942 10.380 13.786 601 HG13 VAL 7 HG13 VAL 7 14.374 10.521 14.820 602 HG21 VAL 7 HG21 VAL 7 14.602 8.991 16.824 603 HG22 VAL 7 HG22 VAL 7 13.239 7.950 17.294 604 HG23 VAL 7 HG23 VAL 7 14.179 7.571 15.846 605 H LEU 8 H LEU 8 12.933 10.068 18.847 606 HA LEU 8 HA LEU 8 14.869 12.287 18.673 607 HB2 LEU 8 HB2 LEU 8 14.016 13.476 20.582 608 HB3 LEU 8 HB3 LEU 8 12.763 13.313 19.362 609 HG LEU 8 HG LEU 8 12.105 11.158 20.879 610 HD11 LEU 8 HD11 LEU 8 13.240 13.192 22.861 611 HD12 LEU 8 HD12 LEU 8 12.261 11.778 23.267 612 HD13 LEU 8 HD13 LEU 8 13.878 11.558 22.600 613 HD21 LEU 8 HD21 LEU 8 10.415 12.571 21.940 614 HD22 LEU 8 HD22 LEU 8 11.317 14.030 21.469 615 HD23 LEU 8 HD23 LEU 8 10.597 12.969 20.232 616 H THR 9 H THR 9 16.584 12.143 20.040 617 HA THR 9 HA THR 9 17.008 9.497 21.340 618 HB THR 9 HB THR 9 19.018 11.590 20.459 619 HG1 THR 9 HG1 THR 9 18.052 10.522 18.760 620 HG21 THR 9 HG21 THR 9 19.469 8.744 21.478 621 HG22 THR 9 HG22 THR 9 20.699 9.833 20.809 622 HG23 THR 9 HG23 THR 9 19.925 10.237 22.336 623 H LYS 10 H LYS 10 17.364 9.236 23.423 624 HA LYS 10 HA LYS 10 16.677 11.334 25.351 625 HB2 LYS 10 HB2 LYS 10 17.467 8.398 25.572 626 HB3 LYS 10 HB3 LYS 10 17.035 9.398 26.965 627 HG2 LYS 10 HG2 LYS 10 14.795 9.756 26.096 628 HG3 LYS 10 HG3 LYS 10 15.174 8.859 24.628 629 HD2 LYS 10 HD2 LYS 10 13.952 7.381 26.100 630 HD3 LYS 10 HD3 LYS 10 15.608 6.814 25.941 631 HE2 LYS 10 HE2 LYS 10 14.968 6.552 28.222 632 HE3 LYS 10 HE3 LYS 10 16.145 7.857 28.143 633 HZ1 LYS 10 HZ1 LYS 10 13.201 8.220 28.366 634 HZ2 LYS 10 HZ2 LYS 10 14.266 8.417 29.577 635 HZ3 LYS 10 HZ3 LYS 10 14.279 9.447 28.312 636 H ALA 11 H ALA 11 17.907 11.665 27.302 637 HA ALA 11 HA ALA 11 20.612 12.494 26.875 638 HB1 ALA 11 HB1 ALA 11 19.033 12.125 29.462 639 HB2 ALA 11 HB2 ALA 11 20.521 13.060 29.274 640 HB3 ALA 11 HB3 ALA 11 19.050 13.587 28.441 641 H ASP 12 H ASP 12 19.262 9.394 28.011 642 HA ASP 12 HA ASP 12 21.849 8.456 29.016 643 HB2 ASP 12 HB2 ASP 12 20.627 6.547 29.715 644 HB3 ASP 12 HB3 ASP 12 19.778 7.988 30.233 645 H GLY 13 H GLY 13 20.765 8.895 25.957 646 HA2 GLY 13 HA2 GLY 13 21.696 8.166 23.971 647 HA3 GLY 13 HA3 GLY 13 22.458 6.798 24.784 648 H GLY 14 H GLY 14 19.200 6.819 25.685 649 HA2 GLY 14 HA2 GLY 14 18.405 4.639 23.887 650 HA3 GLY 14 HA3 GLY 14 17.445 5.419 25.147 651 H ARG 15 H ARG 15 15.976 4.946 23.033 652 HA ARG 15 HA ARG 15 15.585 7.606 21.754 653 HB2 ARG 15 HB2 ARG 15 16.564 5.246 20.418 654 HB3 ARG 15 HB3 ARG 15 14.926 5.548 19.840 655 HG2 ARG 15 HG2 ARG 15 15.491 7.855 19.286 656 HG3 ARG 15 HG3 ARG 15 17.110 7.679 19.986 657 HD2 ARG 15 HD2 ARG 15 16.019 6.190 17.580 658 HD3 ARG 15 HD3 ARG 15 17.120 7.576 17.501 659 HE ARG 15 HE ARG 15 17.791 4.813 17.979 660 HH11 ARG 15 HH11 ARG 15 19.000 8.046 18.843 661 HH12 ARG 15 HH12 ARG 15 20.621 7.430 19.003 662 HH21 ARG 15 HH21 ARG 15 19.878 4.163 18.282 663 HH22 ARG 15 HH22 ARG 15 21.087 5.323 18.744 664 H VAL 16 H VAL 16 13.635 8.175 21.090 665 HA VAL 16 HA VAL 16 11.274 6.514 21.889 666 HB VAL 16 HB VAL 16 11.715 9.475 22.416 667 HG11 VAL 16 HG11 VAL 16 9.464 9.441 23.480 668 HG12 VAL 16 HG12 VAL 16 9.374 9.176 21.752 669 HG13 VAL 16 HG13 VAL 16 9.203 7.797 22.865 670 HG21 VAL 16 HG21 VAL 16 11.263 7.139 24.308 671 HG22 VAL 16 HG22 VAL 16 12.772 8.050 24.087 672 HG23 VAL 16 HG23 VAL 16 11.367 8.850 24.786 673 H GLU 17 H GLU 17 9.631 6.492 20.468 674 HA GLU 17 HA GLU 17 9.709 8.264 18.069 675 HB2 GLU 17 HB2 GLU 17 9.045 5.293 18.149 676 HB3 GLU 17 HB3 GLU 17 8.714 6.362 16.788 677 HG2 GLU 17 HG2 GLU 17 11.106 6.898 16.572 678 HG3 GLU 17 HG3 GLU 17 11.484 5.786 17.894 679 H ILE 18 H ILE 18 7.787 9.003 17.274 680 HA ILE 18 HA ILE 18 5.236 8.292 18.668 681 HB ILE 18 HB ILE 18 6.077 11.095 17.860 682 HG12 ILE 18 HG12 ILE 18 5.533 10.137 20.699 683 HG13 ILE 18 HG13 ILE 18 7.159 10.179 20.014 684 HG21 ILE 18 HG21 ILE 18 3.640 10.655 17.549 685 HG22 ILE 18 HG22 ILE 18 3.526 10.138 19.248 686 HG23 ILE 18 HG23 ILE 18 3.932 11.818 18.827 687 HD11 ILE 18 HD11 ILE 18 6.786 12.168 21.305 688 HD12 ILE 18 HD12 ILE 18 6.970 12.604 19.595 689 HD13 ILE 18 HD13 ILE 18 5.357 12.592 20.358 690 H GLY 19 H GLY 19 3.823 7.520 17.214 691 HA2 GLY 19 HA2 GLY 19 4.328 7.832 14.299 692 HA3 GLY 19 HA3 GLY 19 3.235 6.687 15.062 693 H ASP 20 H ASP 20 2.488 8.094 12.831 694 HA ASP 20 HA ASP 20 0.892 9.356 11.908 695 HB2 ASP 20 HB2 ASP 20 -0.687 8.615 14.389 696 HB3 ASP 20 HB3 ASP 20 -1.336 9.041 12.802 697 H VAL 21 H VAL 21 2.666 11.045 12.924 698 HA VAL 21 HA VAL 21 1.504 13.176 14.560 699 HB VAL 21 HB VAL 21 4.113 12.961 13.014 700 HG11 VAL 21 HG11 VAL 21 3.562 15.347 13.244 701 HG12 VAL 21 HG12 VAL 21 3.197 15.108 14.970 702 HG13 VAL 21 HG13 VAL 21 4.848 14.904 14.366 703 HG21 VAL 21 HG21 VAL 21 3.958 11.419 14.930 704 HG22 VAL 21 HG22 VAL 21 5.063 12.735 15.319 705 HG23 VAL 21 HG23 VAL 21 3.426 12.737 15.982 706 H LEU 22 H LEU 22 0.287 14.783 13.875 707 HA LEU 22 HA LEU 22 -0.178 15.308 10.996 708 HB2 LEU 22 HB2 LEU 22 -1.418 16.465 13.525 709 HB3 LEU 22 HB3 LEU 22 -1.929 16.831 11.890 710 HG LEU 22 HG LEU 22 -2.110 14.102 13.227 711 HD11 LEU 22 HD11 LEU 22 -4.196 16.213 12.520 712 HD12 LEU 22 HD12 LEU 22 -4.583 14.588 13.084 713 HD13 LEU 22 HD13 LEU 22 -3.702 15.696 14.146 714 HD21 LEU 22 HD21 LEU 22 -3.463 13.445 11.274 715 HD22 LEU 22 HD22 LEU 22 -3.118 15.006 10.492 716 HD23 LEU 22 HD23 LEU 22 -1.808 13.835 10.800 717 H GLU 23 H GLU 23 1.333 16.872 13.807 718 HA GLU 23 HA GLU 23 2.696 18.821 12.133 719 HB2 GLU 23 HB2 GLU 23 1.707 20.820 13.168 720 HB3 GLU 23 HB3 GLU 23 0.566 19.920 12.196 721 HG2 GLU 23 HG2 GLU 23 -0.218 18.868 14.462 722 HG3 GLU 23 HG3 GLU 23 0.675 20.187 15.212 723 H VAL 24 H VAL 24 4.316 19.931 13.109 724 HA VAL 24 HA VAL 24 5.049 19.319 15.940 725 HB VAL 24 HB VAL 24 6.917 19.257 13.541 726 HG11 VAL 24 HG11 VAL 24 7.505 18.591 16.458 727 HG12 VAL 24 HG12 VAL 24 8.621 18.446 15.089 728 HG13 VAL 24 HG13 VAL 24 8.066 20.035 15.591 729 HG21 VAL 24 HG21 VAL 24 7.184 16.833 14.114 730 HG22 VAL 24 HG22 VAL 24 5.861 16.996 15.287 731 HG23 VAL 24 HG23 VAL 24 5.560 17.221 13.551 732 H ARG 25 H ARG 25 5.830 21.028 17.089 733 HA ARG 25 HA ARG 25 6.284 23.676 15.707 734 HB2 ARG 25 HB2 ARG 25 5.442 23.433 18.593 735 HB3 ARG 25 HB3 ARG 25 5.367 24.826 17.567 736 HG2 ARG 25 HG2 ARG 25 3.506 22.420 17.330 737 HG3 ARG 25 HG3 ARG 25 3.186 23.863 18.283 738 HD2 ARG 25 HD2 ARG 25 1.971 24.087 16.273 739 HD3 ARG 25 HD3 ARG 25 3.309 25.249 16.215 740 HE ARG 25 HE ARG 25 4.469 23.262 14.906 741 HH11 ARG 25 HH11 ARG 25 1.061 24.142 14.410 742 HH12 ARG 25 HH12 ARG 25 1.158 23.510 12.762 743 HH21 ARG 25 HH21 ARG 25 4.323 22.426 12.920 744 HH22 ARG 25 HH22 ARG 25 2.819 22.644 12.013 745 H ALA 26 H ALA 26 8.190 24.707 16.130 746 HA ALA 26 HA ALA 26 9.867 23.763 18.418 747 HB1 ALA 26 HB1 ALA 26 10.585 25.641 16.137 748 HB2 ALA 26 HB2 ALA 26 11.666 25.047 17.412 749 HB3 ALA 26 HB3 ALA 26 10.993 23.911 16.229 750 H GLU 27 H GLU 27 9.791 24.843 20.235 751 HA GLU 27 HA GLU 27 8.649 27.590 20.478 752 HB2 GLU 27 HB2 GLU 27 9.472 25.495 22.530 753 HB3 GLU 27 HB3 GLU 27 8.857 27.082 22.932 754 HG2 GLU 27 HG2 GLU 27 7.319 24.955 21.389 755 HG3 GLU 27 HG3 GLU 27 7.161 25.286 23.114 756 H GLY 28 H GLY 28 9.958 28.877 22.292 757 HA2 GLY 28 HA2 GLY 28 12.500 29.627 21.251 758 HA3 GLY 28 HA3 GLY 28 11.821 30.101 22.810 759 H GLY 29 H GLY 29 11.784 26.994 23.372 760 HA2 GLY 29 HA2 GLY 29 14.609 26.242 23.525 761 HA3 GLY 29 HA3 GLY 29 13.897 26.631 25.091 762 H ALA 30 H ALA 30 12.010 25.029 22.521 763 HA ALA 30 HA ALA 30 12.320 22.347 23.581 764 HB1 ALA 30 HB1 ALA 30 9.691 23.834 24.097 765 HB2 ALA 30 HB2 ALA 30 10.030 22.135 24.469 766 HB3 ALA 30 HB3 ALA 30 10.882 23.421 25.350 767 H VAL 31 H VAL 31 10.752 20.828 22.559 768 HA VAL 31 HA VAL 31 9.484 21.839 20.028 769 HB VAL 31 HB VAL 31 10.933 19.205 20.383 770 HG11 VAL 31 HG11 VAL 31 9.141 20.123 18.084 771 HG12 VAL 31 HG12 VAL 31 10.278 18.789 17.982 772 HG13 VAL 31 HG13 VAL 31 8.928 18.672 19.106 773 HG21 VAL 31 HG21 VAL 31 11.294 21.465 18.370 774 HG22 VAL 31 HG22 VAL 31 12.334 21.167 19.773 775 HG23 VAL 31 HG23 VAL 31 12.263 19.974 18.481 776 H ARG 32 H ARG 32 7.474 21.127 19.544 777 HA ARG 32 HA ARG 32 6.022 19.366 21.486 778 HB2 ARG 32 HB2 ARG 32 4.993 21.839 20.050 779 HB3 ARG 32 HB3 ARG 32 3.993 20.747 20.985 780 HG2 ARG 32 HG2 ARG 32 4.998 21.387 23.059 781 HG3 ARG 32 HG3 ARG 32 6.355 22.180 22.253 782 HD2 ARG 32 HD2 ARG 32 4.842 23.862 23.093 783 HD3 ARG 32 HD3 ARG 32 4.893 23.885 21.321 784 HE ARG 32 HE ARG 32 2.685 22.260 22.323 785 HH11 ARG 32 HH11 ARG 32 3.538 25.629 21.637 786 HH12 ARG 32 HH12 ARG 32 1.843 26.059 21.493 787 HH21 ARG 32 HH21 ARG 32 0.718 22.845 22.113 788 HH22 ARG 32 HH22 ARG 32 0.233 24.502 21.743 789 H VAL 33 H VAL 33 4.554 17.942 20.645 790 HA VAL 33 HA VAL 33 4.451 17.532 17.667 791 HB VAL 33 HB VAL 33 5.035 15.414 19.769 792 HG11 VAL 33 HG11 VAL 33 5.460 13.934 17.827 793 HG12 VAL 33 HG12 VAL 33 3.781 14.464 17.898 794 HG13 VAL 33 HG13 VAL 33 4.902 15.222 16.744 795 HG21 VAL 33 HG21 VAL 33 7.042 16.790 19.423 796 HG22 VAL 33 HG22 VAL 33 7.245 15.192 18.726 797 HG23 VAL 33 HG23 VAL 33 6.905 16.571 17.663 798 H THR 34 H THR 34 2.409 17.087 16.921 799 HA THR 34 HA THR 34 0.332 16.197 18.895 800 HB THR 34 HB THR 34 0.013 18.150 16.600 801 HG1 THR 34 HG1 THR 34 0.975 19.043 18.407 802 HG21 THR 34 HG21 THR 34 -2.076 16.891 16.845 803 HG22 THR 34 HG22 THR 34 -2.020 17.082 18.615 804 HG23 THR 34 HG23 THR 34 -2.281 18.491 17.565 805 H THR 35 H THR 35 -0.904 14.476 18.413 806 HA THR 35 HA THR 35 -0.267 13.010 15.915 807 HB THR 35 HB THR 35 -0.888 11.025 17.015 808 HG1 THR 35 HG1 THR 35 -1.796 11.043 19.095 809 HG21 THR 35 HG21 THR 35 1.287 11.975 17.782 810 HG22 THR 35 HG22 THR 35 0.459 12.681 19.191 811 HG23 THR 35 HG23 THR 35 0.513 10.917 18.966 812 H LEU 36 H LEU 36 -1.843 11.642 14.932 813 HA LEU 36 HA LEU 36 -4.252 12.689 13.992 814 HB2 LEU 36 HB2 LEU 36 -2.959 10.898 12.975 815 HB3 LEU 36 HB3 LEU 36 -3.208 9.858 14.377 816 HG LEU 36 HG LEU 36 -5.598 9.633 13.823 817 HD11 LEU 36 HD11 LEU 36 -4.917 11.303 11.357 818 HD12 LEU 36 HD12 LEU 36 -6.427 10.399 11.618 819 HD13 LEU 36 HD13 LEU 36 -6.032 11.766 12.664 820 HD21 LEU 36 HD21 LEU 36 -3.911 8.062 12.893 821 HD22 LEU 36 HD22 LEU 36 -5.303 8.272 11.821 822 HD23 LEU 36 HD23 LEU 36 -3.760 9.090 11.453 823 H PHE 37 H PHE 37 -3.719 11.102 17.074 824 HA PHE 37 HA PHE 37 -6.647 10.770 17.520 825 HB2 PHE 37 HB2 PHE 37 -4.317 9.488 18.981 826 HB3 PHE 37 HB3 PHE 37 -6.028 9.148 19.223 827 HD1 PHE 37 HD1 PHE 37 -7.405 8.300 17.183 828 HD2 PHE 37 HD2 PHE 37 -3.083 8.319 17.276 829 HE1 PHE 37 HE1 PHE 37 -7.349 6.735 15.254 830 HE2 PHE 37 HE2 PHE 37 -3.048 6.770 15.340 831 HZ PHE 37 HZ PHE 37 -5.181 6.002 14.312 832 H ASP 38 H ASP 38 -5.046 13.298 17.747 833 HA ASP 38 HA ASP 38 -5.073 15.183 18.913 834 HB2 ASP 38 HB2 ASP 38 -7.533 14.636 18.777 835 HB3 ASP 38 HB3 ASP 38 -7.440 14.103 20.464 836 H GLU 39 H GLU 39 -3.420 13.007 20.022 837 HA GLU 39 HA GLU 39 -3.041 13.905 22.835 838 HB2 GLU 39 HB2 GLU 39 -1.435 11.941 21.157 839 HB3 GLU 39 HB3 GLU 39 -1.121 12.350 22.838 840 HG2 GLU 39 HG2 GLU 39 -3.594 10.938 21.749 841 HG3 GLU 39 HG3 GLU 39 -2.267 10.200 22.632 842 H GLU 40 H GLU 40 -1.242 15.045 23.508 843 HA GLU 40 HA GLU 40 0.532 16.210 21.432 844 HB2 GLU 40 HB2 GLU 40 -1.148 17.903 21.968 845 HB3 GLU 40 HB3 GLU 40 -0.743 17.770 23.695 846 HG2 GLU 40 HG2 GLU 40 1.534 18.582 23.263 847 HG3 GLU 40 HG3 GLU 40 1.234 18.573 21.522 848 H HIS 41 H HIS 41 2.603 16.248 21.895 849 HA HIS 41 HA HIS 41 3.570 15.459 24.626 850 HB2 HIS 41 HB2 HIS 41 4.850 14.712 21.972 851 HB3 HIS 41 HB3 HIS 41 5.268 14.124 23.573 852 HD2 HIS 41 HD2 HIS 41 2.868 13.562 20.663 853 HE1 HIS 41 HE1 HIS 41 1.908 10.559 23.534 854 HE2 HIS 41 HE2 HIS 41 1.487 11.380 21.150 855 H ALA 42 H ALA 42 5.446 16.497 25.340 856 HA ALA 42 HA ALA 42 6.654 18.598 23.614 857 HB1 ALA 42 HB1 ALA 42 5.561 19.105 26.402 858 HB2 ALA 42 HB2 ALA 42 6.451 20.269 25.386 859 HB3 ALA 42 HB3 ALA 42 4.855 19.693 24.881 860 H PHE 43 H PHE 43 8.744 19.011 23.907 861 HA PHE 43 HA PHE 43 10.278 17.436 25.933 862 HB2 PHE 43 HB2 PHE 43 10.773 17.546 22.953 863 HB3 PHE 43 HB3 PHE 43 11.750 16.696 24.143 864 HD1 PHE 43 HD1 PHE 43 10.732 14.749 25.427 865 HD2 PHE 43 HD2 PHE 43 8.778 16.559 22.032 866 HE1 PHE 43 HE1 PHE 43 9.256 12.762 25.217 867 HE2 PHE 43 HE2 PHE 43 7.308 14.558 21.823 868 HZ PHE 43 HZ PHE 43 7.527 12.677 23.434 869 HA PRO 44 HA PRO 44 12.166 21.588 25.982 870 HB2 PRO 44 HB2 PRO 44 13.507 21.415 28.357 871 HB3 PRO 44 HB3 PRO 44 11.737 21.670 28.245 872 HG2 PRO 44 HG2 PRO 44 13.221 19.058 28.683 873 HG3 PRO 44 HG3 PRO 44 11.823 19.699 29.599 874 HD2 PRO 44 HD2 PRO 44 11.549 17.889 27.586 875 HD3 PRO 44 HD3 PRO 44 10.324 19.173 27.844 876 H GLY 45 H GLY 45 14.112 22.371 25.404 877 HA2 GLY 45 HA2 GLY 45 16.367 22.526 24.939 878 HA3 GLY 45 HA3 GLY 45 16.641 20.966 25.714 879 H LEU 46 H LEU 46 14.282 20.563 23.318 880 HA LEU 46 HA LEU 46 16.274 19.519 21.383 881 HB2 LEU 46 HB2 LEU 46 13.260 19.156 21.456 882 HB3 LEU 46 HB3 LEU 46 14.365 18.426 20.296 883 HG LEU 46 HG LEU 46 14.137 17.818 23.263 884 HD11 LEU 46 HD11 LEU 46 13.889 16.032 20.801 885 HD12 LEU 46 HD12 LEU 46 13.515 15.602 22.481 886 HD13 LEU 46 HD13 LEU 46 12.511 16.785 21.627 887 HD21 LEU 46 HD21 LEU 46 16.214 16.802 21.266 888 HD22 LEU 46 HD22 LEU 46 16.525 17.706 22.769 889 HD23 LEU 46 HD23 LEU 46 15.887 16.068 22.856 890 H ALA 47 H ALA 47 15.955 19.834 19.136 891 HA ALA 47 HA ALA 47 14.196 21.990 18.172 892 HB1 ALA 47 HB1 ALA 47 16.020 22.911 16.738 893 HB2 ALA 47 HB2 ALA 47 16.318 23.160 18.470 894 HB3 ALA 47 HB3 ALA 47 17.189 21.883 17.580 895 H ILE 48 H ILE 48 13.764 21.790 15.867 896 HA ILE 48 HA ILE 48 13.593 19.021 14.957 897 HB ILE 48 HB ILE 48 12.871 21.584 13.509 898 HG12 ILE 48 HG12 ILE 48 10.984 19.730 15.022 899 HG13 ILE 48 HG13 ILE 48 11.608 21.228 15.675 900 HG21 ILE 48 HG21 ILE 48 11.507 20.101 12.065 901 HG22 ILE 48 HG22 ILE 48 13.203 19.630 12.001 902 HG23 ILE 48 HG23 ILE 48 12.069 18.687 12.993 903 HD11 ILE 48 HD11 ILE 48 9.765 20.957 13.289 904 HD12 ILE 48 HD12 ILE 48 9.456 21.749 14.840 905 HD13 ILE 48 HD13 ILE 48 10.613 22.474 13.712 906 H GLY 49 H GLY 49 15.337 18.007 14.161 907 HA2 GLY 49 HA2 GLY 49 17.661 19.541 13.153 908 HA3 GLY 49 HA3 GLY 49 17.611 17.849 13.648 909 H ARG 50 H ARG 50 15.503 16.911 12.006 910 HA ARG 50 HA ARG 50 16.219 17.530 9.195 911 HB2 ARG 50 HB2 ARG 50 16.323 14.663 10.210 912 HB3 ARG 50 HB3 ARG 50 16.630 15.240 8.574 913 HG2 ARG 50 HG2 ARG 50 18.644 16.474 9.436 914 HG3 ARG 50 HG3 ARG 50 18.351 15.750 11.038 915 HD2 ARG 50 HD2 ARG 50 18.580 13.502 10.106 916 HD3 ARG 50 HD3 ARG 50 18.830 14.182 8.486 917 HE ARG 50 HE ARG 50 20.729 15.347 10.251 918 HH11 ARG 50 HH11 ARG 50 20.139 12.194 8.844 919 HH12 ARG 50 HH12 ARG 50 21.828 11.762 8.874 920 HH21 ARG 50 HH21 ARG 50 22.868 14.730 10.258 921 HH22 ARG 50 HH22 ARG 50 23.312 13.165 9.646 922 H VAL 51 H VAL 51 14.710 16.990 7.689 923 HA VAL 51 HA VAL 51 12.115 15.790 8.569 924 HB VAL 51 HB VAL 51 12.408 18.332 6.918 925 HG11 VAL 51 HG11 VAL 51 10.456 17.049 6.178 926 HG12 VAL 51 HG12 VAL 51 9.897 16.893 7.858 927 HG13 VAL 51 HG13 VAL 51 9.948 18.483 7.079 928 HG21 VAL 51 HG21 VAL 51 12.807 18.788 9.327 929 HG22 VAL 51 HG22 VAL 51 11.282 19.481 8.779 930 HG23 VAL 51 HG23 VAL 51 11.273 17.977 9.725 931 H ASP 52 H ASP 52 11.400 14.282 7.166 932 HA ASP 52 HA ASP 52 12.170 14.366 4.302 933 HB2 ASP 52 HB2 ASP 52 13.847 12.959 5.443 934 HB3 ASP 52 HB3 ASP 52 12.540 11.977 6.127 935 H LEU 53 H LEU 53 10.158 14.806 3.607 936 HA LEU 53 HA LEU 53 7.747 13.517 4.668 937 HB2 LEU 53 HB2 LEU 53 8.094 15.315 2.243 938 HB3 LEU 53 HB3 LEU 53 6.592 14.940 3.077 939 HG LEU 53 HG LEU 53 8.925 16.594 4.145 940 HD11 LEU 53 HD11 LEU 53 6.070 17.305 3.428 941 HD12 LEU 53 HD12 LEU 53 7.264 18.388 4.167 942 HD13 LEU 53 HD13 LEU 53 7.558 17.754 2.539 943 HD21 LEU 53 HD21 LEU 53 6.297 15.868 5.509 944 HD22 LEU 53 HD22 LEU 53 7.906 15.353 6.046 945 HD23 LEU 53 HD23 LEU 53 7.469 17.059 6.117 946 H ARG 54 H ARG 54 10.052 12.752 2.264 947 HA ARG 54 HA ARG 54 8.345 11.109 0.495 948 HB2 ARG 54 HB2 ARG 54 10.225 12.039 -0.545 949 HB3 ARG 54 HB3 ARG 54 11.250 11.783 0.825 950 HG2 ARG 54 HG2 ARG 54 11.064 9.208 0.235 951 HG3 ARG 54 HG3 ARG 54 10.428 9.793 -1.305 952 HD2 ARG 54 HD2 ARG 54 12.853 9.429 -1.456 953 HD3 ARG 54 HD3 ARG 54 12.508 11.171 -1.565 954 HE ARG 54 HE ARG 54 13.074 10.106 1.131 955 HH11 ARG 54 HH11 ARG 54 14.486 11.899 -1.548 956 HH12 ARG 54 HH12 ARG 54 15.582 12.746 -0.461 957 HH21 ARG 54 HH21 ARG 54 14.523 11.121 2.361 958 HH22 ARG 54 HH22 ARG 54 15.632 12.284 1.665 959 H SER 55 H SER 55 10.669 10.497 3.154 960 HA SER 55 HA SER 55 9.864 7.680 3.405 961 HB2 SER 55 HB2 SER 55 11.546 9.369 5.280 962 HB3 SER 55 HB3 SER 55 11.415 7.604 5.273 963 HG SER 55 HG SER 55 12.929 9.285 3.715 964 H GLY 56 H GLY 56 8.855 10.711 4.857 965 HA2 GLY 56 HA2 GLY 56 7.014 11.177 6.196 966 HA3 GLY 56 HA3 GLY 56 6.669 9.460 6.370 967 H VAL 57 H VAL 57 9.630 11.363 7.124 968 HA VAL 57 HA VAL 57 9.445 10.574 10.001 969 HB VAL 57 HB VAL 57 11.927 10.271 8.267 970 HG11 VAL 57 HG11 VAL 57 12.570 10.846 10.561 971 HG12 VAL 57 HG12 VAL 57 11.436 9.643 11.213 972 HG13 VAL 57 HG13 VAL 57 12.866 9.136 10.286 973 HG21 VAL 57 HG21 VAL 57 10.107 8.163 9.505 974 HG22 VAL 57 HG22 VAL 57 10.366 8.455 7.776 975 HG23 VAL 57 HG23 VAL 57 11.693 7.836 8.758 976 H ILE 58 H ILE 58 10.069 12.033 11.444 977 HA ILE 58 HA ILE 58 11.671 14.431 10.638 978 HB ILE 58 HB ILE 58 9.311 14.264 12.531 979 HG12 ILE 58 HG12 ILE 58 9.699 16.175 10.191 980 HG13 ILE 58 HG13 ILE 58 8.953 14.598 9.967 981 HG21 ILE 58 HG21 ILE 58 9.741 16.708 12.999 982 HG22 ILE 58 HG22 ILE 58 10.999 15.660 13.621 983 HG23 ILE 58 HG23 ILE 58 11.263 16.572 12.113 984 HD11 ILE 58 HD11 ILE 58 7.217 15.141 11.647 985 HD12 ILE 58 HD12 ILE 58 7.881 16.797 11.776 986 HD13 ILE 58 HD13 ILE 58 7.216 16.226 10.244 987 H SER 59 H SER 59 13.488 14.732 11.827 988 HA SER 59 HA SER 59 13.930 12.976 14.219 989 HB2 SER 59 HB2 SER 59 15.355 12.391 12.287 990 HB3 SER 59 HB3 SER 59 15.967 14.063 12.268 991 HG SER 59 HG SER 59 16.354 12.043 14.218 992 H LEU 60 H LEU 60 14.192 13.963 16.095 993 HA LEU 60 HA LEU 60 14.770 16.889 16.192 994 HB2 LEU 60 HB2 LEU 60 13.845 15.113 18.442 995 HB3 LEU 60 HB3 LEU 60 13.925 16.871 18.418 996 HG LEU 60 HG LEU 60 12.001 15.102 16.847 997 HD11 LEU 60 HD11 LEU 60 11.486 15.320 19.229 998 HD12 LEU 60 HD12 LEU 60 11.609 17.083 19.126 999 HD13 LEU 60 HD13 LEU 60 10.307 16.224 18.265 1000 HD21 LEU 60 HD21 LEU 60 12.502 17.033 15.456 1001 HD22 LEU 60 HD22 LEU 60 10.896 17.233 16.161 1002 HD23 LEU 60 HD23 LEU 60 12.283 18.129 16.835 1003 H ILE 61 H ILE 61 16.412 17.725 17.401 1004 HA ILE 61 HA ILE 61 18.495 15.897 18.507 1005 HB ILE 61 HB ILE 61 20.267 17.156 17.464 1006 HG12 ILE 61 HG12 ILE 61 19.261 18.649 15.381 1007 HG13 ILE 61 HG13 ILE 61 18.091 19.017 16.645 1008 HG21 ILE 61 HG21 ILE 61 20.050 16.377 15.199 1009 HG22 ILE 61 HG22 ILE 61 19.334 15.190 16.294 1010 HG23 ILE 61 HG23 ILE 61 18.283 16.257 15.333 1011 HD11 ILE 61 HD11 ILE 61 21.113 19.327 16.863 1012 HD12 ILE 61 HD12 ILE 61 19.944 20.633 16.582 1013 HD13 ILE 61 HD13 ILE 61 19.926 19.760 18.120 1014 H GLU 62 H GLU 62 19.975 16.913 19.969 1015 HA GLU 62 HA GLU 62 18.610 18.700 21.866 1016 HB2 GLU 62 HB2 GLU 62 21.364 17.422 21.874 1017 HB3 GLU 62 HB3 GLU 62 20.722 18.430 23.179 1018 HG2 GLU 62 HG2 GLU 62 18.826 16.837 23.480 1019 HG3 GLU 62 HG3 GLU 62 19.511 15.791 22.222 1020 H GLU 63 H GLU 63 18.618 20.835 21.707 1021 HA GLU 63 HA GLU 63 20.038 22.111 19.567 1022 HB2 GLU 63 HB2 GLU 63 17.727 22.589 20.360 1023 HB3 GLU 63 HB3 GLU 63 18.392 23.412 21.779 1024 HG2 GLU 63 HG2 GLU 63 19.204 24.208 18.945 1025 HG3 GLU 63 HG3 GLU 63 17.698 24.784 19.661 1026 H GLN 64 H GLN 64 22.075 22.601 19.580 1027 HA GLN 64 HA GLN 64 23.404 23.905 21.903 1028 HB2 GLN 64 HB2 GLN 64 24.339 21.462 20.375 1029 HB3 GLN 64 HB3 GLN 64 25.384 22.385 21.465 1030 HG2 GLN 64 HG2 GLN 64 24.195 21.795 23.398 1031 HG3 GLN 64 HG3 GLN 64 22.781 21.244 22.510 1032 HE21 GLN 64 HE21 GLN 64 23.014 19.291 21.092 1033 HE22 GLN 64 HE22 GLN 64 24.143 18.043 21.636 1034 H ASN 65 H ASN 65 22.371 25.261 19.701 1035 HA ASN 65 HA ASN 65 24.497 25.862 17.785 1036 HB2 ASN 65 HB2 ASN 65 22.179 26.072 17.159 1037 HB3 ASN 65 HB3 ASN 65 21.838 27.153 18.493 1038 HD21 ASN 65 HD21 ASN 65 21.460 29.110 17.764 1039 HD22 ASN 65 HD22 ASN 65 22.294 29.932 16.454 1040 H ARG 66 H ARG 66 24.136 26.743 21.074 1041 HA ARG 66 HA ARG 66 25.610 29.268 21.007 1042 HB2 ARG 66 HB2 ARG 66 25.832 28.988 23.404 1043 HB3 ARG 66 HB3 ARG 66 24.175 28.774 22.876 1044 HG2 ARG 66 HG2 ARG 66 24.481 26.275 23.054 1045 HG3 ARG 66 HG3 ARG 66 26.107 26.557 23.699 1046 HD2 ARG 66 HD2 ARG 66 23.502 27.564 24.916 1047 HD3 ARG 66 HD3 ARG 66 24.391 26.139 25.443 1048 HE ARG 66 HE ARG 66 26.314 27.675 25.976 1049 HH11 ARG 66 HH11 ARG 66 26.811 29.249 27.426 1050 HH12 ARG 66 HH12 ARG 66 25.599 30.382 27.942 1051 HH21 ARG 66 HH21 ARG 66 23.063 29.004 26.112 1052 HH22 ARG 66 HH22 ARG 66 23.533 30.231 27.253
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