REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3lh3_1_B DATA FIRST_RESID 37 DATA SEQUENCE FDSTDETPAS YNLAVRRAAP AVVNVYNRGL NXXXHNQLEI RTLGSGVIMD DATA SEQUENCE QRGYIITNKH VINDADQIIV ALQDGRVFEA LLVGSDSLTD LAVLKINATG DATA SEQUENCE GLPTIPINAR RVPHIGDVVL AIGNPYNLGQ TITQGIISAT GRIGLNPTGR DATA SEQUENCE QNFLQTDASI NHGNXGGALV NSLGELMGIN TLSFDKSNDG ETPEGIGFAI DATA SEQUENCE PFQLATKIMD KLIRDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 37 F HA 0.000 4.525 4.527 -0.003 0.000 0.279 37 F C 0.000 175.798 175.800 -0.003 0.000 0.967 37 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 37 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 38 D N 2.048 122.539 120.400 0.152 0.000 2.446 38 D HA 0.191 4.807 4.640 -0.039 0.000 0.251 38 D C 0.695 177.100 176.300 0.176 0.000 1.137 38 D CA -0.137 53.904 54.000 0.067 0.000 0.890 38 D CB 0.463 41.272 40.800 0.015 0.000 1.071 38 D HN 0.214 8.709 8.370 0.208 0.000 0.528 39 S N 3.998 119.848 115.700 0.249 0.000 2.593 39 S HA 0.114 4.686 4.470 0.171 0.000 0.217 39 S C 1.593 176.252 174.600 0.098 0.000 0.966 39 S CA 0.499 58.820 58.200 0.201 0.000 0.914 39 S CB 0.219 63.576 63.200 0.262 0.000 0.776 39 S HN 0.451 8.913 8.310 0.252 0.000 0.523 40 T N 0.323 114.917 114.554 0.068 0.000 2.803 40 T HA -0.256 4.116 4.350 0.037 0.000 0.269 40 T C 0.701 175.419 174.700 0.029 0.000 1.052 40 T CA 2.375 64.498 62.100 0.037 0.000 1.136 40 T CB -0.112 68.768 68.868 0.019 0.000 0.864 40 T HN -0.529 7.848 8.240 0.064 -0.099 0.467 41 D N -0.791 119.628 120.400 0.032 0.000 2.346 41 D HA 0.169 4.819 4.640 0.016 0.000 0.206 41 D C 0.160 176.470 176.300 0.017 0.000 1.001 41 D CA 0.357 54.370 54.000 0.021 0.000 0.871 41 D CB 0.573 41.384 40.800 0.019 0.000 0.943 41 D HN 0.185 8.554 8.370 0.040 0.026 0.518 42 E N -0.085 120.129 120.200 0.024 0.000 2.408 42 E HA 0.021 4.374 4.350 0.005 0.000 0.259 42 E C -0.707 175.895 176.600 0.002 0.000 1.110 42 E CA 0.481 56.888 56.400 0.011 0.000 0.929 42 E CB 0.661 30.369 29.700 0.013 0.000 0.971 42 E HN -0.656 7.620 8.360 0.037 0.107 0.438 43 T N 3.699 118.246 114.554 -0.011 0.000 2.770 43 T HA 0.251 4.592 4.350 -0.014 0.000 0.283 43 T C -1.875 172.805 174.700 -0.033 0.000 0.988 43 T CA -2.150 59.938 62.100 -0.020 0.000 0.957 43 T CB 0.253 69.106 68.868 -0.025 0.000 0.930 43 T HN 0.032 8.263 8.240 -0.015 0.000 0.443 44 P HA 0.003 4.398 4.420 -0.043 0.000 0.265 44 P C -0.215 177.037 177.300 -0.079 0.000 1.193 44 P CA -0.179 62.893 63.100 -0.046 0.000 0.765 44 P CB 0.372 32.052 31.700 -0.033 0.000 0.823 45 A N 3.031 125.792 122.820 -0.100 0.000 2.540 45 A HA -0.113 4.102 4.320 -0.176 0.000 0.239 45 A C -0.524 176.921 177.584 -0.231 0.000 1.061 45 A CA 0.802 52.737 52.037 -0.170 0.000 0.758 45 A CB -0.060 18.845 19.000 -0.159 0.000 0.991 45 A HN 0.054 8.153 8.150 -0.084 0.000 0.502 46 S N 1.857 117.340 115.700 -0.363 0.000 2.543 46 S HA 0.082 4.374 4.470 -0.297 0.000 0.274 46 S C -1.046 173.262 174.600 -0.487 0.000 1.149 46 S CA -0.146 57.852 58.200 -0.336 0.000 0.866 46 S CB 0.842 63.958 63.200 -0.141 0.000 1.111 46 S HN -0.147 7.917 8.310 -0.410 0.000 0.457 47 Y N 2.606 122.907 120.300 0.000 0.000 2.681 47 Y HA 0.189 4.738 4.550 -0.001 0.000 0.267 47 Y C 0.158 176.058 175.900 -0.000 0.000 1.166 47 Y CA -0.790 57.309 58.100 -0.001 0.000 1.209 47 Y CB -0.251 38.208 38.460 -0.001 0.000 1.161 47 Y HN 0.235 8.492 8.280 -0.039 0.000 0.534 48 N N 1.692 120.433 118.700 0.069 0.000 2.223 48 N HA -0.337 4.440 4.740 0.062 0.000 0.185 48 N C 1.085 176.621 175.510 0.044 0.000 1.016 48 N CA 3.259 56.339 53.050 0.050 0.000 0.863 48 N CB 0.283 38.781 38.487 0.019 0.000 0.983 48 N HN -0.503 7.816 8.380 0.015 0.070 0.429 49 L N -0.468 120.779 121.223 0.039 0.000 2.012 49 L HA -0.280 4.074 4.340 0.024 0.000 0.210 49 L C 1.000 177.895 176.870 0.042 0.000 1.073 49 L CA 2.923 57.783 54.840 0.033 0.000 0.748 49 L CB -0.477 41.598 42.059 0.028 0.000 0.891 49 L HN -0.163 8.086 8.230 0.032 0.000 0.431 50 A N -2.324 120.537 122.820 0.068 0.000 1.902 50 A HA -0.396 3.944 4.320 0.034 0.000 0.217 50 A C 2.132 179.738 177.584 0.037 0.000 1.181 50 A CA 2.960 55.028 52.037 0.052 0.000 0.623 50 A CB -0.896 18.146 19.000 0.069 0.000 0.818 50 A HN -0.642 7.566 8.150 0.097 0.000 0.443 51 V N -1.449 118.495 119.914 0.049 0.000 2.261 51 V HA -0.629 3.508 4.120 0.030 0.000 0.246 51 V C 2.409 178.518 176.094 0.025 0.000 1.047 51 V CA 4.319 66.640 62.300 0.036 0.000 1.015 51 V CB -0.297 31.552 31.823 0.044 0.000 0.642 51 V HN -0.612 7.537 8.190 0.067 0.081 0.446 52 R N -1.599 118.916 120.500 0.025 0.000 2.152 52 R HA -0.279 4.072 4.340 0.019 0.000 0.232 52 R C 2.185 178.494 176.300 0.014 0.000 1.117 52 R CA 3.165 59.277 56.100 0.019 0.000 0.981 52 R CB -0.318 29.992 30.300 0.017 0.000 0.870 52 R HN -0.239 8.049 8.270 0.028 0.000 0.451 53 R N -3.312 117.196 120.500 0.013 0.000 2.093 53 R HA -0.125 4.218 4.340 0.005 0.000 0.224 53 R C 0.658 176.959 176.300 0.001 0.000 1.101 53 R CA 2.739 58.843 56.100 0.005 0.000 0.979 53 R CB 0.356 30.657 30.300 0.002 0.000 0.877 53 R HN -0.554 7.704 8.270 0.016 0.022 0.441 54 A N -3.296 119.524 122.820 0.001 0.000 1.984 54 A HA 0.218 4.533 4.320 -0.009 0.000 0.203 54 A C 1.309 178.894 177.584 0.002 0.000 1.292 54 A CA 1.162 53.196 52.037 -0.005 0.000 0.782 54 A CB 0.636 19.628 19.000 -0.013 0.000 0.924 54 A HN -0.446 7.707 8.150 0.006 0.000 0.475 55 A N -0.115 122.710 122.820 0.008 0.000 1.948 55 A HA -0.140 4.185 4.320 0.008 0.000 0.220 55 A C -1.028 176.565 177.584 0.015 0.000 1.177 55 A CA 4.307 56.350 52.037 0.011 0.000 0.636 55 A CB -2.387 16.622 19.000 0.016 0.000 0.815 55 A HN -0.049 8.107 8.150 0.010 0.000 0.449 56 P HA -0.216 4.219 4.420 0.026 0.000 0.222 56 P C -0.335 176.980 177.300 0.025 0.000 1.147 56 P CA 1.668 64.782 63.100 0.023 0.000 0.790 56 P CB -0.347 31.366 31.700 0.022 0.000 0.780 57 A N -5.360 117.470 122.820 0.018 0.000 2.238 57 A HA 0.160 4.494 4.320 0.023 0.000 0.210 57 A C -1.366 176.228 177.584 0.017 0.000 1.179 57 A CA -0.491 51.556 52.037 0.018 0.000 0.827 57 A CB 0.960 19.966 19.000 0.010 0.000 0.856 57 A HN -0.519 7.605 8.150 0.013 0.035 0.488 58 V N 0.411 120.333 119.914 0.013 0.000 2.432 58 V HA 0.376 4.663 4.120 0.005 -0.164 0.275 58 V C -0.429 175.671 176.094 0.009 0.000 1.043 58 V CA 0.037 62.341 62.300 0.007 0.000 0.925 58 V CB 0.728 32.550 31.823 -0.001 0.000 0.985 58 V HN -0.772 7.276 8.190 0.013 0.150 0.466 59 V N 0.595 120.511 119.914 0.003 0.000 2.994 59 V HA 0.600 4.819 4.120 0.022 -0.085 0.318 59 V C -1.241 174.827 176.094 -0.043 0.000 1.085 59 V CA -3.584 58.720 62.300 0.007 0.000 0.998 59 V CB 2.817 34.660 31.823 0.033 0.000 1.063 59 V HN 0.402 8.483 8.190 -0.002 0.108 0.447 60 N N 1.686 120.350 118.700 -0.061 0.000 2.444 60 N HA 0.218 4.812 4.740 -0.243 0.000 0.271 60 N C -0.725 174.591 175.510 -0.324 0.000 1.069 60 N CA -1.060 51.855 53.050 -0.225 0.000 0.965 60 N CB 0.709 39.070 38.487 -0.211 0.000 1.092 60 N HN -0.111 8.263 8.380 -0.009 0.000 0.476 61 V N 3.676 123.346 119.914 -0.407 0.000 2.398 61 V HA 0.464 4.667 4.120 -0.145 -0.170 0.286 61 V C -1.232 174.610 176.094 -0.420 0.000 1.026 61 V CA -0.857 61.279 62.300 -0.273 0.000 0.868 61 V CB 1.731 33.477 31.823 -0.127 0.000 0.982 61 V HN 0.015 7.861 8.190 -0.397 0.106 0.443 62 Y N 5.801 126.113 120.300 0.021 0.000 2.328 62 Y HA 0.215 4.776 4.550 0.018 0.000 0.336 62 Y C -1.426 174.489 175.900 0.026 0.000 0.960 62 Y CA -1.469 56.644 58.100 0.022 0.000 1.134 62 Y CB 2.467 40.941 38.460 0.023 0.000 1.166 62 Y HN 0.846 9.196 8.280 0.116 0.000 0.464 63 N N 5.004 123.797 118.700 0.156 0.000 2.521 63 N HA 0.193 4.990 4.740 0.096 0.000 0.236 63 N C -1.287 174.290 175.510 0.111 0.000 1.067 63 N CA -0.940 52.174 53.050 0.108 0.000 0.939 63 N CB 0.497 39.029 38.487 0.076 0.000 1.201 63 N HN 0.272 8.737 8.380 0.141 0.000 0.511 64 R N 5.186 125.745 120.500 0.097 0.000 2.457 64 R HA 0.712 5.271 4.340 0.076 -0.174 0.284 64 R C -0.556 175.777 176.300 0.055 0.000 1.024 64 R CA -0.810 55.334 56.100 0.073 0.000 1.025 64 R CB 2.825 33.160 30.300 0.058 0.000 1.063 64 R HN 0.248 8.576 8.270 0.096 0.000 0.493 65 G N -0.954 107.875 108.800 0.047 0.000 2.672 65 G HA2 0.792 4.878 3.960 0.034 0.000 0.292 65 G HA3 0.792 4.773 3.960 0.036 0.000 0.292 65 G C -2.963 171.955 174.900 0.031 0.000 1.375 65 G CA -1.010 44.112 45.100 0.036 0.000 0.890 65 G HN 0.409 8.728 8.290 0.048 0.000 0.476 66 L N 0.458 121.694 121.223 0.021 0.000 2.312 66 L HA 0.339 4.696 4.340 0.028 0.000 0.281 66 L C -0.278 176.589 176.870 -0.006 0.000 1.070 66 L CA -0.282 54.567 54.840 0.015 0.000 0.805 66 L CB 1.110 43.174 42.059 0.009 0.000 1.174 66 L HN -0.232 8.268 8.230 0.018 -0.260 0.434 72 N N -0.261 118.525 118.700 0.142 0.000 2.205 72 N HA -0.274 4.500 4.740 0.057 0.000 0.186 72 N C -0.484 175.066 175.510 0.066 0.000 1.015 72 N CA 1.364 54.459 53.050 0.075 0.000 0.862 72 N CB 0.298 38.816 38.487 0.052 0.000 0.986 72 N HN 0.193 8.666 8.380 0.156 0.000 0.429 73 Q N -1.431 118.420 119.800 0.085 0.000 2.311 73 Q HA -0.048 4.314 4.340 0.036 0.000 0.272 73 Q C -0.839 175.198 176.000 0.061 0.000 1.012 73 Q CA 0.680 56.517 55.803 0.058 0.000 0.891 73 Q CB 0.420 29.185 28.738 0.045 0.000 1.201 73 Q HN -0.182 8.136 8.270 0.116 0.022 0.391 74 L N 3.751 124.997 121.223 0.037 0.000 2.357 74 L HA 0.240 4.758 4.340 0.039 -0.155 0.273 74 L C -0.312 176.576 176.870 0.030 0.000 1.080 74 L CA -0.747 54.113 54.840 0.034 0.000 0.803 74 L CB 1.164 43.237 42.059 0.024 0.000 1.174 74 L HN 0.140 8.386 8.230 0.027 0.000 0.443 75 E N -0.188 120.034 120.200 0.037 0.000 2.343 75 E HA 0.275 4.641 4.350 0.026 0.000 0.270 75 E C -0.987 175.641 176.600 0.045 0.000 0.895 75 E CA -2.390 54.032 56.400 0.037 0.000 0.767 75 E CB 3.169 32.897 29.700 0.047 0.000 1.248 75 E HN 0.438 8.822 8.360 0.040 0.000 0.440 76 I N 2.250 122.850 120.570 0.049 0.000 2.517 76 I HA -0.284 3.945 4.170 0.097 0.000 0.285 76 I C 0.333 176.506 176.117 0.093 0.000 1.106 76 I CA 1.610 62.962 61.300 0.087 0.000 1.402 76 I CB -0.143 37.924 38.000 0.111 0.000 1.399 76 I HN 0.591 8.823 8.210 0.037 0.000 0.535 77 R N 7.530 128.087 120.500 0.096 0.000 2.121 77 R HA 0.146 4.532 4.340 0.077 0.000 0.206 77 R C 0.485 176.848 176.300 0.105 0.000 1.094 77 R CA 0.805 56.956 56.100 0.085 0.000 1.055 77 R CB 1.599 31.940 30.300 0.069 0.000 0.964 77 R HN 0.701 9.030 8.270 0.099 0.000 0.473 78 T N 0.305 114.926 114.554 0.112 0.000 2.896 78 T HA 0.270 4.710 4.350 0.150 0.000 0.297 78 T C -2.423 172.332 174.700 0.091 0.000 1.108 78 T CA -1.467 60.702 62.100 0.115 0.000 1.004 78 T CB 2.150 71.073 68.868 0.091 0.000 1.159 78 T HN -0.621 7.684 8.240 0.109 0.000 0.499 79 L N -0.768 120.469 121.223 0.024 0.000 2.409 79 L HA 1.012 5.434 4.340 -0.095 -0.139 0.262 79 L C -1.367 175.367 176.870 -0.226 0.000 0.992 79 L CA -1.467 53.319 54.840 -0.091 0.000 0.817 79 L CB 3.963 46.000 42.059 -0.036 0.000 1.350 79 L HN 0.138 8.379 8.230 0.018 0.000 0.411 80 G N -0.163 108.485 108.800 -0.253 0.000 2.976 80 G HA2 0.418 4.339 3.960 -0.271 0.000 0.276 80 G HA3 0.418 4.269 3.960 -0.183 0.000 0.276 80 G C -2.064 172.703 174.900 -0.221 0.000 1.207 80 G CA -0.307 44.653 45.100 -0.233 0.000 0.803 80 G HN 0.425 8.544 8.290 -0.285 0.000 0.572 81 S N -1.063 114.547 115.700 -0.149 0.000 2.704 81 S HA 0.989 5.524 4.470 -0.140 -0.148 0.296 81 S C -0.892 173.667 174.600 -0.069 0.000 1.138 81 S CA -1.595 56.536 58.200 -0.115 0.000 0.875 81 S CB 4.138 67.286 63.200 -0.088 0.000 1.151 81 S HN 0.060 8.296 8.310 -0.124 0.000 0.500 82 G N -2.076 106.697 108.800 -0.045 0.000 2.684 82 G HA2 0.797 5.016 3.960 -0.010 0.000 0.290 82 G HA3 0.797 4.749 3.960 -0.014 0.000 0.290 82 G C -3.119 171.780 174.900 -0.003 0.000 1.425 82 G CA -0.077 45.013 45.100 -0.016 0.000 0.822 82 G HN -0.152 8.111 8.290 -0.045 0.000 0.482 83 V N 0.393 120.314 119.914 0.011 0.000 2.525 83 V HA 0.360 4.618 4.120 0.011 -0.131 0.299 83 V C -1.035 175.073 176.094 0.023 0.000 1.034 83 V CA -1.299 61.011 62.300 0.016 0.000 0.863 83 V CB 3.295 35.130 31.823 0.019 0.000 0.999 83 V HN 0.201 8.400 8.190 0.015 0.000 0.423 84 I N 7.732 128.314 120.570 0.020 0.000 2.517 84 I HA -0.100 4.216 4.170 0.024 -0.132 0.285 84 I C 0.040 176.174 176.117 0.028 0.000 1.106 84 I CA 1.379 62.691 61.300 0.021 0.000 1.402 84 I CB 0.046 38.051 38.000 0.009 0.000 1.399 84 I HN 0.530 8.750 8.210 0.017 0.000 0.535 85 M N 5.566 125.195 119.600 0.048 0.000 2.534 85 M HA 0.094 4.596 4.480 0.036 0.000 0.263 85 M C -0.131 176.199 176.300 0.050 0.000 1.152 85 M CA -0.550 54.780 55.300 0.050 0.000 1.145 85 M CB 0.455 33.092 32.600 0.061 0.000 1.333 85 M HN 0.397 8.725 8.290 0.065 0.000 0.477 86 D N -5.400 115.040 120.400 0.068 0.000 2.639 86 D HA 0.136 4.800 4.640 0.040 0.000 0.271 86 D C -0.123 176.202 176.300 0.043 0.000 1.254 86 D CA -1.134 52.902 54.000 0.060 0.000 0.810 86 D CB 0.672 41.522 40.800 0.083 0.000 1.351 86 D HN -0.863 7.555 8.370 0.080 0.000 0.427 87 Q N -2.473 117.344 119.800 0.028 0.000 2.364 87 Q HA -0.225 4.108 4.340 -0.011 0.000 0.209 87 Q C 0.954 176.941 176.000 -0.021 0.000 0.977 87 Q CA 2.383 58.187 55.803 0.001 0.000 0.885 87 Q CB -0.327 28.413 28.738 0.004 0.000 0.941 87 Q HN 0.374 8.663 8.270 0.032 0.000 0.464 88 R N -3.845 116.663 120.500 0.013 0.000 2.235 88 R HA -0.265 4.043 4.340 -0.053 0.000 0.213 88 R C 0.247 176.418 176.300 -0.215 0.000 1.059 88 R CA 1.313 57.390 56.100 -0.039 0.000 0.997 88 R CB 0.618 30.988 30.300 0.116 0.000 0.884 88 R HN -0.603 7.840 8.270 0.067 -0.133 0.462 89 G N -3.833 104.857 108.800 -0.182 0.000 2.138 89 G HA2 -0.374 3.458 3.960 -0.214 0.000 0.193 89 G HA3 -0.374 3.549 3.960 -0.348 -0.171 0.193 89 G C -0.688 174.030 174.900 -0.304 0.000 0.998 89 G CA -0.347 44.588 45.100 -0.274 0.000 0.668 89 G HN -0.387 7.904 8.290 -0.080 -0.049 0.516 90 Y N 0.690 120.957 120.300 -0.055 0.000 2.335 90 Y HA 0.266 4.987 4.550 -0.040 -0.195 0.331 90 Y C -0.849 175.033 175.900 -0.031 0.000 1.094 90 Y CA 0.976 59.053 58.100 -0.038 0.000 1.253 90 Y CB 0.920 39.364 38.460 -0.027 0.000 1.203 90 Y HN -0.994 7.494 8.280 0.039 -0.184 0.508 91 I N 1.757 122.400 120.570 0.121 0.000 2.533 91 I HA 0.508 4.899 4.170 0.058 -0.186 0.290 91 I C -0.984 175.171 176.117 0.064 0.000 1.056 91 I CA -1.508 59.830 61.300 0.063 0.000 1.057 91 I CB 3.874 41.888 38.000 0.023 0.000 1.240 91 I HN 0.368 8.660 8.210 0.137 0.000 0.423 92 I N 7.208 127.807 120.570 0.049 0.000 2.396 92 I HA 0.587 4.943 4.170 0.040 -0.162 0.292 92 I C -0.720 175.412 176.117 0.026 0.000 0.999 92 I CA -0.542 60.781 61.300 0.038 0.000 1.310 92 I CB 1.796 39.818 38.000 0.037 0.000 1.404 92 I HN 0.322 8.560 8.210 0.046 0.000 0.496 93 T N 5.136 119.702 114.554 0.021 0.000 2.681 93 T HA 0.408 4.764 4.350 0.010 0.000 0.296 93 T C -1.891 172.819 174.700 0.017 0.000 1.157 93 T CA -2.804 59.304 62.100 0.013 0.000 1.025 93 T CB 1.585 70.455 68.868 0.003 0.000 1.441 93 T HN 0.446 8.700 8.240 0.022 0.000 0.504 94 N N 0.819 119.531 118.700 0.019 0.000 2.479 94 N HA 0.306 5.235 4.740 0.034 -0.168 0.285 94 N C 0.783 176.301 175.510 0.014 0.000 1.075 94 N CA -0.108 52.963 53.050 0.034 0.000 0.967 94 N CB 1.343 39.874 38.487 0.072 0.000 1.137 94 N HN 0.443 8.830 8.380 0.012 0.000 0.472 95 K N 5.278 125.659 120.400 -0.032 0.000 2.063 95 K HA -0.379 3.911 4.320 -0.049 0.000 0.208 95 K C 1.194 177.750 176.600 -0.074 0.000 1.048 95 K CA 2.950 59.187 56.287 -0.084 0.000 0.928 95 K CB 0.096 32.497 32.500 -0.165 0.000 0.713 95 K HN 0.122 8.311 8.250 -0.040 0.038 0.442 96 H N -2.367 116.713 119.070 0.016 0.000 2.422 96 H HA -0.219 4.348 4.556 0.019 0.000 0.298 96 H C 2.645 177.981 175.328 0.013 0.000 1.098 96 H CA 2.764 58.823 56.048 0.017 0.000 1.315 96 H CB -0.059 29.716 29.762 0.021 0.000 1.382 96 H HN -0.652 7.748 8.280 -0.084 -0.171 0.523 97 V N -3.436 116.546 119.914 0.113 0.000 2.427 97 V HA -0.298 3.852 4.120 0.051 0.000 0.248 97 V C 0.548 176.667 176.094 0.042 0.000 1.051 97 V CA 2.668 64.998 62.300 0.050 0.000 1.048 97 V CB 0.620 32.444 31.823 0.002 0.000 0.666 97 V HN -0.525 7.600 8.190 0.099 0.125 0.456 98 I N -9.903 110.688 120.570 0.034 0.000 4.025 98 I HA 0.174 4.366 4.170 0.035 0.000 0.336 98 I C -0.589 175.545 176.117 0.029 0.000 1.390 98 I CA -1.887 59.431 61.300 0.030 0.000 1.099 98 I CB 0.066 38.078 38.000 0.021 0.000 1.049 98 I HN -0.881 7.347 8.210 0.030 0.000 0.394 99 N N 3.598 122.317 118.700 0.033 0.000 2.492 99 N HA -0.110 4.639 4.740 0.015 0.000 0.262 99 N C -0.261 175.271 175.510 0.036 0.000 1.202 99 N CA 1.504 54.571 53.050 0.028 0.000 0.926 99 N CB 0.133 38.639 38.487 0.032 0.000 1.078 99 N HN -0.669 7.736 8.380 0.042 0.000 0.454 100 D N -4.423 115.993 120.400 0.027 0.000 3.041 100 D HA -0.352 4.302 4.640 0.023 0.000 0.220 100 D C -1.191 175.127 176.300 0.031 0.000 1.157 100 D CA 1.181 55.198 54.000 0.028 0.000 0.876 100 D CB -1.035 39.783 40.800 0.031 0.000 1.107 100 D HN 0.369 8.752 8.370 0.021 0.000 0.422 101 A N -2.010 120.830 122.820 0.033 0.000 2.401 101 A HA -0.117 4.344 4.320 0.042 -0.115 0.259 101 A C -0.322 177.282 177.584 0.033 0.000 1.103 101 A CA -0.094 51.966 52.037 0.038 0.000 0.789 101 A CB 0.569 19.595 19.000 0.044 0.000 1.035 101 A HN -0.708 7.426 8.150 0.032 0.035 0.491 102 D N 2.143 122.564 120.400 0.034 0.000 2.271 102 D HA -0.019 4.636 4.640 0.025 0.000 0.206 102 D C 0.204 176.524 176.300 0.032 0.000 0.967 102 D CA 1.912 55.929 54.000 0.029 0.000 0.867 102 D CB 1.117 41.933 40.800 0.026 0.000 0.960 102 D HN 0.003 8.395 8.370 0.037 0.000 0.509 103 Q N -2.066 117.759 119.800 0.041 0.000 2.313 103 Q HA 0.225 4.591 4.340 0.042 0.000 0.260 103 Q C -2.523 173.514 176.000 0.062 0.000 0.972 103 Q CA -0.125 55.706 55.803 0.046 0.000 0.886 103 Q CB 3.405 32.168 28.738 0.042 0.000 1.373 103 Q HN -0.747 7.550 8.270 0.045 0.000 0.416 104 I N 6.688 127.297 120.570 0.064 0.000 2.321 104 I HA 0.534 4.928 4.170 0.089 -0.170 0.291 104 I C -1.271 174.906 176.117 0.101 0.000 0.998 104 I CA -0.843 60.505 61.300 0.079 0.000 1.227 104 I CB 1.504 39.540 38.000 0.060 0.000 1.368 104 I HN 0.614 8.857 8.210 0.056 0.000 0.466 105 I N 7.362 128.020 120.570 0.146 0.000 2.441 105 I HA 0.589 4.993 4.170 0.148 -0.145 0.295 105 I C -1.260 174.988 176.117 0.219 0.000 0.994 105 I CA -2.911 58.498 61.300 0.181 0.000 1.144 105 I CB 1.984 40.099 38.000 0.192 0.000 1.314 105 I HN 0.460 8.772 8.210 0.171 0.000 0.445 106 V N 6.607 126.644 119.914 0.204 0.000 2.444 106 V HA 0.503 4.879 4.120 0.144 -0.170 0.294 106 V C -2.192 174.030 176.094 0.214 0.000 1.022 106 V CA -1.850 60.562 62.300 0.187 0.000 0.850 106 V CB 3.281 35.205 31.823 0.168 0.000 0.992 106 V HN 0.547 8.859 8.190 0.204 0.000 0.426 107 A N 7.532 130.468 122.820 0.194 0.000 2.304 107 A HA 0.764 5.308 4.320 0.131 -0.146 0.314 107 A C -1.764 175.894 177.584 0.123 0.000 1.187 107 A CA -2.225 49.913 52.037 0.168 0.000 0.810 107 A CB 2.702 21.853 19.000 0.251 0.000 1.183 107 A HN 0.748 8.995 8.150 0.161 0.000 0.487 108 L N 2.772 124.062 121.223 0.112 0.000 2.399 108 L HA 0.174 4.570 4.340 0.092 0.000 0.265 108 L C 1.788 178.697 176.870 0.065 0.000 1.089 108 L CA -0.662 54.237 54.840 0.099 0.000 0.802 108 L CB 1.395 43.534 42.059 0.134 0.000 1.180 108 L HN 0.232 8.523 8.230 0.101 0.000 0.454 109 Q N 2.573 122.406 119.800 0.054 0.000 2.364 109 Q HA -0.292 4.074 4.340 0.043 0.000 0.207 109 Q C 0.412 176.434 176.000 0.035 0.000 0.970 109 Q CA 2.569 58.398 55.803 0.042 0.000 0.888 109 Q CB -0.644 28.115 28.738 0.035 0.000 0.951 109 Q HN 0.886 9.188 8.270 0.054 0.000 0.469 110 D N -5.126 115.297 120.400 0.039 0.000 2.349 110 D HA -0.061 4.594 4.640 0.025 0.000 0.224 110 D C 0.761 177.070 176.300 0.015 0.000 1.029 110 D CA -0.564 53.454 54.000 0.030 0.000 0.879 110 D CB -0.946 39.877 40.800 0.038 0.000 0.906 110 D HN -0.525 7.837 8.370 0.049 0.038 0.528 111 G N -0.288 108.518 108.800 0.011 0.000 2.213 111 G HA2 -0.450 3.506 3.960 -0.006 0.000 0.226 111 G HA3 -0.450 3.500 3.960 -0.016 0.000 0.226 111 G C -0.351 174.515 174.900 -0.056 0.000 0.992 111 G CA -0.182 44.910 45.100 -0.013 0.000 0.632 111 G HN -0.415 7.726 8.290 0.022 0.162 0.511 112 R N 0.919 121.376 120.500 -0.071 0.000 2.543 112 R HA 0.040 4.223 4.340 -0.261 0.000 0.277 112 R C -1.298 174.827 176.300 -0.293 0.000 1.074 112 R CA 0.387 56.352 56.100 -0.226 0.000 1.076 112 R CB 1.207 31.386 30.300 -0.203 0.000 0.993 112 R HN -0.165 8.354 8.270 -0.025 -0.264 0.459 113 V N 2.183 121.802 119.914 -0.492 0.000 2.588 113 V HA 0.771 4.967 4.120 -0.162 -0.174 0.304 113 V C -0.447 175.321 176.094 -0.543 0.000 1.042 113 V CA -1.509 60.593 62.300 -0.330 0.000 0.877 113 V CB 2.588 34.317 31.823 -0.155 0.000 0.996 113 V HN 0.062 7.909 8.190 -0.571 0.000 0.425 114 F N 5.048 125.015 119.950 0.028 0.000 2.577 114 F HA 0.390 4.923 4.527 0.010 0.000 0.318 114 F C -1.376 174.438 175.800 0.023 0.000 1.065 114 F CA -1.624 56.386 58.000 0.016 0.000 0.929 114 F CB 4.234 43.238 39.000 0.006 0.000 1.237 114 F HN 0.371 8.749 8.300 0.130 0.000 0.468 115 E N 2.064 122.394 120.200 0.216 0.000 2.259 115 E HA 0.373 4.932 4.350 0.121 -0.136 0.281 115 E C -1.361 175.308 176.600 0.114 0.000 1.027 115 E CA -0.566 55.913 56.400 0.132 0.000 0.838 115 E CB 1.688 31.439 29.700 0.086 0.000 1.066 115 E HN 0.285 8.777 8.360 0.220 0.000 0.401 116 A N 6.001 128.872 122.820 0.084 0.000 2.312 116 A HA 0.574 5.043 4.320 0.018 -0.138 0.328 116 A C -1.479 176.119 177.584 0.025 0.000 1.158 116 A CA -1.541 50.521 52.037 0.041 0.000 0.821 116 A CB 2.402 21.427 19.000 0.042 0.000 1.170 116 A HN 0.318 8.521 8.150 0.088 0.000 0.490 117 L N 0.279 121.503 121.223 0.001 0.000 2.295 117 L HA 0.376 4.725 4.340 0.015 0.000 0.285 117 L C -0.758 176.121 176.870 0.015 0.000 1.035 117 L CA -1.607 53.236 54.840 0.006 0.000 0.806 117 L CB 2.373 44.428 42.059 -0.007 0.000 1.214 117 L HN 0.102 8.319 8.230 -0.021 0.000 0.426 118 L N 4.122 125.359 121.223 0.023 0.000 2.485 118 L HA -0.090 4.268 4.340 0.030 0.000 0.279 118 L C -0.114 176.777 176.870 0.035 0.000 1.124 118 L CA 0.842 55.699 54.840 0.027 0.000 0.888 118 L CB -1.396 40.677 42.059 0.022 0.000 1.217 118 L HN 0.389 8.632 8.230 0.022 0.000 0.464 119 V N 5.687 125.634 119.914 0.054 0.000 2.407 119 V HA -0.272 3.891 4.120 0.072 0.000 0.245 119 V C -0.182 175.938 176.094 0.043 0.000 1.041 119 V CA 2.050 64.394 62.300 0.074 0.000 1.040 119 V CB 0.550 32.460 31.823 0.145 0.000 0.671 119 V HN 0.342 8.569 8.190 0.061 0.000 0.455 120 G N -5.590 103.228 108.800 0.030 0.000 2.466 120 G HA2 0.139 4.103 3.960 0.007 0.000 0.291 120 G HA3 0.139 4.102 3.960 0.005 0.000 0.291 120 G C -3.485 171.415 174.900 0.001 0.000 1.460 120 G CA -0.075 45.031 45.100 0.010 0.000 0.791 120 G HN -0.887 7.424 8.290 0.035 0.000 0.505 121 S N -1.280 114.413 115.700 -0.012 0.000 2.546 121 S HA 0.601 5.179 4.470 -0.021 -0.121 0.274 121 S C -1.961 172.619 174.600 -0.032 0.000 1.121 121 S CA -1.454 56.732 58.200 -0.024 0.000 0.887 121 S CB 3.396 66.577 63.200 -0.031 0.000 1.094 121 S HN -0.082 8.220 8.310 -0.013 0.000 0.474 122 D N 1.518 121.894 120.400 -0.040 0.000 2.462 122 D HA 0.379 4.995 4.640 -0.040 0.000 0.245 122 D C 0.416 176.683 176.300 -0.055 0.000 1.122 122 D CA -1.644 52.330 54.000 -0.044 0.000 0.864 122 D CB 2.029 42.804 40.800 -0.042 0.000 1.098 122 D HN 0.000 8.345 8.370 -0.042 0.000 0.541 123 S N 4.868 120.535 115.700 -0.056 0.000 2.382 123 S HA -0.251 4.163 4.470 -0.094 0.000 0.228 123 S C 1.152 175.723 174.600 -0.049 0.000 1.027 123 S CA 2.369 60.530 58.200 -0.066 0.000 0.991 123 S CB -0.009 63.161 63.200 -0.051 0.000 0.823 123 S HN 0.294 8.575 8.310 -0.048 0.000 0.469 124 L N -0.970 120.228 121.223 -0.042 0.000 2.127 124 L HA -0.171 4.149 4.340 -0.032 0.000 0.211 124 L C 1.715 178.556 176.870 -0.049 0.000 1.089 124 L CA 1.901 56.717 54.840 -0.041 0.000 0.757 124 L CB 0.293 42.324 42.059 -0.047 0.000 0.899 124 L HN -0.503 7.864 8.230 -0.043 -0.164 0.434 125 T N -8.715 105.808 114.554 -0.052 0.000 3.040 125 T HA 0.103 4.406 4.350 -0.077 0.000 0.266 125 T C 0.340 175.033 174.700 -0.013 0.000 1.005 125 T CA -1.155 60.911 62.100 -0.057 0.000 0.906 125 T CB 1.776 70.599 68.868 -0.075 0.000 1.082 125 T HN -0.643 7.641 8.240 -0.050 -0.074 0.531 126 D N 0.296 120.682 120.400 -0.025 0.000 3.012 126 D HA -0.237 4.337 4.640 -0.110 0.000 0.222 126 D C -1.431 174.860 176.300 -0.016 0.000 1.167 126 D CA 1.509 55.487 54.000 -0.036 0.000 0.854 126 D CB -0.656 40.178 40.800 0.057 0.000 1.107 126 D HN -0.209 8.025 8.370 -0.043 0.110 0.421 127 L N -2.365 118.847 121.223 -0.019 0.000 2.360 127 L HA 0.473 4.958 4.340 0.007 -0.141 0.271 127 L C -1.691 175.168 176.870 -0.018 0.000 1.057 127 L CA -0.746 54.090 54.840 -0.008 0.000 0.803 127 L CB 2.306 44.362 42.059 -0.006 0.000 1.207 127 L HN -0.951 7.221 8.230 -0.028 0.041 0.445 128 A N 0.438 123.255 122.820 -0.005 0.000 2.498 128 A HA 0.832 5.270 4.320 -0.007 -0.123 0.298 128 A C -2.209 175.385 177.584 0.016 0.000 1.075 128 A CA -1.673 50.363 52.037 -0.001 0.000 0.714 128 A CB 3.979 22.977 19.000 -0.004 0.000 1.299 128 A HN 0.578 8.731 8.150 0.004 0.000 0.407 129 V N 0.550 120.480 119.914 0.027 0.000 2.555 129 V HA 0.813 5.145 4.120 0.060 -0.177 0.302 129 V C -1.056 175.082 176.094 0.074 0.000 1.038 129 V CA -1.750 60.586 62.300 0.059 0.000 0.887 129 V CB 2.358 34.219 31.823 0.064 0.000 0.991 129 V HN 0.264 8.468 8.190 0.023 0.000 0.434 130 L N 4.968 126.239 121.223 0.081 0.000 2.286 130 L HA 0.888 5.422 4.340 0.047 -0.166 0.265 130 L C -1.328 175.562 176.870 0.033 0.000 1.012 130 L CA -2.112 52.758 54.840 0.050 0.000 0.818 130 L CB 3.507 45.581 42.059 0.025 0.000 1.337 130 L HN 0.851 9.132 8.230 0.085 0.000 0.438 131 K N 0.519 120.887 120.400 -0.053 0.000 2.507 131 K HA 0.651 4.982 4.320 -0.315 -0.200 0.251 131 K C -1.527 174.955 176.600 -0.197 0.000 0.943 131 K CA -1.321 54.834 56.287 -0.220 0.000 0.794 131 K CB 2.829 35.166 32.500 -0.272 0.000 1.188 131 K HN 0.030 8.257 8.250 -0.037 0.000 0.428 132 I N 0.821 121.227 120.570 -0.274 0.000 2.693 132 I HA 0.492 4.543 4.170 -0.199 0.000 0.303 132 I C -2.000 173.902 176.117 -0.359 0.000 1.025 132 I CA -1.963 59.157 61.300 -0.301 0.000 1.086 132 I CB 2.743 40.477 38.000 -0.444 0.000 1.268 132 I HN 0.212 8.229 8.210 -0.322 0.000 0.440 133 N N 3.796 122.319 118.700 -0.294 0.000 2.501 133 N HA 0.209 4.811 4.740 -0.230 0.000 0.245 133 N C -1.350 174.018 175.510 -0.236 0.000 0.974 133 N CA -0.670 52.248 53.050 -0.219 0.000 0.941 133 N CB 0.663 39.091 38.487 -0.098 0.000 1.122 133 N HN 0.299 8.544 8.380 -0.226 0.000 0.507 134 A N 4.313 126.968 122.820 -0.275 0.000 2.401 134 A HA 0.435 4.737 4.320 -0.030 0.000 0.310 134 A C -0.309 177.251 177.584 -0.040 0.000 1.075 134 A CA -0.824 51.099 52.037 -0.190 0.000 0.746 134 A CB 2.189 20.925 19.000 -0.439 0.000 1.277 134 A HN 0.095 8.091 8.150 -0.257 0.000 0.425 135 T N -1.420 113.169 114.554 0.057 0.000 2.925 135 T HA -0.029 4.331 4.350 0.018 0.000 0.245 135 T C 1.320 176.044 174.700 0.039 0.000 1.025 135 T CA 0.715 62.840 62.100 0.042 0.000 1.149 135 T CB 0.241 69.143 68.868 0.057 0.000 0.866 135 T HN 0.074 8.392 8.240 0.130 0.000 0.437 136 G N 1.073 109.916 108.800 0.071 0.000 2.462 136 G HA2 -0.146 3.841 3.960 0.046 0.000 0.220 136 G HA3 -0.146 3.858 3.960 0.074 0.000 0.220 136 G C -0.425 174.498 174.900 0.039 0.000 1.121 136 G CA -0.080 45.054 45.100 0.058 0.000 0.758 136 G HN 0.011 8.366 8.290 0.108 0.000 0.559 137 G N -1.151 107.666 108.800 0.028 0.000 2.885 137 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.685 137 G HA3 -0.243 3.727 3.960 0.017 0.000 0.685 137 G C -2.490 172.422 174.900 0.020 0.000 1.216 137 G CA -0.796 44.312 45.100 0.014 0.000 0.790 137 G HN -0.697 7.568 8.290 0.024 0.040 0.631 138 L N 2.604 123.827 121.223 0.000 0.000 2.346 138 L HA 0.494 4.849 4.340 0.024 0.000 0.274 138 L C -2.025 174.851 176.870 0.011 0.000 1.007 138 L CA -3.206 51.635 54.840 0.002 0.000 0.818 138 L CB 1.963 43.997 42.059 -0.042 0.000 1.284 138 L HN -0.289 8.201 8.230 -0.008 -0.265 0.424 139 P HA 0.116 4.546 4.420 0.016 0.000 0.275 139 P C -1.592 175.716 177.300 0.013 0.000 1.227 139 P CA -0.485 62.627 63.100 0.019 0.000 0.781 139 P CB 0.286 32.003 31.700 0.027 0.000 0.906 140 T N -2.379 112.181 114.554 0.009 0.000 2.887 140 T HA 0.114 4.591 4.350 0.009 -0.122 0.288 140 T C -0.026 174.675 174.700 0.002 0.000 1.021 140 T CA -2.595 59.509 62.100 0.007 0.000 1.000 140 T CB 3.129 72.001 68.868 0.008 0.000 1.034 140 T HN -0.294 7.951 8.240 0.008 0.000 0.467 141 I N 2.930 123.500 120.570 -0.001 0.000 2.556 141 I HA 0.085 4.247 4.170 -0.014 0.000 0.284 141 I C -2.010 174.090 176.117 -0.029 0.000 1.114 141 I CA -2.303 58.989 61.300 -0.014 0.000 1.418 141 I CB 1.275 39.267 38.000 -0.013 0.000 1.394 141 I HN -0.189 8.023 8.210 0.004 0.000 0.552 142 P HA 0.071 4.464 4.420 -0.045 0.000 0.271 142 P C -1.797 175.440 177.300 -0.105 0.000 1.220 142 P CA -0.191 62.873 63.100 -0.059 0.000 0.768 142 P CB 0.433 32.099 31.700 -0.056 0.000 0.848 143 I N 2.471 122.978 120.570 -0.104 0.000 2.466 143 I HA 0.165 4.166 4.170 -0.282 0.000 0.289 143 I C -1.261 174.772 176.117 -0.141 0.000 1.026 143 I CA -0.492 60.707 61.300 -0.169 0.000 1.078 143 I CB 3.343 41.294 38.000 -0.082 0.000 1.249 143 I HN -0.012 8.155 8.210 -0.072 0.000 0.429 144 N N 7.375 125.940 118.700 -0.225 0.000 2.621 144 N HA 0.125 4.833 4.740 -0.054 0.000 0.237 144 N C 0.137 175.634 175.510 -0.022 0.000 0.997 144 N CA -1.488 51.496 53.050 -0.109 0.000 0.918 144 N CB 0.209 38.634 38.487 -0.103 0.000 1.122 144 N HN 0.239 8.392 8.380 -0.379 0.000 0.510 145 A N 5.264 128.139 122.820 0.092 0.000 2.125 145 A HA -0.167 4.430 4.320 0.462 0.000 0.219 145 A C 0.555 178.261 177.584 0.203 0.000 1.156 145 A CA 2.018 54.197 52.037 0.238 0.000 0.671 145 A CB -0.090 18.996 19.000 0.144 0.000 0.794 145 A HN 0.736 8.922 8.150 0.060 0.000 0.459 146 R N -4.316 116.256 120.500 0.121 0.000 2.312 146 R HA 0.072 4.464 4.340 0.087 0.000 0.205 146 R C -0.009 176.347 176.300 0.094 0.000 0.904 146 R CA -0.372 55.782 56.100 0.090 0.000 1.052 146 R CB 0.518 30.850 30.300 0.053 0.000 1.014 146 R HN -0.612 7.919 8.270 0.086 -0.209 0.503 147 R N 1.973 122.540 120.500 0.111 0.000 2.401 147 R HA -0.129 4.245 4.340 0.056 0.000 0.299 147 R C -0.804 175.567 176.300 0.119 0.000 1.064 147 R CA 0.107 56.255 56.100 0.080 0.000 1.000 147 R CB -0.057 30.247 30.300 0.007 0.000 0.973 147 R HN -0.612 7.816 8.270 0.114 -0.090 0.438 148 V N 7.697 127.610 119.914 -0.001 0.000 2.333 148 V HA 0.186 4.279 4.120 -0.045 0.000 0.274 148 V C -1.782 174.096 176.094 -0.361 0.000 1.028 148 V CA -2.942 59.276 62.300 -0.138 0.000 0.851 148 V CB 0.864 32.577 31.823 -0.184 0.000 1.000 148 V HN 0.093 8.278 8.190 -0.008 0.000 0.456 149 P HA -0.048 4.311 4.420 -0.102 0.000 0.267 149 P C -1.556 175.558 177.300 -0.311 0.000 1.205 149 P CA -0.170 62.838 63.100 -0.152 0.000 0.765 149 P CB 0.551 32.257 31.700 0.011 0.000 0.828 150 H N 2.980 122.075 119.070 0.042 0.000 2.569 150 H HA 0.266 4.839 4.556 0.029 0.000 0.357 150 H C -0.006 175.334 175.328 0.021 0.000 1.153 150 H CA -1.384 54.681 56.048 0.029 0.000 1.193 150 H CB 3.873 33.649 29.762 0.023 0.000 1.602 150 H HN 0.082 8.670 8.280 0.004 -0.306 0.523 151 I N 2.229 122.890 120.570 0.151 0.000 2.683 151 I HA -0.607 3.715 4.170 0.061 -0.115 0.286 151 I C 1.294 177.451 176.117 0.067 0.000 1.175 151 I CA 2.246 63.595 61.300 0.080 0.000 1.429 151 I CB -0.515 37.521 38.000 0.060 0.000 1.371 151 I HN 0.577 8.887 8.210 0.166 0.000 0.569 152 G N 6.811 115.634 108.800 0.038 0.000 2.232 152 G HA2 -0.394 3.573 3.960 0.011 0.000 0.226 152 G HA3 -0.394 3.582 3.960 0.027 0.000 0.226 152 G C -0.392 174.522 174.900 0.024 0.000 0.996 152 G CA -0.546 44.569 45.100 0.024 0.000 0.626 152 G HN 0.434 8.740 8.290 0.027 0.000 0.509 153 D N 2.620 123.044 120.400 0.041 0.000 2.493 153 D HA -0.080 4.581 4.640 0.036 0.000 0.240 153 D C 0.053 176.341 176.300 -0.020 0.000 1.142 153 D CA 1.448 55.465 54.000 0.028 0.000 0.872 153 D CB 0.409 41.236 40.800 0.045 0.000 1.173 153 D HN -0.449 7.892 8.370 0.060 0.065 0.467 154 V N 2.618 122.503 119.914 -0.048 0.000 2.585 154 V HA -0.031 4.167 4.120 -0.136 -0.159 0.296 154 V C -0.048 175.946 176.094 -0.166 0.000 1.035 154 V CA 1.019 63.233 62.300 -0.142 0.000 1.084 154 V CB 0.031 31.712 31.823 -0.236 0.000 0.953 154 V HN 0.172 8.347 8.190 -0.026 0.000 0.483 155 V N 0.323 120.131 119.914 -0.176 0.000 3.040 155 V HA 1.015 5.219 4.120 -0.139 -0.167 0.312 155 V C -1.602 174.392 176.094 -0.166 0.000 1.115 155 V CA -3.409 58.805 62.300 -0.143 0.000 0.998 155 V CB 4.019 35.796 31.823 -0.078 0.000 1.042 155 V HN 0.191 8.171 8.190 -0.174 0.106 0.433 156 L N 0.281 121.429 121.223 -0.126 0.000 2.341 156 L HA 0.915 5.412 4.340 -0.102 -0.219 0.278 156 L C -0.969 175.869 176.870 -0.054 0.000 1.005 156 L CA -2.158 52.626 54.840 -0.094 0.000 0.818 156 L CB 3.019 45.032 42.059 -0.076 0.000 1.259 156 L HN 0.356 8.522 8.230 -0.106 0.000 0.418 157 A N 2.922 125.717 122.820 -0.042 0.000 2.309 157 A HA 0.825 5.299 4.320 -0.024 -0.168 0.298 157 A C -1.328 176.244 177.584 -0.019 0.000 1.165 157 A CA -1.810 50.211 52.037 -0.027 0.000 0.821 157 A CB 2.134 21.117 19.000 -0.028 0.000 1.102 157 A HN 0.547 8.671 8.150 -0.044 0.000 0.500 158 I N 2.141 122.701 120.570 -0.016 0.000 2.439 158 I HA 0.704 5.059 4.170 -0.009 -0.190 0.285 158 I C -0.801 175.304 176.117 -0.020 0.000 1.021 158 I CA -1.296 59.996 61.300 -0.013 0.000 1.091 158 I CB 2.115 40.110 38.000 -0.008 0.000 1.242 158 I HN 0.273 8.473 8.210 -0.016 0.000 0.439 159 G N 5.088 113.873 108.800 -0.025 0.000 2.561 159 G HA2 0.283 4.215 3.960 -0.047 0.000 0.310 159 G HA3 0.283 4.210 3.960 -0.056 0.000 0.310 159 G C -3.330 171.543 174.900 -0.046 0.000 1.292 159 G CA 0.529 45.602 45.100 -0.045 0.000 0.811 159 G HN -0.256 8.023 8.290 -0.018 0.000 0.482 160 N N 0.502 119.155 118.700 -0.078 0.000 2.918 160 N HA 0.678 5.555 4.740 -0.027 -0.153 0.270 160 N C -2.027 173.434 175.510 -0.081 0.000 1.536 160 N CA -3.704 49.307 53.050 -0.065 0.000 0.877 160 N CB 1.920 40.350 38.487 -0.095 0.000 1.190 160 N HN -0.194 8.123 8.380 -0.105 0.000 0.492 161 P HA 0.137 4.597 4.420 -0.258 -0.194 0.276 161 P C 0.004 177.321 177.300 0.029 0.000 1.235 161 P CA -0.004 63.024 63.100 -0.120 0.000 0.772 161 P CB 0.046 31.724 31.700 -0.037 0.000 0.871 162 Y N 0.047 120.393 120.300 0.077 0.000 4.079 162 Y HA -0.515 4.139 4.550 0.173 0.000 0.223 162 Y C -0.987 174.967 175.900 0.089 0.000 1.155 162 Y CA 1.240 59.408 58.100 0.113 0.000 1.805 162 Y CB -2.420 36.092 38.460 0.087 0.000 1.571 162 Y HN 0.308 8.367 8.280 -0.368 0.000 0.654 163 N N -3.135 115.659 118.700 0.156 0.000 2.708 163 N HA -0.348 4.605 4.740 0.120 -0.141 0.249 163 N C 0.506 176.101 175.510 0.141 0.000 1.097 163 N CA 1.104 54.244 53.050 0.150 0.000 0.710 163 N CB -0.700 37.902 38.487 0.192 0.000 1.032 163 N HN -0.363 8.033 8.380 0.081 0.032 0.551 164 L N -2.071 119.233 121.223 0.135 0.000 2.376 164 L HA -0.148 4.254 4.340 0.103 0.000 0.219 164 L C 0.938 177.858 176.870 0.082 0.000 1.133 164 L CA 1.233 56.138 54.840 0.108 0.000 0.816 164 L CB 0.353 42.480 42.059 0.113 0.000 0.933 164 L HN -0.464 7.827 8.230 0.145 0.026 0.449 165 G N -3.498 105.348 108.800 0.077 0.000 2.497 165 G HA2 -0.272 3.730 3.960 0.070 0.000 0.686 165 G HA3 -0.272 3.724 3.960 0.059 0.000 0.686 165 G C -2.266 172.659 174.900 0.042 0.000 1.288 165 G CA -0.918 44.219 45.100 0.062 0.000 0.899 165 G HN -0.481 8.126 8.290 0.078 -0.270 0.608 166 Q N 1.948 121.767 119.800 0.032 0.000 2.308 166 Q HA -0.216 4.320 4.340 0.008 -0.191 0.313 166 Q C -0.348 175.666 176.000 0.023 0.000 1.075 166 Q CA 1.470 57.285 55.803 0.019 0.000 0.995 166 Q CB 0.456 29.206 28.738 0.019 0.000 1.107 166 Q HN 0.357 8.649 8.270 0.037 0.000 0.380 167 T N 9.337 123.901 114.554 0.017 0.000 2.848 167 T HA 0.242 4.609 4.350 0.028 0.000 0.285 167 T C -1.820 172.888 174.700 0.015 0.000 0.995 167 T CA -0.772 61.341 62.100 0.022 0.000 0.970 167 T CB 1.905 70.791 68.868 0.031 0.000 0.976 167 T HN 0.609 8.854 8.240 0.008 0.000 0.441 168 I N 5.485 126.067 120.570 0.020 0.000 2.339 168 I HA 0.747 5.127 4.170 0.007 -0.206 0.290 168 I C 0.187 176.313 176.117 0.015 0.000 0.994 168 I CA -2.419 58.891 61.300 0.015 0.000 1.191 168 I CB 0.360 38.374 38.000 0.025 0.000 1.343 168 I HN 0.353 8.578 8.210 0.025 0.000 0.458 169 T N 4.774 119.329 114.554 0.001 0.000 2.908 169 T HA 0.365 4.720 4.350 0.008 0.000 0.290 169 T C -1.897 172.786 174.700 -0.029 0.000 1.034 169 T CA -2.032 60.066 62.100 -0.003 0.000 1.010 169 T CB 2.516 71.382 68.868 -0.003 0.000 1.068 169 T HN 0.111 8.347 8.240 -0.007 0.000 0.481 170 Q N 4.837 124.617 119.800 -0.033 0.000 2.353 170 Q HA 0.753 5.200 4.340 -0.114 -0.175 0.268 170 Q C -1.126 174.830 176.000 -0.073 0.000 1.045 170 Q CA -1.124 54.632 55.803 -0.080 0.000 0.811 170 Q CB 3.398 32.090 28.738 -0.076 0.000 1.305 170 Q HN 0.061 8.321 8.270 -0.016 0.000 0.447 171 G N 4.435 113.175 108.800 -0.101 0.000 2.772 171 G HA2 0.725 4.647 3.960 -0.064 0.000 0.284 171 G HA3 0.725 4.832 3.960 -0.071 -0.189 0.284 171 G C -2.636 172.209 174.900 -0.092 0.000 1.217 171 G CA 0.152 45.205 45.100 -0.079 0.000 0.831 171 G HN 0.405 8.618 8.290 -0.128 0.000 0.523 172 I N -5.810 114.719 120.570 -0.069 0.000 3.174 172 I HA 0.961 5.271 4.170 -0.066 -0.179 0.313 172 I C -1.076 175.014 176.117 -0.044 0.000 1.155 172 I CA -2.672 58.594 61.300 -0.056 0.000 0.977 172 I CB 4.528 42.506 38.000 -0.036 0.000 1.248 172 I HN 0.425 8.902 8.210 -0.064 -0.305 0.453 173 I N 1.284 121.841 120.570 -0.023 0.000 2.436 173 I HA 0.018 4.300 4.170 -0.016 -0.121 0.289 173 I C 0.523 176.635 176.117 -0.009 0.000 1.083 173 I CA 0.737 62.032 61.300 -0.008 0.000 1.372 173 I CB -0.556 37.455 38.000 0.018 0.000 1.408 173 I HN -0.027 8.174 8.210 -0.016 0.000 0.516 174 S N 9.211 124.895 115.700 -0.027 0.000 2.470 174 S HA -0.037 4.417 4.470 -0.027 0.000 0.225 174 S C -0.892 173.706 174.600 -0.004 0.000 1.006 174 S CA 1.256 59.437 58.200 -0.031 0.000 0.934 174 S CB 0.490 63.645 63.200 -0.074 0.000 0.778 174 S HN 0.667 8.844 8.310 -0.040 0.109 0.517 175 A N -2.232 120.599 122.820 0.019 0.000 2.590 175 A HA 0.271 4.616 4.320 0.042 0.000 0.294 175 A C -2.681 174.945 177.584 0.069 0.000 1.046 175 A CA 0.380 52.445 52.037 0.046 0.000 0.684 175 A CB 2.041 21.075 19.000 0.057 0.000 1.279 175 A HN -0.889 7.243 8.150 0.019 0.030 0.415 176 T N -1.431 113.163 114.554 0.067 0.000 3.438 176 T HA 0.110 4.506 4.350 0.076 0.000 0.244 176 T C 0.145 174.882 174.700 0.061 0.000 1.269 176 T CA -1.771 60.367 62.100 0.063 0.000 1.371 176 T CB 0.080 68.971 68.868 0.038 0.000 1.002 176 T HN 0.279 8.555 8.240 0.060 0.000 0.637 177 G N 2.670 111.526 108.800 0.094 0.000 2.603 177 G HA2 -0.292 3.830 3.960 0.104 0.000 0.686 177 G HA3 -0.292 3.730 3.960 0.046 -0.035 0.686 177 G C -2.026 172.917 174.900 0.072 0.000 1.286 177 G CA -0.449 44.698 45.100 0.079 0.000 0.871 177 G HN -0.342 8.024 8.290 0.127 0.000 0.568 178 R N -0.617 119.918 120.500 0.057 0.000 2.673 178 R HA 0.294 4.662 4.340 0.047 0.000 0.281 178 R C -0.051 176.265 176.300 0.027 0.000 0.991 178 R CA -2.186 53.943 56.100 0.049 0.000 0.896 178 R CB 2.351 32.688 30.300 0.063 0.000 1.201 178 R HN 0.038 8.228 8.270 0.047 0.108 0.457 179 I N -0.106 120.477 120.570 0.022 0.000 2.400 179 I HA -0.104 4.071 4.170 0.008 0.000 0.248 179 I C 0.936 177.060 176.117 0.011 0.000 1.109 179 I CA 0.713 62.021 61.300 0.013 0.000 1.425 179 I CB 0.116 38.122 38.000 0.011 0.000 1.094 179 I HN 0.120 8.344 8.210 0.024 0.000 0.425 180 G N -1.677 107.132 108.800 0.015 0.000 2.552 180 G HA2 0.205 4.170 3.960 0.009 0.000 0.318 180 G HA3 0.205 4.172 3.960 0.013 0.000 0.318 180 G C -1.549 173.361 174.900 0.016 0.000 1.240 180 G CA -0.938 44.170 45.100 0.013 0.000 1.002 180 G HN -0.590 7.711 8.290 0.018 0.000 0.493 181 L N -1.042 120.189 121.223 0.014 0.000 2.485 181 L HA -0.103 4.247 4.340 0.016 0.000 0.275 181 L C -0.188 176.696 176.870 0.022 0.000 1.207 181 L CA 0.697 55.547 54.840 0.016 0.000 0.855 181 L CB -0.226 41.841 42.059 0.013 0.000 1.114 181 L HN 0.085 8.322 8.230 0.012 0.000 0.485 182 N N 2.694 121.410 118.700 0.026 0.000 2.825 182 N HA 0.342 5.100 4.740 0.030 0.000 0.253 182 N C -1.836 173.693 175.510 0.032 0.000 1.426 182 N CA -1.160 51.909 53.050 0.031 0.000 0.851 182 N CB -0.022 38.488 38.487 0.038 0.000 1.470 182 N HN -0.291 8.104 8.380 0.026 0.000 0.517 183 P HA -0.093 4.358 4.420 0.053 0.000 0.228 183 P C -0.238 177.071 177.300 0.015 0.000 1.151 183 P CA 1.818 64.951 63.100 0.056 0.000 0.770 183 P CB 0.008 31.782 31.700 0.123 0.000 0.786 184 T N -6.523 108.008 114.554 -0.038 0.000 3.067 184 T HA -0.047 4.199 4.350 -0.173 0.000 0.261 184 T C 1.247 175.965 174.700 0.030 0.000 1.110 184 T CA 0.117 62.156 62.100 -0.103 0.000 1.113 184 T CB 0.563 69.305 68.868 -0.209 0.000 0.917 184 T HN -0.454 8.002 8.240 -0.023 -0.230 0.499 185 G N 1.789 110.610 108.800 0.035 0.000 2.184 185 G HA2 -0.377 3.599 3.960 0.025 0.000 0.264 185 G HA3 -0.377 3.604 3.960 0.034 0.000 0.264 185 G C -0.522 174.399 174.900 0.036 0.000 0.975 185 G CA 0.196 45.316 45.100 0.035 0.000 0.642 185 G HN -0.244 8.032 8.290 0.028 0.030 0.536 186 R N -2.501 118.037 120.500 0.064 0.000 2.888 186 R HA 0.350 4.672 4.340 -0.029 0.000 0.264 186 R C -1.405 174.905 176.300 0.017 0.000 1.045 186 R CA -2.353 53.750 56.100 0.004 0.000 0.962 186 R CB 2.124 32.364 30.300 -0.099 0.000 1.210 186 R HN -0.577 7.692 8.270 0.102 0.062 0.479 187 Q N -2.655 117.120 119.800 -0.042 0.000 2.189 187 Q HA 0.156 4.507 4.340 0.019 0.000 0.223 187 Q C -0.195 175.789 176.000 -0.026 0.000 0.828 187 Q CA 0.308 56.102 55.803 -0.015 0.000 0.967 187 Q CB 1.239 29.962 28.738 -0.026 0.000 1.139 187 Q HN 0.477 8.692 8.270 -0.092 0.000 0.497 188 N N -2.930 115.714 118.700 -0.094 0.000 2.194 188 N HA 0.039 4.752 4.740 -0.046 0.000 0.231 188 N C -1.284 174.178 175.510 -0.081 0.000 1.247 188 N CA -1.068 51.921 53.050 -0.102 0.000 0.884 188 N CB -0.610 37.783 38.487 -0.157 0.000 1.146 188 N HN -0.101 8.178 8.380 -0.169 0.000 0.516 189 F N 0.157 120.124 119.950 0.029 0.000 2.529 189 F HA -0.115 4.571 4.527 0.076 -0.114 0.365 189 F C -0.390 175.477 175.800 0.111 0.000 1.102 189 F CA 1.332 59.384 58.000 0.086 0.000 1.271 189 F CB 0.583 39.660 39.000 0.129 0.000 1.120 189 F HN -0.638 7.731 8.300 0.115 0.000 0.579 190 L N 1.491 122.920 121.223 0.343 0.000 2.331 190 L HA 0.097 4.704 4.340 0.174 -0.162 0.278 190 L C -0.741 176.270 176.870 0.234 0.000 1.106 190 L CA -0.469 54.504 54.840 0.221 0.000 0.824 190 L CB 0.411 42.561 42.059 0.153 0.000 1.142 190 L HN 0.051 8.487 8.230 0.342 0.000 0.443 191 Q N 4.371 124.247 119.800 0.127 0.000 2.274 191 Q HA 0.801 5.241 4.340 -0.152 -0.190 0.260 191 Q C -0.931 175.006 176.000 -0.106 0.000 0.974 191 Q CA -1.546 54.225 55.803 -0.054 0.000 0.876 191 Q CB 3.498 32.203 28.738 -0.055 0.000 1.297 191 Q HN 0.163 8.500 8.270 0.112 0.000 0.446 192 T N 3.688 118.120 114.554 -0.203 0.000 2.894 192 T HA 0.629 5.058 4.350 -0.105 -0.142 0.309 192 T C -1.699 172.900 174.700 -0.168 0.000 1.208 192 T CA -2.524 59.494 62.100 -0.138 0.000 1.016 192 T CB 1.510 70.326 68.868 -0.088 0.000 1.192 192 T HN 0.470 8.516 8.240 -0.323 0.000 0.491 193 D N 4.265 124.594 120.400 -0.118 0.000 2.368 193 D HA 0.177 4.794 4.640 -0.124 -0.052 0.218 193 D C 0.056 176.311 176.300 -0.076 0.000 1.112 193 D CA -1.763 52.175 54.000 -0.103 0.000 0.834 193 D CB -0.255 40.496 40.800 -0.083 0.000 0.953 193 D HN -0.025 8.287 8.370 -0.097 0.000 0.505 194 A N 1.432 124.208 122.820 -0.075 0.000 2.515 194 A HA -0.165 4.124 4.320 -0.052 0.000 0.263 194 A C -0.438 177.117 177.584 -0.048 0.000 1.096 194 A CA 0.834 52.836 52.037 -0.058 0.000 0.769 194 A CB 0.169 19.133 19.000 -0.060 0.000 1.040 194 A HN -0.711 7.341 8.150 -0.081 0.049 0.505 195 S N 2.818 118.501 115.700 -0.029 0.000 2.629 195 S HA -0.158 4.302 4.470 -0.017 0.000 0.302 195 S C -0.727 173.866 174.600 -0.012 0.000 1.244 195 S CA 0.832 59.024 58.200 -0.013 0.000 1.098 195 S CB -0.157 63.048 63.200 0.008 0.000 0.858 195 S HN 0.224 8.519 8.310 -0.024 0.000 0.502 196 I N 7.416 127.976 120.570 -0.017 0.000 2.404 196 I HA 0.123 4.277 4.170 -0.026 0.000 0.293 196 I C -1.392 174.718 176.117 -0.012 0.000 0.992 196 I CA -1.518 59.769 61.300 -0.022 0.000 1.149 196 I CB 0.854 38.834 38.000 -0.032 0.000 1.315 196 I HN 0.358 8.556 8.210 -0.020 0.000 0.446 197 N N 5.051 123.725 118.700 -0.043 0.000 2.509 197 N HA 0.298 5.024 4.740 -0.024 0.000 0.280 197 N C -1.667 173.722 175.510 -0.202 0.000 1.306 197 N CA -1.566 51.434 53.050 -0.084 0.000 0.782 197 N CB 4.434 42.887 38.487 -0.057 0.000 1.493 197 N HN 0.112 8.767 8.380 -0.062 -0.312 0.498 198 H N 0.453 119.277 119.070 -0.410 0.000 3.157 198 H HA -0.274 4.141 4.556 -0.236 0.000 0.299 198 H C 0.543 175.611 175.328 -0.434 0.000 0.961 198 H CA 2.461 58.273 56.048 -0.394 0.000 1.428 198 H CB 0.443 29.971 29.762 -0.390 0.000 1.459 198 H HN 0.496 8.640 8.280 -0.228 0.000 0.566 199 G N 5.996 114.384 108.800 -0.687 0.000 2.253 199 G HA2 -0.456 3.372 3.960 -0.515 0.000 0.209 199 G HA3 -0.456 3.411 3.960 -0.406 -0.150 0.209 199 G C -0.749 173.987 174.900 -0.272 0.000 0.997 199 G CA -0.127 44.689 45.100 -0.474 0.000 0.640 199 G HN 0.485 8.367 8.290 -0.679 0.000 0.496 203 G N 1.089 109.881 108.800 -0.014 0.000 2.563 203 G HA2 0.393 4.343 3.960 -0.016 0.000 0.283 203 G HA3 0.393 4.472 3.960 -0.025 -0.134 0.283 203 G C -2.295 172.608 174.900 0.005 0.000 1.309 203 G CA -0.956 44.136 45.100 -0.014 0.000 1.022 203 G HN -0.431 7.847 8.290 -0.020 0.000 0.501 204 A N -2.217 120.603 122.820 0.001 0.000 2.312 204 A HA 0.561 5.022 4.320 0.018 -0.130 0.328 204 A C -2.151 175.434 177.584 0.002 0.000 1.158 204 A CA -1.719 50.322 52.037 0.007 0.000 0.821 204 A CB 2.718 21.717 19.000 -0.002 0.000 1.170 204 A HN -0.205 7.942 8.150 -0.006 0.000 0.490 205 L N 3.628 124.857 121.223 0.010 0.000 2.305 205 L HA 0.937 5.477 4.340 -0.013 -0.208 0.284 205 L C -1.611 175.251 176.870 -0.014 0.000 1.013 205 L CA -1.189 53.651 54.840 -0.000 0.000 0.819 205 L CB 3.176 45.246 42.059 0.019 0.000 1.227 205 L HN -0.146 8.098 8.230 0.024 0.000 0.417 206 V N 1.251 121.144 119.914 -0.036 0.000 3.046 206 V HA 0.990 5.223 4.120 -0.063 -0.150 0.316 206 V C -1.498 174.558 176.094 -0.063 0.000 1.104 206 V CA -3.890 58.377 62.300 -0.054 0.000 1.006 206 V CB 3.752 35.544 31.823 -0.051 0.000 1.058 206 V HN 0.536 8.702 8.190 -0.039 0.000 0.440 207 N N 0.121 118.782 118.700 -0.065 0.000 2.431 207 N HA 0.506 5.371 4.740 -0.075 -0.170 0.289 207 N C 2.015 177.495 175.510 -0.049 0.000 1.277 207 N CA -1.659 51.354 53.050 -0.060 0.000 0.972 207 N CB 0.887 39.350 38.487 -0.040 0.000 1.143 207 N HN -0.177 8.160 8.380 -0.073 0.000 0.578 208 S N -0.912 114.772 115.700 -0.027 0.000 2.500 208 S HA -0.194 4.313 4.470 0.063 0.000 0.239 208 S C 0.715 175.360 174.600 0.075 0.000 0.989 208 S CA 2.442 60.678 58.200 0.061 0.000 0.951 208 S CB -0.709 62.583 63.200 0.153 0.000 0.759 208 S HN 0.384 8.678 8.310 -0.027 0.000 0.523 209 L N -3.005 118.234 121.223 0.026 0.000 2.585 209 L HA 0.223 4.580 4.340 0.029 0.000 0.226 209 L C 0.744 177.612 176.870 -0.004 0.000 1.113 209 L CA -0.188 54.660 54.840 0.014 0.000 0.876 209 L CB 0.142 42.201 42.059 -0.001 0.000 1.072 209 L HN -0.587 7.854 8.230 0.006 -0.207 0.468 210 G N -2.020 106.772 108.800 -0.014 0.000 2.176 210 G HA2 -0.469 3.479 3.960 -0.021 0.000 0.253 210 G HA3 -0.469 3.482 3.960 -0.016 0.000 0.253 210 G C -0.519 174.345 174.900 -0.059 0.000 0.979 210 G CA -0.052 45.033 45.100 -0.026 0.000 0.641 210 G HN -0.234 7.956 8.290 -0.014 0.092 0.530 211 E N 0.044 120.192 120.200 -0.086 0.000 2.338 211 E HA -0.135 4.267 4.350 -0.155 -0.145 0.272 211 E C -0.632 175.849 176.600 -0.198 0.000 1.029 211 E CA -0.427 55.879 56.400 -0.156 0.000 0.872 211 E CB 0.927 30.519 29.700 -0.180 0.000 1.015 211 E HN -0.664 7.828 8.360 -0.073 -0.176 0.417 212 L N 4.949 126.017 121.223 -0.257 0.000 2.462 212 L HA -0.207 4.169 4.340 -0.127 -0.112 0.272 212 L C -0.786 175.891 176.870 -0.322 0.000 1.166 212 L CA 1.337 56.043 54.840 -0.224 0.000 0.880 212 L CB 0.329 42.288 42.059 -0.167 0.000 1.142 212 L HN -0.057 8.014 8.230 -0.266 0.000 0.473 213 M N 3.710 123.267 119.600 -0.072 0.000 2.657 213 M HA 0.168 4.750 4.480 0.171 0.000 0.262 213 M C 0.050 176.514 176.300 0.273 0.000 1.213 213 M CA 0.406 55.776 55.300 0.116 0.000 1.182 213 M CB 1.683 34.323 32.600 0.067 0.000 1.303 213 M HN 0.648 8.915 8.290 -0.039 0.000 0.501 214 G N -4.189 104.708 108.800 0.162 0.000 2.559 214 G HA2 0.373 4.587 3.960 0.190 0.000 0.291 214 G HA3 0.373 4.399 3.960 0.146 0.022 0.291 214 G C -2.936 172.031 174.900 0.111 0.000 1.424 214 G CA 0.318 45.513 45.100 0.157 0.000 0.786 214 G HN -0.600 7.751 8.290 0.101 0.000 0.485 215 I N -0.909 119.729 120.570 0.112 0.000 2.355 215 I HA 0.585 4.972 4.170 0.069 -0.175 0.288 215 I C -0.721 175.459 176.117 0.106 0.000 0.999 215 I CA -3.567 57.786 61.300 0.089 0.000 1.163 215 I CB 0.561 38.609 38.000 0.080 0.000 1.316 215 I HN 0.103 8.388 8.210 0.125 0.000 0.454 216 N N 8.504 127.249 118.700 0.075 0.000 2.483 216 N HA -0.015 4.914 4.740 0.098 -0.129 0.264 216 N C -0.012 175.551 175.510 0.089 0.000 1.197 216 N CA 1.384 54.480 53.050 0.075 0.000 0.927 216 N CB 0.502 39.006 38.487 0.029 0.000 1.065 216 N HN 0.160 8.572 8.380 0.053 0.000 0.461 217 T N 3.474 118.103 114.554 0.125 0.000 3.313 217 T HA 0.501 5.203 4.350 0.120 -0.280 0.266 217 T C -0.253 174.515 174.700 0.114 0.000 0.987 217 T CA 0.556 62.742 62.100 0.144 0.000 1.086 217 T CB 2.325 71.340 68.868 0.246 0.000 1.159 217 T HN 0.313 8.634 8.240 0.135 0.000 0.450 218 L N 0.724 122.020 121.223 0.121 0.000 2.354 218 L HA 0.357 4.745 4.340 0.080 0.000 0.269 218 L C -2.027 174.946 176.870 0.172 0.000 1.005 218 L CA -1.069 53.845 54.840 0.123 0.000 0.819 218 L CB 3.372 45.470 42.059 0.064 0.000 1.311 218 L HN -0.733 7.584 8.230 0.144 0.000 0.423 219 S N -0.586 115.195 115.700 0.136 0.000 2.542 219 S HA 0.220 4.757 4.470 0.111 0.000 0.293 219 S C -1.233 173.486 174.600 0.198 0.000 1.089 219 S CA -1.581 56.697 58.200 0.130 0.000 0.961 219 S CB 1.927 65.159 63.200 0.054 0.000 1.062 219 S HN 0.039 8.405 8.310 0.094 0.000 0.483 220 F N 6.199 126.194 119.950 0.075 0.000 2.411 220 F HA 0.077 4.689 4.527 0.142 0.000 0.355 220 F C -1.667 174.160 175.800 0.046 0.000 1.117 220 F CA 0.337 58.404 58.000 0.113 0.000 1.139 220 F CB 1.449 40.541 39.000 0.152 0.000 1.120 220 F HN -0.034 8.442 8.300 0.294 0.000 0.493 221 D N 3.500 123.663 120.400 -0.395 0.000 2.527 221 D HA -0.003 4.589 4.640 -0.080 0.000 0.224 221 D C -1.144 174.959 176.300 -0.329 0.000 1.217 221 D CA -0.053 53.811 54.000 -0.227 0.000 0.819 221 D CB 0.632 41.357 40.800 -0.124 0.000 1.061 221 D HN 0.275 8.283 8.370 -0.603 0.000 0.515 222 K N 0.197 120.159 120.400 -0.729 0.000 2.338 222 K HA 0.049 4.198 4.320 -0.285 0.000 0.290 222 K C -1.012 175.517 176.600 -0.118 0.000 1.069 222 K CA -0.226 55.795 56.287 -0.444 0.000 0.941 222 K CB -1.045 31.122 32.500 -0.555 0.000 1.023 222 K HN -0.332 7.086 8.250 -1.385 0.000 0.477 223 S N 2.144 117.820 115.700 -0.041 0.000 2.554 223 S HA 0.027 4.659 4.470 0.080 -0.114 0.278 223 S C 0.205 174.831 174.600 0.042 0.000 1.242 223 S CA -1.235 56.985 58.200 0.034 0.000 1.051 223 S CB 1.528 64.737 63.200 0.016 0.000 0.986 223 S HN 0.010 8.282 8.310 -0.064 0.000 0.502 224 N N 6.381 125.119 118.700 0.064 0.000 2.173 224 N HA -0.108 4.663 4.740 0.052 0.000 0.184 224 N C -0.068 175.461 175.510 0.031 0.000 1.025 224 N CA 1.415 54.496 53.050 0.051 0.000 0.852 224 N CB 0.792 39.313 38.487 0.057 0.000 0.998 224 N HN 0.231 9.067 8.380 0.078 -0.410 0.427 225 D N -5.260 115.157 120.400 0.028 0.000 2.996 225 D HA 0.155 4.804 4.640 0.015 0.000 0.343 225 D C 0.453 176.762 176.300 0.016 0.000 1.574 225 D CA -0.539 53.472 54.000 0.019 0.000 0.773 225 D CB -0.131 40.680 40.800 0.018 0.000 1.241 225 D HN -0.466 8.180 8.370 0.033 -0.257 0.469 226 G N 0.319 109.129 108.800 0.016 0.000 2.278 226 G HA2 -0.374 3.591 3.960 0.008 0.000 0.210 226 G HA3 -0.374 3.593 3.960 0.011 0.000 0.210 226 G C -0.525 174.385 174.900 0.017 0.000 1.000 226 G CA 0.162 45.269 45.100 0.012 0.000 0.635 226 G HN -0.048 8.253 8.290 0.017 0.000 0.495 227 E N 2.719 122.934 120.200 0.025 0.000 2.408 227 E HA -0.050 4.315 4.350 0.024 0.000 0.259 227 E C -1.350 175.273 176.600 0.038 0.000 1.110 227 E CA 0.114 56.531 56.400 0.030 0.000 0.929 227 E CB 0.364 30.085 29.700 0.034 0.000 0.971 227 E HN -0.395 7.982 8.360 0.027 0.000 0.438 228 T N 3.311 117.888 114.554 0.039 0.000 2.749 228 T HA 0.325 4.703 4.350 0.047 0.000 0.287 228 T C -1.767 172.975 174.700 0.069 0.000 0.970 228 T CA -2.683 59.445 62.100 0.047 0.000 0.980 228 T CB 0.434 69.323 68.868 0.035 0.000 0.924 228 T HN 0.014 8.274 8.240 0.034 0.000 0.456 229 P HA 0.023 4.523 4.420 0.132 0.000 0.268 229 P C -1.833 175.523 177.300 0.093 0.000 1.205 229 P CA -0.054 63.138 63.100 0.153 0.000 0.771 229 P CB 0.649 32.557 31.700 0.347 0.000 0.858 230 E N 2.153 122.383 120.200 0.050 0.000 2.246 230 E HA 0.042 4.409 4.350 0.028 0.000 0.266 230 E C 0.215 176.806 176.600 -0.016 0.000 0.880 230 E CA -0.691 55.721 56.400 0.020 0.000 0.762 230 E CB 1.354 31.062 29.700 0.013 0.000 1.180 230 E HN 0.107 8.490 8.360 0.038 0.000 0.416 231 G N 3.193 111.976 108.800 -0.028 0.000 2.221 231 G HA2 -0.387 3.535 3.960 -0.063 0.000 0.265 231 G HA3 -0.387 3.537 3.960 -0.060 0.000 0.265 231 G C -1.326 173.497 174.900 -0.127 0.000 1.041 231 G CA 0.523 45.584 45.100 -0.066 0.000 0.807 231 G HN 0.565 8.846 8.290 -0.014 0.000 0.502 232 I N 0.019 120.502 120.570 -0.145 0.000 2.411 232 I HA 0.046 3.996 4.170 -0.366 0.000 0.284 232 I C -1.886 173.997 176.117 -0.389 0.000 1.012 232 I CA -0.637 60.480 61.300 -0.305 0.000 1.119 232 I CB 0.967 38.778 38.000 -0.314 0.000 1.261 232 I HN -0.489 7.646 8.210 -0.083 0.024 0.448 233 G N 4.911 113.354 108.800 -0.595 0.000 2.642 233 G HA2 0.853 4.655 3.960 -0.424 0.000 0.293 233 G HA3 0.853 4.636 3.960 -0.295 0.000 0.293 233 G C -2.589 171.810 174.900 -0.834 0.000 1.341 233 G CA -1.111 43.666 45.100 -0.538 0.000 0.916 233 G HN 0.114 8.051 8.290 -0.588 0.000 0.474 234 F N -2.242 117.647 119.950 -0.101 0.000 2.578 234 F HA 0.917 5.586 4.527 -0.092 -0.197 0.311 234 F C -2.092 173.707 175.800 -0.002 0.000 1.094 234 F CA -1.780 56.126 58.000 -0.156 0.000 0.923 234 F CB 4.986 43.633 39.000 -0.588 0.000 1.230 234 F HN 0.194 8.466 8.300 -0.046 0.000 0.450 235 A N -0.028 123.000 122.820 0.346 0.000 2.475 235 A HA 0.789 5.419 4.320 0.281 -0.141 0.301 235 A C -2.069 175.752 177.584 0.396 0.000 1.059 235 A CA -1.998 50.224 52.037 0.308 0.000 0.710 235 A CB 4.011 23.113 19.000 0.172 0.000 1.288 235 A HN 0.836 9.229 8.150 0.406 0.000 0.408 236 I N 1.375 122.110 120.570 0.275 0.000 2.452 236 I HA 0.259 4.467 4.170 0.063 0.000 0.287 236 I C -1.394 174.776 176.117 0.087 0.000 1.079 236 I CA -3.707 57.667 61.300 0.123 0.000 1.387 236 I CB -0.543 37.494 38.000 0.061 0.000 1.404 236 I HN 0.048 8.405 8.210 0.245 0.000 0.522 237 P HA 0.053 4.647 4.420 0.075 -0.128 0.266 237 P C 1.221 178.509 177.300 -0.019 0.000 1.195 237 P CA -0.201 62.901 63.100 0.003 0.000 0.768 237 P CB 0.156 31.797 31.700 -0.099 0.000 0.838 238 F N 2.166 122.111 119.950 -0.008 0.000 2.216 238 F HA -0.352 4.170 4.527 -0.007 0.000 0.300 238 F C 1.250 177.037 175.800 -0.021 0.000 1.085 238 F CA 3.545 61.537 58.000 -0.012 0.000 1.326 238 F CB -0.884 38.109 39.000 -0.011 0.000 1.027 238 F HN -0.155 8.304 8.300 0.264 0.000 0.497 239 Q N 0.122 119.408 119.800 -0.857 0.000 2.050 239 Q HA -0.383 3.672 4.340 -0.475 0.000 0.202 239 Q C 2.159 178.012 176.000 -0.245 0.000 0.980 239 Q CA 3.333 58.789 55.803 -0.578 0.000 0.840 239 Q CB -1.193 27.171 28.738 -0.625 0.000 0.898 239 Q HN 0.139 7.681 8.270 -1.212 0.000 0.424 240 L N -1.084 120.012 121.223 -0.212 0.000 2.046 240 L HA -0.294 3.969 4.340 -0.128 0.000 0.208 240 L C 1.221 178.041 176.870 -0.082 0.000 1.077 240 L CA 2.580 57.340 54.840 -0.134 0.000 0.747 240 L CB -0.656 41.321 42.059 -0.137 0.000 0.896 240 L HN -0.656 7.425 8.230 -0.247 0.000 0.432 241 A N -1.907 120.884 122.820 -0.049 0.000 1.908 241 A HA -0.390 3.921 4.320 -0.014 0.000 0.218 241 A C 1.957 179.540 177.584 -0.000 0.000 1.181 241 A CA 3.228 55.263 52.037 -0.004 0.000 0.627 241 A CB -0.893 18.134 19.000 0.045 0.000 0.818 241 A HN -0.316 7.804 8.150 -0.051 0.000 0.445 242 T N 0.561 115.122 114.554 0.012 0.000 2.652 242 T HA -0.485 3.878 4.350 0.021 0.000 0.267 242 T C 1.997 176.681 174.700 -0.027 0.000 1.039 242 T CA 5.309 67.416 62.100 0.012 0.000 1.153 242 T CB -0.133 68.762 68.868 0.044 0.000 0.863 242 T HN -0.177 8.073 8.240 0.017 0.000 0.428 243 K N 1.136 121.509 120.400 -0.046 0.000 2.032 243 K HA -0.321 3.968 4.320 -0.052 0.000 0.209 243 K C 2.555 179.121 176.600 -0.056 0.000 1.048 243 K CA 3.536 59.789 56.287 -0.056 0.000 0.927 243 K CB -0.159 32.300 32.500 -0.067 0.000 0.712 243 K HN -0.696 7.520 8.250 -0.056 0.000 0.441 244 I N -1.348 119.190 120.570 -0.054 0.000 2.394 244 I HA -0.364 3.774 4.170 -0.053 0.000 0.251 244 I C 1.988 178.074 176.117 -0.051 0.000 1.136 244 I CA 1.918 63.187 61.300 -0.051 0.000 1.425 244 I CB -1.069 36.902 38.000 -0.048 0.000 1.079 244 I HN -0.138 8.039 8.210 -0.054 0.000 0.425 245 M N 1.381 120.951 119.600 -0.050 0.000 2.077 245 M HA -0.501 3.946 4.480 -0.055 0.000 0.261 245 M C 1.413 177.648 176.300 -0.108 0.000 1.070 245 M CA 4.560 59.821 55.300 -0.065 0.000 1.125 245 M CB -0.187 32.382 32.600 -0.052 0.000 1.339 245 M HN -0.402 7.851 8.290 -0.042 0.012 0.409 246 D N -0.940 119.399 120.400 -0.102 0.000 2.158 246 D HA -0.348 4.197 4.640 -0.160 0.000 0.197 246 D C 2.545 178.782 176.300 -0.104 0.000 0.995 246 D CA 3.504 57.433 54.000 -0.118 0.000 0.846 246 D CB -0.644 40.105 40.800 -0.084 0.000 0.941 246 D HN -0.300 8.021 8.370 -0.081 0.000 0.456 247 K N -1.149 119.204 120.400 -0.078 0.000 2.167 247 K HA -0.141 4.142 4.320 -0.061 0.000 0.203 247 K C 2.367 178.931 176.600 -0.061 0.000 1.052 247 K CA 2.944 59.193 56.287 -0.063 0.000 0.956 247 K CB 0.115 32.583 32.500 -0.052 0.000 0.735 247 K HN -0.760 7.432 8.250 -0.072 0.015 0.451 248 L N -0.801 120.384 121.223 -0.064 0.000 2.156 248 L HA -0.301 4.016 4.340 -0.038 0.000 0.208 248 L C 1.883 178.718 176.870 -0.058 0.000 1.095 248 L CA 2.551 57.362 54.840 -0.049 0.000 0.770 248 L CB -0.191 41.846 42.059 -0.037 0.000 0.914 248 L HN -0.638 7.465 8.230 -0.068 0.086 0.439 249 I N -2.614 117.887 120.570 -0.116 0.000 2.179 249 I HA -0.455 3.642 4.170 -0.122 0.000 0.242 249 I C 1.228 177.290 176.117 -0.090 0.000 1.088 249 I CA 3.198 64.398 61.300 -0.167 0.000 1.357 249 I CB -0.000 37.761 38.000 -0.399 0.000 1.051 249 I HN -0.161 7.966 8.210 -0.139 0.000 0.409 250 R N -3.376 117.074 120.500 -0.083 0.000 2.112 250 R HA -0.142 4.173 4.340 -0.042 0.000 0.216 250 R C 0.808 177.090 176.300 -0.030 0.000 1.080 250 R CA 1.699 57.769 56.100 -0.050 0.000 0.996 250 R CB 0.372 30.640 30.300 -0.053 0.000 0.902 250 R HN -0.794 7.421 8.270 -0.092 0.000 0.449 251 D N -1.890 118.491 120.400 -0.032 0.000 2.527 251 D HA 0.104 4.733 4.640 -0.018 0.000 0.249 251 D C 0.683 176.974 176.300 -0.015 0.000 1.029 251 D CA 0.593 54.579 54.000 -0.022 0.000 0.951 251 D CB 1.336 42.121 40.800 -0.026 0.000 1.093 251 D HN -0.428 7.918 8.370 -0.040 0.000 0.464 252 G N 0.000 108.790 108.800 -0.017 0.000 5.446 252 G HA2 0.000 nan 3.960 nan 0.000 0.244 252 G HA3 0.000 3.957 3.960 -0.005 0.000 0.244 252 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 252 G HN 0.000 8.276 8.290 -0.024 0.000 0.925