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 3eom_1_C DATA FIRST_RESID 3 DATA SEQUENCE AATFHWDDPL LLDQQLADDE RMVRDAAHAY AQGKLAPRVT EAFRHETTDA DATA SEQUENCE AIFREMGEIG LLGPTIPEQY GGPGLDYVSY GLIAREVERV DSGYRSMMSV DATA SEQUENCE QSSLVMVPIF EFGSDAQKEK YLPKLATGEW IGCFGLTEXX XXXXXGSMVT DATA SEQUENCE RARKVPGGYS LSGSKMWITN SPIADVFVVW AKLDEDGRDE IRGFILEKGC DATA SEQUENCE KGLSAPAIHG KVGLRASITG EIVLDEAFVP EENILPHVKG LRGPFTCLNS DATA SEQUENCE ARYGIAWGAL GAAESCWHIA RQYVLDRKQF GRPLAANQLI QKKLADMQTE DATA SEQUENCE ITLGLQGVLR LGRMKDEGTA AVEITSIMKR NSCGKALDIA RLARDMLGGN DATA SEQUENCE GISDEFGVAR HLVNLEVVNT YEXXXDIHAL ILGRAQTGIQ A 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.610 177.584 0.043 0.000 1.274 3 A CA 0.000 52.055 52.037 0.030 0.000 0.836 3 A CB 0.000 19.015 19.000 0.025 0.000 0.831 4 A N 1.506 124.358 122.820 0.054 0.000 2.328 4 A HA 0.594 4.915 4.320 0.001 0.000 0.284 4 A C 0.590 178.235 177.584 0.103 0.000 1.160 4 A CA 0.657 52.742 52.037 0.080 0.000 0.818 4 A CB -0.225 18.825 19.000 0.084 0.000 1.087 4 A HN 1.364 nan 8.150 nan 0.000 0.504 5 T N 0.225 114.851 114.554 0.119 0.000 2.909 5 T HA 0.551 4.902 4.350 0.001 0.000 0.286 5 T C -0.336 174.488 174.700 0.207 0.000 1.002 5 T CA -0.434 61.729 62.100 0.105 0.000 1.074 5 T CB 0.596 69.460 68.868 -0.007 0.000 0.984 5 T HN 0.458 nan 8.240 nan 0.000 0.495 6 F N 2.242 122.195 119.950 0.005 0.000 2.404 6 F HA 0.406 4.933 4.527 0.001 0.000 0.345 6 F C -0.115 175.663 175.800 -0.036 0.000 1.110 6 F CA -0.861 57.179 58.000 0.066 0.000 1.130 6 F CB 0.699 39.747 39.000 0.080 0.000 1.129 6 F HN 0.733 nan 8.300 nan 0.000 0.500 7 H N 7.102 125.841 119.070 -0.551 0.000 2.683 7 H HA 0.071 4.628 4.556 0.001 0.000 0.270 7 H C 0.557 175.291 175.328 -0.989 0.000 1.201 7 H CA -0.874 54.800 56.048 -0.624 0.000 1.277 7 H CB 0.153 29.683 29.762 -0.386 0.000 1.400 7 H HN 0.764 nan 8.280 nan 0.000 0.504 8 W N 3.617 124.409 121.300 -0.847 0.000 2.341 8 W HA -0.173 4.488 4.660 0.002 0.000 0.283 8 W C 0.097 176.539 176.519 -0.129 0.000 1.215 8 W CA 1.357 58.371 57.345 -0.552 0.000 1.211 8 W CB -0.094 29.273 29.460 -0.155 0.000 1.131 8 W HN 0.538 nan 8.180 nan 0.000 0.552 9 D N -0.304 119.505 120.400 -0.985 0.000 2.350 9 D HA -0.053 4.587 4.640 0.001 0.000 0.213 9 D C -0.216 175.925 176.300 -0.264 0.000 1.031 9 D CA 0.324 53.773 54.000 -0.919 0.000 0.861 9 D CB -0.370 39.495 40.800 -1.558 0.000 0.926 9 D HN 0.080 nan 8.370 nan 0.000 0.520 10 D N -0.147 120.130 120.400 -0.205 0.000 3.449 10 D HA 0.158 4.799 4.640 0.001 0.000 0.262 10 D C -2.122 174.128 176.300 -0.083 0.000 1.343 10 D CA -1.330 52.612 54.000 -0.096 0.000 0.787 10 D CB 1.205 41.910 40.800 -0.158 0.000 1.412 10 D HN -0.211 nan 8.370 nan 0.000 0.652 11 P HA -0.083 nan 4.420 nan 0.000 0.216 11 P C 1.425 178.798 177.300 0.122 0.000 1.153 11 P CA 0.919 64.080 63.100 0.101 0.000 0.858 11 P CB 0.310 32.189 31.700 0.299 0.000 0.789 12 L N -1.403 119.860 121.223 0.065 0.000 2.612 12 L HA 0.137 4.478 4.340 0.001 0.000 0.230 12 L C 0.454 177.317 176.870 -0.010 0.000 1.140 12 L CA -0.107 54.757 54.840 0.039 0.000 0.896 12 L CB -0.641 41.436 42.059 0.030 0.000 1.065 12 L HN -0.070 nan 8.230 nan 0.000 0.447 13 L N 0.029 121.213 121.223 -0.065 0.000 3.677 13 L HA -0.263 4.077 4.340 0.001 0.000 0.464 13 L C 1.511 178.337 176.870 -0.073 0.000 1.278 13 L CA -0.225 54.537 54.840 -0.130 0.000 0.806 13 L CB -1.199 40.772 42.059 -0.147 0.000 1.610 13 L HN 0.309 nan 8.230 nan 0.000 0.867 14 L N 0.379 121.575 121.223 -0.044 0.000 2.081 14 L HA -0.200 4.141 4.340 0.001 0.000 0.212 14 L C 1.926 178.793 176.870 -0.006 0.000 1.080 14 L CA 2.694 57.533 54.840 -0.003 0.000 0.754 14 L CB -0.258 41.815 42.059 0.024 0.000 0.893 14 L HN 0.505 nan 8.230 nan 0.000 0.433 15 D N -0.980 119.393 120.400 -0.044 0.000 2.158 15 D HA -0.270 4.370 4.640 0.001 0.000 0.197 15 D C 2.060 178.333 176.300 -0.045 0.000 0.995 15 D CA 1.621 55.591 54.000 -0.051 0.000 0.846 15 D CB -0.068 40.675 40.800 -0.094 0.000 0.941 15 D HN 0.607 nan 8.370 nan 0.000 0.456 16 Q N -0.910 118.855 119.800 -0.058 0.000 2.432 16 Q HA 0.029 4.370 4.340 0.001 0.000 0.205 16 Q C 1.675 177.666 176.000 -0.015 0.000 0.945 16 Q CA 0.303 56.081 55.803 -0.042 0.000 0.924 16 Q CB 0.237 28.941 28.738 -0.057 0.000 1.016 16 Q HN 0.462 nan 8.270 nan 0.000 0.503 17 Q N -0.138 119.661 119.800 -0.002 0.000 2.403 17 Q HA 0.116 4.457 4.340 0.001 0.000 0.203 17 Q C -0.074 175.947 176.000 0.035 0.000 0.932 17 Q CA 0.085 55.901 55.803 0.020 0.000 0.945 17 Q CB 0.463 29.220 28.738 0.032 0.000 1.045 17 Q HN 0.278 nan 8.270 nan 0.000 0.511 18 L N 0.019 121.258 121.223 0.026 0.000 2.399 18 L HA 0.496 4.837 4.340 0.001 0.000 0.265 18 L C 0.051 176.928 176.870 0.011 0.000 1.089 18 L CA -1.050 53.806 54.840 0.028 0.000 0.802 18 L CB 0.799 42.871 42.059 0.023 0.000 1.180 18 L HN -0.060 nan 8.230 nan 0.000 0.454 19 A N 0.354 123.179 122.820 0.009 0.000 2.354 19 A HA 0.102 4.423 4.320 0.001 0.000 0.269 19 A C 0.687 178.267 177.584 -0.008 0.000 1.109 19 A CA -0.327 51.709 52.037 -0.000 0.000 0.800 19 A CB 0.396 19.395 19.000 -0.001 0.000 1.045 19 A HN 0.926 nan 8.150 nan 0.000 0.489 20 D N 1.144 121.537 120.400 -0.011 0.000 2.203 20 D HA -0.227 4.413 4.640 0.001 0.000 0.199 20 D C 1.311 177.601 176.300 -0.018 0.000 0.997 20 D CA 2.097 56.088 54.000 -0.015 0.000 0.863 20 D CB 0.141 40.932 40.800 -0.015 0.000 0.928 20 D HN 0.704 nan 8.370 nan 0.000 0.458 21 D N 0.296 120.685 120.400 -0.018 0.000 2.108 21 D HA -0.210 4.430 4.640 0.001 0.000 0.190 21 D C 1.724 178.009 176.300 -0.026 0.000 0.995 21 D CA 1.448 55.435 54.000 -0.023 0.000 0.834 21 D CB -0.206 40.581 40.800 -0.023 0.000 0.967 21 D HN 0.390 nan 8.370 nan 0.000 0.446 22 E N -0.522 119.664 120.200 -0.024 0.000 2.204 22 E HA -0.099 4.252 4.350 0.001 0.000 0.194 22 E C 2.456 179.039 176.600 -0.028 0.000 0.989 22 E CA 0.429 56.810 56.400 -0.031 0.000 0.824 22 E CB 0.042 29.727 29.700 -0.024 0.000 0.756 22 E HN 0.267 nan 8.360 nan 0.000 0.477 23 R N 0.163 120.651 120.500 -0.021 0.000 2.081 23 R HA -0.047 4.294 4.340 0.001 0.000 0.235 23 R C 2.298 178.585 176.300 -0.022 0.000 1.131 23 R CA 1.278 57.364 56.100 -0.023 0.000 0.960 23 R CB -0.156 30.129 30.300 -0.025 0.000 0.856 23 R HN 0.224 nan 8.270 nan 0.000 0.436 24 M N -0.035 119.553 119.600 -0.020 0.000 2.200 24 M HA -0.123 4.358 4.480 0.001 0.000 0.265 24 M C 2.240 178.532 176.300 -0.012 0.000 1.066 24 M CA 1.188 56.478 55.300 -0.016 0.000 1.127 24 M CB 0.044 32.633 32.600 -0.018 0.000 1.379 24 M HN -0.015 nan 8.290 nan 0.000 0.420 25 V N 0.259 120.160 119.914 -0.021 0.000 2.295 25 V HA -0.293 3.828 4.120 0.001 0.000 0.246 25 V C 2.396 178.485 176.094 -0.009 0.000 1.049 25 V CA 1.945 64.231 62.300 -0.023 0.000 1.024 25 V CB -0.905 30.894 31.823 -0.040 0.000 0.648 25 V HN 0.492 nan 8.190 nan 0.000 0.447 26 R N 0.127 120.619 120.500 -0.013 0.000 2.083 26 R HA -0.214 4.127 4.340 0.001 0.000 0.237 26 R C 2.046 178.373 176.300 0.045 0.000 1.137 26 R CA 2.264 58.368 56.100 0.006 0.000 0.951 26 R CB -0.487 29.808 30.300 -0.008 0.000 0.851 26 R HN 0.541 nan 8.270 nan 0.000 0.434 27 D N -0.006 120.409 120.400 0.024 0.000 2.178 27 D HA -0.096 4.545 4.640 0.001 0.000 0.202 27 D C 1.730 178.085 176.300 0.092 0.000 0.974 27 D CA 1.223 55.249 54.000 0.043 0.000 0.841 27 D CB -0.020 40.777 40.800 -0.005 0.000 0.953 27 D HN 0.402 nan 8.370 nan 0.000 0.478 28 A N 1.513 124.369 122.820 0.059 0.000 1.858 28 A HA -0.072 4.249 4.320 0.001 0.000 0.216 28 A C 2.382 180.025 177.584 0.099 0.000 1.190 28 A CA 2.135 54.209 52.037 0.061 0.000 0.617 28 A CB -0.710 18.303 19.000 0.021 0.000 0.827 28 A HN 0.231 nan 8.150 nan 0.000 0.443 29 A N -1.018 121.857 122.820 0.093 0.000 1.933 29 A HA -0.199 4.121 4.320 0.001 0.000 0.218 29 A C 1.997 179.671 177.584 0.151 0.000 1.175 29 A CA 2.170 54.284 52.037 0.128 0.000 0.628 29 A CB -0.918 18.134 19.000 0.086 0.000 0.814 29 A HN 0.815 nan 8.150 nan 0.000 0.444 30 H N -0.203 118.895 119.070 0.048 0.000 2.321 30 H HA 0.012 4.569 4.556 0.001 0.000 0.300 30 H C 2.174 177.512 175.328 0.018 0.000 1.087 30 H CA 2.060 58.123 56.048 0.025 0.000 1.319 30 H CB -0.179 29.589 29.762 0.011 0.000 1.379 30 H HN 0.399 nan 8.280 nan 0.000 0.501 31 A N -0.147 122.751 122.820 0.131 0.000 1.898 31 A HA -0.190 4.131 4.320 0.001 0.000 0.216 31 A C 2.339 179.930 177.584 0.012 0.000 1.181 31 A CA 1.503 53.582 52.037 0.070 0.000 0.620 31 A CB -1.386 17.676 19.000 0.104 0.000 0.819 31 A HN 0.736 nan 8.150 nan 0.000 0.442 32 Y N 0.518 120.789 120.300 -0.047 0.000 2.070 32 Y HA -0.152 4.399 4.550 0.001 0.000 0.280 32 Y C 2.653 178.490 175.900 -0.106 0.000 1.148 32 Y CA 1.880 59.938 58.100 -0.069 0.000 1.125 32 Y CB -0.415 38.007 38.460 -0.063 0.000 0.975 32 Y HN 0.312 nan 8.280 nan 0.000 0.492 33 A N 0.256 122.844 122.820 -0.386 0.000 1.877 33 A HA -0.209 4.112 4.320 0.001 0.000 0.216 33 A C 2.043 179.389 177.584 -0.398 0.000 1.186 33 A CA 1.781 53.531 52.037 -0.477 0.000 0.620 33 A CB -0.675 18.206 19.000 -0.198 0.000 0.822 33 A HN 0.586 nan 8.150 nan 0.000 0.443 34 Q N -0.404 119.186 119.800 -0.349 0.000 2.119 34 Q HA -0.072 4.269 4.340 0.001 0.000 0.201 34 Q C 2.155 178.029 176.000 -0.209 0.000 0.972 34 Q CA 1.535 57.169 55.803 -0.281 0.000 0.847 34 Q CB -0.965 27.567 28.738 -0.343 0.000 0.903 34 Q HN 0.640 nan 8.270 nan 0.000 0.433 35 G N 0.695 109.368 108.800 -0.211 0.000 2.424 35 G HA2 -0.197 3.764 3.960 0.001 0.000 0.214 35 G HA3 -0.197 3.764 3.960 0.001 0.000 0.214 35 G C 1.487 176.269 174.900 -0.196 0.000 1.202 35 G CA 0.606 45.615 45.100 -0.151 0.000 0.793 35 G HN 0.244 nan 8.290 nan 0.000 0.534 36 K N -0.374 119.817 120.400 -0.350 0.000 2.168 36 K HA 0.367 4.688 4.320 0.001 0.000 0.201 36 K C 2.417 178.779 176.600 -0.398 0.000 1.049 36 K CA 0.235 56.311 56.287 -0.351 0.000 0.974 36 K CB -0.161 32.130 32.500 -0.348 0.000 0.792 36 K HN 0.230 nan 8.250 nan 0.000 0.463 37 L N -0.272 120.609 121.223 -0.569 0.000 2.168 37 L HA 0.113 4.453 4.340 0.001 0.000 0.203 37 L C 2.297 179.039 176.870 -0.215 0.000 1.078 37 L CA 0.793 55.324 54.840 -0.515 0.000 0.780 37 L CB -0.423 41.216 42.059 -0.701 0.000 0.939 37 L HN 0.109 nan 8.230 nan 0.000 0.451 38 A N 0.948 123.667 122.820 -0.168 0.000 1.908 38 A HA -0.120 4.201 4.320 0.001 0.000 0.218 38 A C -0.034 177.536 177.584 -0.024 0.000 1.181 38 A CA 1.621 53.622 52.037 -0.059 0.000 0.627 38 A CB -1.803 17.150 19.000 -0.078 0.000 0.818 38 A HN 0.282 nan 8.150 nan 0.000 0.445 39 P HA -0.117 nan 4.420 nan 0.000 0.222 39 P C 1.290 178.602 177.300 0.020 0.000 1.147 39 P CA 0.996 64.088 63.100 -0.013 0.000 0.790 39 P CB -0.071 31.613 31.700 -0.027 0.000 0.780 40 R N -0.959 119.559 120.500 0.030 0.000 2.127 40 R HA 0.031 4.372 4.340 0.001 0.000 0.217 40 R C 2.198 178.591 176.300 0.154 0.000 1.074 40 R CA 0.499 56.654 56.100 0.090 0.000 0.991 40 R CB -1.251 29.104 30.300 0.091 0.000 0.895 40 R HN 0.086 nan 8.270 nan 0.000 0.450 41 V N 1.308 121.324 119.914 0.171 0.000 2.332 41 V HA -0.258 3.863 4.120 0.001 0.000 0.248 41 V C 1.778 177.937 176.094 0.108 0.000 1.055 41 V CA 2.348 64.755 62.300 0.179 0.000 1.038 41 V CB -0.304 31.607 31.823 0.146 0.000 0.651 41 V HN 0.375 nan 8.190 nan 0.000 0.450 42 T N -0.427 114.171 114.554 0.074 0.000 2.746 42 T HA -0.207 4.144 4.350 0.001 0.000 0.267 42 T C 1.714 176.478 174.700 0.106 0.000 1.039 42 T CA 1.888 64.031 62.100 0.071 0.000 1.142 42 T CB -0.273 68.623 68.868 0.046 0.000 0.866 42 T HN 0.625 nan 8.240 nan 0.000 0.444 43 E N 0.963 121.236 120.200 0.121 0.000 2.031 43 E HA -0.096 4.254 4.350 0.001 0.000 0.193 43 E C 2.630 179.338 176.600 0.180 0.000 0.994 43 E CA 1.068 57.571 56.400 0.172 0.000 0.800 43 E CB -0.257 29.546 29.700 0.170 0.000 0.752 43 E HN 0.470 nan 8.360 nan 0.000 0.447 44 A N 0.636 123.558 122.820 0.171 0.000 1.940 44 A HA -0.198 4.122 4.320 0.001 0.000 0.219 44 A C 1.938 179.586 177.584 0.107 0.000 1.176 44 A CA 1.180 53.312 52.037 0.159 0.000 0.631 44 A CB -0.620 18.504 19.000 0.206 0.000 0.814 44 A HN 0.325 nan 8.150 nan 0.000 0.446 45 F N 0.074 120.000 119.950 -0.041 0.000 2.074 45 F HA -0.026 4.502 4.527 0.001 0.000 0.293 45 F C 2.357 178.102 175.800 -0.091 0.000 1.116 45 F CA 1.775 59.725 58.000 -0.084 0.000 1.212 45 F CB -0.315 38.615 39.000 -0.117 0.000 0.998 45 F HN 0.170 nan 8.300 nan 0.000 0.471 46 R N -0.841 119.647 120.500 -0.021 0.000 2.117 46 R HA -0.211 4.129 4.340 0.001 0.000 0.243 46 R C 1.146 177.171 176.300 -0.459 0.000 1.143 46 R CA 2.307 58.241 56.100 -0.277 0.000 0.968 46 R CB -0.479 29.601 30.300 -0.366 0.000 0.863 46 R HN 0.501 nan 8.270 nan 0.000 0.444 47 H N -1.374 117.680 119.070 -0.026 0.000 2.672 47 H HA 0.197 4.754 4.556 0.001 0.000 0.277 47 H C -0.517 174.798 175.328 -0.021 0.000 1.074 47 H CA 0.060 56.098 56.048 -0.018 0.000 1.173 47 H CB 0.705 30.476 29.762 0.014 0.000 1.558 47 H HN 0.239 nan 8.280 nan 0.000 0.539 48 E N 2.207 122.404 120.200 -0.005 0.000 2.228 48 E HA -0.184 4.167 4.350 0.001 0.000 0.213 48 E C -0.325 176.324 176.600 0.082 0.000 1.282 48 E CA 0.411 56.805 56.400 -0.009 0.000 0.707 48 E CB -0.621 29.072 29.700 -0.012 0.000 1.150 48 E HN 0.569 nan 8.360 nan 0.000 0.362 49 T N -1.646 112.971 114.554 0.105 0.000 2.899 49 T HA 0.295 4.645 4.350 0.001 0.000 0.295 49 T C 0.401 175.174 174.700 0.121 0.000 1.033 49 T CA -0.360 61.813 62.100 0.122 0.000 1.084 49 T CB 1.680 70.627 68.868 0.131 0.000 0.979 49 T HN 0.069 nan 8.240 nan 0.000 0.532 50 T N 3.265 117.891 114.554 0.120 0.000 2.747 50 T HA 0.326 4.676 4.350 0.001 0.000 0.301 50 T C -0.631 174.151 174.700 0.138 0.000 0.952 50 T CA -0.310 61.865 62.100 0.125 0.000 0.983 50 T CB 0.140 69.075 68.868 0.112 0.000 0.930 50 T HN 0.725 nan 8.240 nan 0.000 0.494 51 D N 2.054 122.556 120.400 0.171 0.000 2.481 51 D HA 0.571 5.211 4.640 0.001 0.000 0.246 51 D C 0.243 176.679 176.300 0.226 0.000 1.109 51 D CA -0.786 53.322 54.000 0.179 0.000 0.845 51 D CB 1.319 42.232 40.800 0.188 0.000 1.160 51 D HN 0.431 nan 8.370 nan 0.000 0.534 52 A N 2.863 125.813 122.820 0.217 0.000 2.259 52 A HA 0.424 4.745 4.320 0.001 0.000 0.213 52 A C 1.720 179.500 177.584 0.326 0.000 1.209 52 A CA 0.684 52.910 52.037 0.315 0.000 0.910 52 A CB 0.144 19.265 19.000 0.202 0.000 0.946 52 A HN 0.538 nan 8.150 nan 0.000 0.497 53 A N 0.361 123.297 122.820 0.195 0.000 2.172 53 A HA 0.045 4.366 4.320 0.001 0.000 0.216 53 A C 1.754 179.414 177.584 0.128 0.000 1.154 53 A CA 1.039 53.166 52.037 0.149 0.000 0.701 53 A CB -0.742 18.318 19.000 0.100 0.000 0.789 53 A HN 0.499 nan 8.150 nan 0.000 0.465 54 I N -1.654 118.976 120.570 0.100 0.000 2.335 54 I HA -0.278 3.893 4.170 0.001 0.000 0.251 54 I C 2.059 178.115 176.117 -0.102 0.000 1.129 54 I CA 1.334 62.620 61.300 -0.023 0.000 1.402 54 I CB -0.434 37.471 38.000 -0.159 0.000 1.069 54 I HN 0.340 nan 8.210 nan 0.000 0.424 55 F N 0.599 120.573 119.950 0.039 0.000 2.146 55 F HA -0.121 4.407 4.527 0.001 0.000 0.298 55 F C 2.659 178.451 175.800 -0.013 0.000 1.096 55 F CA 1.106 59.118 58.000 0.021 0.000 1.275 55 F CB -0.430 38.599 39.000 0.047 0.000 1.008 55 F HN -0.127 nan 8.300 nan 0.000 0.480 56 R N 0.748 121.350 120.500 0.170 0.000 2.073 56 R HA -0.132 4.208 4.340 0.001 0.000 0.234 56 R C 2.039 178.328 176.300 -0.018 0.000 1.134 56 R CA 1.380 57.520 56.100 0.068 0.000 0.952 56 R CB -0.989 29.351 30.300 0.067 0.000 0.850 56 R HN 0.391 nan 8.270 nan 0.000 0.433 57 E N 0.370 120.548 120.200 -0.038 0.000 2.086 57 E HA -0.194 4.157 4.350 0.001 0.000 0.200 57 E C 2.050 178.421 176.600 -0.382 0.000 1.012 57 E CA 1.818 58.132 56.400 -0.144 0.000 0.812 57 E CB -0.106 29.581 29.700 -0.021 0.000 0.743 57 E HN 0.287 nan 8.360 nan 0.000 0.453 58 M N -0.520 118.840 119.600 -0.400 0.000 2.349 58 M HA 0.018 4.498 4.480 0.001 0.000 0.266 58 M C 2.401 178.566 176.300 -0.226 0.000 1.076 58 M CA 1.066 56.103 55.300 -0.438 0.000 1.126 58 M CB -0.073 32.325 32.600 -0.335 0.000 1.392 58 M HN 0.164 nan 8.290 nan 0.000 0.440 59 G N 0.686 109.413 108.800 -0.122 0.000 2.402 59 G HA2 -0.179 3.781 3.960 0.001 0.000 0.216 59 G HA3 -0.179 3.781 3.960 0.001 0.000 0.216 59 G C 1.329 176.180 174.900 -0.082 0.000 1.162 59 G CA 0.605 45.665 45.100 -0.066 0.000 0.777 59 G HN 0.461 nan 8.290 nan 0.000 0.539 60 E N 0.297 120.443 120.200 -0.091 0.000 2.070 60 E HA -0.154 4.196 4.350 0.001 0.000 0.197 60 E C 2.312 178.857 176.600 -0.091 0.000 1.004 60 E CA 1.283 57.635 56.400 -0.080 0.000 0.805 60 E CB -0.249 29.406 29.700 -0.075 0.000 0.744 60 E HN 0.728 nan 8.360 nan 0.000 0.451 61 I N -3.080 117.411 120.570 -0.133 0.000 3.810 61 I HA 0.316 4.487 4.170 0.001 0.000 0.322 61 I C 0.862 176.912 176.117 -0.111 0.000 1.288 61 I CA 0.364 61.591 61.300 -0.121 0.000 1.143 61 I CB -0.220 37.689 38.000 -0.151 0.000 1.012 61 I HN 0.097 nan 8.210 nan 0.000 0.423 62 G N 2.543 111.279 108.800 -0.106 0.000 2.272 62 G HA2 -0.245 3.715 3.960 0.001 0.000 0.280 62 G HA3 -0.245 3.715 3.960 0.001 0.000 0.280 62 G C 0.326 175.167 174.900 -0.097 0.000 1.067 62 G CA 0.434 45.479 45.100 -0.091 0.000 0.902 62 G HN 0.530 nan 8.290 nan 0.000 0.500 63 L N -1.096 120.059 121.223 -0.112 0.000 2.640 63 L HA 0.367 4.708 4.340 0.001 0.000 0.230 63 L C 1.240 178.060 176.870 -0.085 0.000 1.123 63 L CA -0.053 54.728 54.840 -0.098 0.000 0.900 63 L CB 0.149 42.139 42.059 -0.115 0.000 1.146 63 L HN 0.214 nan 8.230 nan 0.000 0.484 64 L N 0.859 122.035 121.223 -0.080 0.000 2.276 64 L HA 0.417 4.758 4.340 0.001 0.000 0.286 64 L C 0.877 177.693 176.870 -0.090 0.000 1.061 64 L CA -0.246 54.562 54.840 -0.053 0.000 0.807 64 L CB 1.081 43.143 42.059 0.005 0.000 1.177 64 L HN 0.248 nan 8.230 nan 0.000 0.429 65 G N 4.343 113.062 108.800 -0.136 0.000 2.351 65 G HA2 -0.180 3.781 3.960 0.001 0.000 0.297 65 G HA3 -0.180 3.781 3.960 0.001 0.000 0.297 65 G C -1.744 172.998 174.900 -0.264 0.000 1.054 65 G CA -0.530 44.445 45.100 -0.209 0.000 1.123 65 G HN 0.578 nan 8.290 nan 0.000 0.512 66 P HA -0.140 nan 4.420 nan 0.000 0.217 66 P C 2.073 179.199 177.300 -0.290 0.000 1.148 66 P CA 2.224 65.168 63.100 -0.259 0.000 0.828 66 P CB -0.015 31.545 31.700 -0.232 0.000 0.783 67 T N -4.541 109.785 114.554 -0.380 0.000 3.129 67 T HA 0.106 4.457 4.350 0.001 0.000 0.251 67 T C 0.842 175.279 174.700 -0.438 0.000 1.117 67 T CA -0.070 61.778 62.100 -0.420 0.000 1.034 67 T CB -0.541 68.012 68.868 -0.525 0.000 0.968 67 T HN -0.145 nan 8.240 nan 0.000 0.526 68 I N 3.188 123.507 120.570 -0.418 0.000 2.496 68 I HA 0.318 4.489 4.170 0.001 0.000 0.285 68 I C -2.386 173.518 176.117 -0.355 0.000 1.080 68 I CA -3.078 57.907 61.300 -0.524 0.000 1.404 68 I CB 0.187 37.966 38.000 -0.368 0.000 1.403 68 I HN -0.022 nan 8.210 nan 0.000 0.539 69 P HA 0.028 nan 4.420 nan 0.000 0.269 69 P C 0.757 178.002 177.300 -0.092 0.000 1.217 69 P CA -0.050 62.956 63.100 -0.157 0.000 0.783 69 P CB 0.801 32.468 31.700 -0.056 0.000 0.898 70 E N 0.837 120.982 120.200 -0.092 0.000 2.265 70 E HA -0.252 4.099 4.350 0.001 0.000 0.196 70 E C 1.745 178.284 176.600 -0.101 0.000 0.996 70 E CA 0.791 57.140 56.400 -0.084 0.000 0.832 70 E CB -0.183 29.469 29.700 -0.080 0.000 0.756 70 E HN 0.410 nan 8.360 nan 0.000 0.491 71 Q N -0.700 119.009 119.800 -0.151 0.000 2.173 71 Q HA -0.212 4.129 4.340 0.001 0.000 0.208 71 Q C 0.323 176.073 176.000 -0.416 0.000 0.989 71 Q CA 1.442 57.054 55.803 -0.318 0.000 0.872 71 Q CB 0.066 28.538 28.738 -0.443 0.000 0.909 71 Q HN 0.453 nan 8.270 nan 0.000 0.420 72 Y N -1.809 118.487 120.300 -0.006 0.000 2.716 72 Y HA 0.324 4.875 4.550 0.001 0.000 0.260 72 Y C 1.017 176.900 175.900 -0.029 0.000 1.141 72 Y CA 0.233 58.336 58.100 0.006 0.000 1.168 72 Y CB 1.069 39.566 38.460 0.060 0.000 1.189 72 Y HN 0.196 nan 8.280 nan 0.000 0.549 73 G N -0.417 108.409 108.800 0.043 0.000 2.176 73 G HA2 -0.257 3.704 3.960 0.001 0.000 0.253 73 G HA3 -0.257 3.704 3.960 0.001 0.000 0.253 73 G C 0.830 175.714 174.900 -0.027 0.000 0.979 73 G CA -0.097 45.002 45.100 -0.001 0.000 0.641 73 G HN 0.773 nan 8.290 nan 0.000 0.530 74 G N 0.191 108.970 108.800 -0.036 0.000 2.667 74 G HA2 0.523 4.483 3.960 0.001 0.000 0.250 74 G HA3 0.523 4.483 3.960 0.001 0.000 0.250 74 G C -0.637 174.204 174.900 -0.099 0.000 1.212 74 G CA -0.094 44.951 45.100 -0.091 0.000 0.874 74 G HN 0.189 nan 8.290 nan 0.000 0.561 75 P HA 0.116 nan 4.420 nan 0.000 0.257 75 P C 1.094 178.323 177.300 -0.118 0.000 1.281 75 P CA 0.619 63.655 63.100 -0.106 0.000 0.826 75 P CB 0.450 32.089 31.700 -0.103 0.000 1.237 76 G N 0.415 109.127 108.800 -0.146 0.000 2.233 76 G HA2 -0.281 3.680 3.960 0.001 0.000 0.270 76 G HA3 -0.281 3.680 3.960 0.001 0.000 0.270 76 G C 0.091 174.897 174.900 -0.157 0.000 1.011 76 G CA 0.212 45.220 45.100 -0.153 0.000 0.762 76 G HN 0.309 nan 8.290 nan 0.000 0.511 77 L N -0.071 121.050 121.223 -0.170 0.000 2.479 77 L HA 0.559 4.900 4.340 0.001 0.000 0.249 77 L C 1.001 177.744 176.870 -0.212 0.000 1.178 77 L CA -0.644 54.102 54.840 -0.156 0.000 0.811 77 L CB 0.255 42.237 42.059 -0.128 0.000 1.187 77 L HN 0.353 nan 8.230 nan 0.000 0.480 78 D N -1.998 118.297 120.400 -0.175 0.000 2.506 78 D HA 0.070 4.711 4.640 0.001 0.000 0.272 78 D C 0.624 176.809 176.300 -0.192 0.000 1.214 78 D CA -0.187 53.678 54.000 -0.225 0.000 1.067 78 D CB 0.289 41.025 40.800 -0.106 0.000 1.117 78 D HN 0.347 nan 8.370 nan 0.000 0.578 79 Y N -0.606 119.679 120.300 -0.024 0.000 2.200 79 Y HA -0.094 4.456 4.550 0.001 0.000 0.290 79 Y C 2.486 178.446 175.900 0.100 0.000 1.137 79 Y CA 0.780 58.877 58.100 -0.004 0.000 1.163 79 Y CB -0.740 37.553 38.460 -0.280 0.000 0.988 79 Y HN 0.162 nan 8.280 nan 0.000 0.518 80 V N -0.868 119.160 119.914 0.191 0.000 2.380 80 V HA -0.334 3.787 4.120 0.001 0.000 0.251 80 V C 2.209 178.181 176.094 -0.204 0.000 1.063 80 V CA 2.270 64.596 62.300 0.042 0.000 1.055 80 V CB -0.862 31.019 31.823 0.096 0.000 0.657 80 V HN 0.369 nan 8.190 nan 0.000 0.455 81 S N -1.958 113.688 115.700 -0.089 0.000 2.387 81 S HA -0.136 4.335 4.470 0.001 0.000 0.226 81 S C 1.733 176.291 174.600 -0.070 0.000 1.026 81 S CA 1.200 59.335 58.200 -0.108 0.000 0.972 81 S CB -0.423 62.736 63.200 -0.069 0.000 0.814 81 S HN 0.705 nan 8.310 nan 0.000 0.477 82 Y N 2.307 122.522 120.300 -0.141 0.000 2.040 82 Y HA -0.290 4.261 4.550 0.001 0.000 0.275 82 Y C 2.622 178.375 175.900 -0.244 0.000 1.171 82 Y CA 1.160 59.211 58.100 -0.082 0.000 1.123 82 Y CB -0.810 37.725 38.460 0.125 0.000 0.963 82 Y HN 0.353 nan 8.280 nan 0.000 0.493 83 G N 0.583 109.031 108.800 -0.587 0.000 2.476 83 G HA2 -0.311 3.650 3.960 0.001 0.000 0.218 83 G HA3 -0.311 3.650 3.960 0.001 0.000 0.218 83 G C 1.575 175.920 174.900 -0.925 0.000 1.164 83 G CA 1.426 45.661 45.100 -1.441 0.000 0.768 83 G HN 0.459 nan 8.290 nan 0.000 0.560 84 L N -0.023 120.676 121.223 -0.874 0.000 2.079 84 L HA -0.092 4.249 4.340 0.001 0.000 0.210 84 L C 2.868 179.661 176.870 -0.128 0.000 1.081 84 L CA 0.775 55.389 54.840 -0.376 0.000 0.752 84 L CB -0.360 41.534 42.059 -0.275 0.000 0.896 84 L HN 0.232 nan 8.230 nan 0.000 0.433 85 I N -0.384 120.127 120.570 -0.098 0.000 2.163 85 I HA -0.264 3.907 4.170 0.001 0.000 0.240 85 I C 2.821 178.954 176.117 0.026 0.000 1.081 85 I CA 1.183 62.486 61.300 0.005 0.000 1.353 85 I CB -0.492 37.538 38.000 0.051 0.000 1.054 85 I HN 0.179 nan 8.210 nan 0.000 0.407 86 A N 0.890 123.705 122.820 -0.008 0.000 1.883 86 A HA -0.290 4.030 4.320 0.001 0.000 0.217 86 A C 2.429 180.031 177.584 0.031 0.000 1.186 86 A CA 2.171 54.206 52.037 -0.005 0.000 0.624 86 A CB -0.788 18.131 19.000 -0.134 0.000 0.822 86 A HN 0.407 nan 8.150 nan 0.000 0.444 87 R N -0.586 119.948 120.500 0.056 0.000 2.091 87 R HA -0.176 4.165 4.340 0.001 0.000 0.238 87 R C 1.831 178.180 176.300 0.082 0.000 1.136 87 R CA 1.794 57.961 56.100 0.110 0.000 0.959 87 R CB -0.217 30.219 30.300 0.226 0.000 0.856 87 R HN 0.462 nan 8.270 nan 0.000 0.437 88 E N 0.077 120.323 120.200 0.077 0.000 2.107 88 E HA -0.101 4.249 4.350 0.001 0.000 0.191 88 E C 2.096 178.734 176.600 0.063 0.000 0.982 88 E CA 1.146 57.596 56.400 0.083 0.000 0.809 88 E CB -0.085 29.675 29.700 0.101 0.000 0.756 88 E HN 0.249 nan 8.360 nan 0.000 0.459 89 V N 1.088 121.048 119.914 0.077 0.000 2.358 89 V HA -0.206 3.915 4.120 0.001 0.000 0.246 89 V C 2.393 178.553 176.094 0.110 0.000 1.047 89 V CA 1.872 64.229 62.300 0.094 0.000 1.035 89 V CB -0.429 31.464 31.823 0.117 0.000 0.658 89 V HN 0.223 nan 8.190 nan 0.000 0.452 90 E N 0.263 120.517 120.200 0.089 0.000 2.204 90 E HA -0.227 4.124 4.350 0.001 0.000 0.194 90 E C 2.388 179.051 176.600 0.104 0.000 0.989 90 E CA 0.783 57.236 56.400 0.088 0.000 0.824 90 E CB -0.125 29.608 29.700 0.054 0.000 0.756 90 E HN 0.428 nan 8.360 nan 0.000 0.477 91 R N -0.111 120.430 120.500 0.069 0.000 2.133 91 R HA -0.189 4.152 4.340 0.001 0.000 0.247 91 R C 1.894 178.272 176.300 0.130 0.000 1.151 91 R CA 1.679 57.807 56.100 0.047 0.000 0.971 91 R CB -0.067 30.248 30.300 0.025 0.000 0.866 91 R HN 0.132 nan 8.270 nan 0.000 0.447 92 V N -0.479 119.507 119.914 0.120 0.000 2.300 92 V HA -0.010 4.110 4.120 0.001 0.000 0.241 92 V C 0.787 176.958 176.094 0.128 0.000 1.034 92 V CA 1.490 63.867 62.300 0.129 0.000 1.021 92 V CB -0.094 31.785 31.823 0.094 0.000 0.662 92 V HN 0.401 nan 8.190 nan 0.000 0.458 93 D N -2.073 118.407 120.400 0.133 0.000 2.836 93 D HA 0.141 4.782 4.640 0.001 0.000 0.215 93 D C 0.373 176.669 176.300 -0.006 0.000 1.255 93 D CA 0.047 54.024 54.000 -0.038 0.000 0.822 93 D CB 2.189 42.820 40.800 -0.282 0.000 1.656 93 D HN 0.006 nan 8.370 nan 0.000 0.511 94 S N 1.388 117.078 115.700 -0.018 0.000 2.399 94 S HA -0.066 4.405 4.470 0.001 0.000 0.231 94 S C 1.858 176.440 174.600 -0.030 0.000 1.022 94 S CA 1.257 59.456 58.200 -0.002 0.000 0.983 94 S CB -0.045 63.155 63.200 0.000 0.000 0.803 94 S HN 0.665 nan 8.310 nan 0.000 0.480 95 G N 0.535 109.277 108.800 -0.097 0.000 2.446 95 G HA2 -0.223 3.738 3.960 0.001 0.000 0.217 95 G HA3 -0.223 3.738 3.960 0.001 0.000 0.217 95 G C 1.124 175.992 174.900 -0.054 0.000 1.168 95 G CA 0.776 45.809 45.100 -0.113 0.000 0.771 95 G HN 0.588 nan 8.290 nan 0.000 0.551 96 Y N 0.067 120.378 120.300 0.019 0.000 2.181 96 Y HA -0.070 4.480 4.550 0.001 0.000 0.288 96 Y C 3.070 178.964 175.900 -0.010 0.000 1.146 96 Y CA 0.975 59.071 58.100 -0.007 0.000 1.164 96 Y CB -0.122 38.330 38.460 -0.012 0.000 0.982 96 Y HN 0.013 nan 8.280 nan 0.000 0.515 97 R N 0.607 121.198 120.500 0.152 0.000 2.081 97 R HA -0.170 4.170 4.340 0.001 0.000 0.235 97 R C 2.430 178.776 176.300 0.077 0.000 1.131 97 R CA 1.567 57.727 56.100 0.099 0.000 0.960 97 R CB -0.760 29.582 30.300 0.071 0.000 0.856 97 R HN 0.256 nan 8.270 nan 0.000 0.436 98 S N 0.453 116.185 115.700 0.054 0.000 2.359 98 S HA -0.178 4.292 4.470 0.001 0.000 0.223 98 S C 2.157 176.810 174.600 0.089 0.000 1.039 98 S CA 1.913 60.138 58.200 0.042 0.000 1.042 98 S CB -0.141 63.058 63.200 -0.003 0.000 0.915 98 S HN 0.358 nan 8.310 nan 0.000 0.439 99 M N 0.656 120.320 119.600 0.106 0.000 2.089 99 M HA -0.185 4.295 4.480 0.001 0.000 0.257 99 M C 2.457 178.837 176.300 0.134 0.000 1.071 99 M CA 2.109 57.503 55.300 0.156 0.000 1.096 99 M CB -0.456 32.187 32.600 0.071 0.000 1.330 99 M HN 0.451 nan 8.290 nan 0.000 0.403 100 M N -0.671 118.947 119.600 0.031 0.000 2.229 100 M HA -0.146 4.335 4.480 0.001 0.000 0.264 100 M C 1.974 178.359 176.300 0.142 0.000 1.063 100 M CA 1.615 56.943 55.300 0.047 0.000 1.114 100 M CB -0.222 32.392 32.600 0.025 0.000 1.387 100 M HN 0.158 nan 8.290 nan 0.000 0.420 101 S N 0.240 116.031 115.700 0.152 0.000 2.402 101 S HA -0.088 4.382 4.470 0.001 0.000 0.229 101 S C 1.829 176.521 174.600 0.153 0.000 1.021 101 S CA 1.220 59.529 58.200 0.181 0.000 0.974 101 S CB -0.218 63.058 63.200 0.127 0.000 0.800 101 S HN 0.435 nan 8.310 nan 0.000 0.484 102 V N 1.208 121.212 119.914 0.151 0.000 2.270 102 V HA -0.177 3.944 4.120 0.001 0.000 0.245 102 V C 2.495 178.680 176.094 0.151 0.000 1.043 102 V CA 1.934 64.320 62.300 0.145 0.000 1.014 102 V CB -0.751 31.183 31.823 0.185 0.000 0.645 102 V HN 0.372 nan 8.190 nan 0.000 0.447 103 Q N 0.502 120.424 119.800 0.202 0.000 2.062 103 Q HA -0.213 4.128 4.340 0.001 0.000 0.209 103 Q C 2.347 178.411 176.000 0.108 0.000 0.996 103 Q CA 2.806 58.721 55.803 0.187 0.000 0.859 103 Q CB -0.410 28.498 28.738 0.283 0.000 0.920 103 Q HN 0.646 nan 8.270 nan 0.000 0.415 104 S N -1.008 114.736 115.700 0.073 0.000 2.348 104 S HA -0.014 4.457 4.470 0.001 0.000 0.219 104 S C 2.060 176.654 174.600 -0.011 0.000 1.033 104 S CA 1.076 59.256 58.200 -0.033 0.000 0.974 104 S CB -0.215 62.886 63.200 -0.165 0.000 0.868 104 S HN 0.289 nan 8.310 nan 0.000 0.459 105 S N 0.654 116.397 115.700 0.072 0.000 2.456 105 S HA 0.319 4.789 4.470 0.001 0.000 0.224 105 S C 1.339 175.964 174.600 0.041 0.000 1.035 105 S CA 0.327 58.588 58.200 0.101 0.000 0.940 105 S CB 0.029 63.348 63.200 0.199 0.000 0.799 105 S HN 0.305 nan 8.310 nan 0.000 0.508 106 L N 0.464 121.682 121.223 -0.008 0.000 2.693 106 L HA 0.327 4.668 4.340 0.001 0.000 0.235 106 L C 0.785 177.776 176.870 0.201 0.000 1.127 106 L CA -0.001 54.751 54.840 -0.147 0.000 0.914 106 L CB 0.502 42.237 42.059 -0.540 0.000 1.193 106 L HN 0.137 nan 8.230 nan 0.000 0.502 107 V N -1.685 118.336 119.914 0.177 0.000 3.442 107 V HA 0.052 4.173 4.120 0.001 0.000 0.205 107 V C 1.880 178.060 176.094 0.143 0.000 1.320 107 V CA 0.244 62.654 62.300 0.183 0.000 1.306 107 V CB 0.327 32.228 31.823 0.129 0.000 1.267 107 V HN 0.129 nan 8.190 nan 0.000 0.538 108 M N 0.128 119.792 119.600 0.107 0.000 2.175 108 M HA -0.119 4.361 4.480 0.001 0.000 0.264 108 M C 2.145 178.510 176.300 0.108 0.000 1.063 108 M CA 1.600 56.952 55.300 0.086 0.000 1.119 108 M CB -0.331 32.286 32.600 0.029 0.000 1.377 108 M HN 0.258 nan 8.290 nan 0.000 0.415 109 V N 1.189 121.166 119.914 0.104 0.000 2.261 109 V HA -0.174 3.947 4.120 0.001 0.000 0.246 109 V C -0.512 175.661 176.094 0.133 0.000 1.047 109 V CA 2.144 64.520 62.300 0.126 0.000 1.015 109 V CB -1.975 29.913 31.823 0.108 0.000 0.642 109 V HN 0.288 nan 8.190 nan 0.000 0.446 110 P HA -0.149 nan 4.420 nan 0.000 0.216 110 P C 1.864 179.291 177.300 0.212 0.000 1.153 110 P CA 1.655 64.963 63.100 0.346 0.000 0.848 110 P CB -0.029 32.084 31.700 0.689 0.000 0.787 111 I N -1.026 119.644 120.570 0.167 0.000 2.091 111 I HA -0.286 3.885 4.170 0.001 0.000 0.239 111 I C 2.555 178.704 176.117 0.054 0.000 1.061 111 I CA 1.744 63.108 61.300 0.106 0.000 1.317 111 I CB -0.852 37.211 38.000 0.105 0.000 1.031 111 I HN -0.156 nan 8.210 nan 0.000 0.401 112 F N 1.456 121.352 119.950 -0.090 0.000 2.216 112 F HA -0.235 4.293 4.527 0.001 0.000 0.300 112 F C 2.313 178.018 175.800 -0.159 0.000 1.085 112 F CA 1.927 59.831 58.000 -0.160 0.000 1.326 112 F CB -0.085 38.834 39.000 -0.135 0.000 1.027 112 F HN 0.005 nan 8.300 nan 0.000 0.497 113 E N -1.207 118.786 120.200 -0.345 0.000 2.166 113 E HA 0.041 4.392 4.350 0.001 0.000 0.192 113 E C 1.408 177.724 176.600 -0.473 0.000 0.967 113 E CA 0.962 56.994 56.400 -0.613 0.000 0.840 113 E CB -0.114 29.080 29.700 -0.843 0.000 0.795 113 E HN 0.370 nan 8.360 nan 0.000 0.470 114 F N -0.848 119.131 119.950 0.049 0.000 2.706 114 F HA 0.403 4.931 4.527 0.001 0.000 0.308 114 F C 1.124 176.979 175.800 0.091 0.000 1.095 114 F CA 0.001 58.064 58.000 0.105 0.000 1.244 114 F CB 0.087 39.166 39.000 0.131 0.000 1.063 114 F HN -0.099 nan 8.300 nan 0.000 0.582 115 G N 0.269 109.170 108.800 0.168 0.000 2.504 115 G HA2 0.397 4.358 3.960 0.001 0.000 0.288 115 G HA3 0.397 4.358 3.960 0.001 0.000 0.288 115 G C -0.068 174.907 174.900 0.125 0.000 1.182 115 G CA -0.313 44.846 45.100 0.099 0.000 0.894 115 G HN 0.185 nan 8.290 nan 0.000 0.521 116 S N -0.054 115.688 115.700 0.069 0.000 2.603 116 S HA 0.140 4.610 4.470 0.001 0.000 0.268 116 S C 0.734 175.381 174.600 0.077 0.000 1.317 116 S CA -0.092 58.166 58.200 0.095 0.000 1.012 116 S CB 1.401 64.627 63.200 0.043 0.000 0.926 116 S HN 0.476 nan 8.310 nan 0.000 0.539 117 D N 2.026 122.482 120.400 0.094 0.000 2.157 117 D HA -0.152 4.489 4.640 0.001 0.000 0.191 117 D C 2.199 178.555 176.300 0.094 0.000 1.004 117 D CA 2.289 56.351 54.000 0.103 0.000 0.854 117 D CB -0.776 40.091 40.800 0.112 0.000 0.936 117 D HN 0.749 nan 8.370 nan 0.000 0.446 118 A N 0.264 123.127 122.820 0.072 0.000 1.902 118 A HA -0.258 4.062 4.320 0.001 0.000 0.217 118 A C 2.122 179.724 177.584 0.031 0.000 1.181 118 A CA 1.757 53.824 52.037 0.049 0.000 0.623 118 A CB -0.672 18.350 19.000 0.038 0.000 0.818 118 A HN 0.255 nan 8.150 nan 0.000 0.443 119 Q N -0.395 119.444 119.800 0.065 0.000 2.084 119 Q HA -0.182 4.159 4.340 0.001 0.000 0.202 119 Q C 2.113 178.196 176.000 0.138 0.000 0.978 119 Q CA 1.828 57.718 55.803 0.145 0.000 0.844 119 Q CB -0.185 28.675 28.738 0.203 0.000 0.898 119 Q HN 0.643 nan 8.270 nan 0.000 0.426 120 K N 0.534 120.952 120.400 0.030 0.000 2.063 120 K HA -0.180 4.141 4.320 0.001 0.000 0.208 120 K C 1.920 178.506 176.600 -0.022 0.000 1.048 120 K CA 1.544 57.748 56.287 -0.139 0.000 0.928 120 K CB -0.025 32.181 32.500 -0.491 0.000 0.713 120 K HN 0.382 nan 8.250 nan 0.000 0.442 121 E N 0.771 121.039 120.200 0.113 0.000 2.371 121 E HA -0.128 4.222 4.350 0.001 0.000 0.194 121 E C 1.777 178.396 176.600 0.032 0.000 1.012 121 E CA 0.602 57.101 56.400 0.165 0.000 0.860 121 E CB 0.056 29.862 29.700 0.177 0.000 0.811 121 E HN 0.201 nan 8.360 nan 0.000 0.502 122 K N 0.234 120.593 120.400 -0.068 0.000 2.031 122 K HA -0.103 4.217 4.320 0.001 0.000 0.205 122 K C 1.311 177.814 176.600 -0.162 0.000 1.049 122 K CA 1.186 57.333 56.287 -0.234 0.000 0.939 122 K CB 0.050 32.228 32.500 -0.538 0.000 0.717 122 K HN 0.084 nan 8.250 nan 0.000 0.438 123 Y N 0.278 120.696 120.300 0.196 0.000 2.464 123 Y HA 0.106 4.657 4.550 0.001 0.000 0.288 123 Y C 1.953 177.954 175.900 0.169 0.000 1.133 123 Y CA 0.162 58.433 58.100 0.286 0.000 1.223 123 Y CB -0.232 38.372 38.460 0.239 0.000 1.187 123 Y HN -0.103 nan 8.280 nan 0.000 0.539 124 L N 0.301 121.669 121.223 0.241 0.000 2.012 124 L HA -0.158 4.182 4.340 0.001 0.000 0.210 124 L C -0.598 176.333 176.870 0.101 0.000 1.073 124 L CA 1.449 56.379 54.840 0.150 0.000 0.748 124 L CB -1.680 40.432 42.059 0.088 0.000 0.891 124 L HN 0.175 nan 8.230 nan 0.000 0.431 125 P HA -0.132 nan 4.420 nan 0.000 0.221 125 P C 1.250 178.502 177.300 -0.081 0.000 1.150 125 P CA 1.216 64.317 63.100 0.002 0.000 0.800 125 P CB 0.039 31.731 31.700 -0.012 0.000 0.787 126 K N -0.840 119.467 120.400 -0.156 0.000 2.186 126 K HA 0.093 4.414 4.320 0.001 0.000 0.202 126 K C 1.970 178.530 176.600 -0.067 0.000 1.052 126 K CA 0.757 56.854 56.287 -0.317 0.000 0.965 126 K CB -0.479 31.431 32.500 -0.984 0.000 0.746 126 K HN 0.202 nan 8.250 nan 0.000 0.457 127 L N 0.783 122.063 121.223 0.095 0.000 2.056 127 L HA -0.123 4.217 4.340 0.001 0.000 0.207 127 L C 2.569 179.492 176.870 0.087 0.000 1.078 127 L CA 1.081 56.012 54.840 0.152 0.000 0.749 127 L CB -0.529 41.639 42.059 0.182 0.000 0.901 127 L HN 0.127 nan 8.230 nan 0.000 0.433 128 A N 0.026 122.871 122.820 0.043 0.000 1.933 128 A HA -0.213 4.108 4.320 0.001 0.000 0.218 128 A C 2.364 179.947 177.584 -0.002 0.000 1.175 128 A CA 2.259 54.302 52.037 0.010 0.000 0.628 128 A CB -0.934 18.063 19.000 -0.005 0.000 0.814 128 A HN 0.518 nan 8.150 nan 0.000 0.444 129 T N -4.549 109.998 114.554 -0.013 0.000 3.081 129 T HA 0.382 4.732 4.350 0.001 0.000 0.255 129 T C 1.474 176.186 174.700 0.019 0.000 1.113 129 T CA 1.103 63.191 62.100 -0.020 0.000 1.082 129 T CB 0.054 68.891 68.868 -0.050 0.000 0.939 129 T HN 1.698 nan 8.240 nan 0.000 0.506 130 G N 1.434 110.274 108.800 0.068 0.000 2.179 130 G HA2 -0.335 3.626 3.960 0.001 0.000 0.260 130 G HA3 -0.335 3.626 3.960 0.001 0.000 0.260 130 G C 0.562 175.530 174.900 0.113 0.000 0.977 130 G CA 0.620 45.810 45.100 0.150 0.000 0.641 130 G HN 0.609 nan 8.290 nan 0.000 0.533 131 E N -1.282 118.937 120.200 0.031 0.000 2.085 131 E HA -0.083 4.268 4.350 0.001 0.000 0.194 131 E C 0.396 177.097 176.600 0.169 0.000 0.994 131 E CA 0.974 57.371 56.400 -0.005 0.000 0.801 131 E CB 0.038 29.614 29.700 -0.206 0.000 0.743 131 E HN 0.481 nan 8.360 nan 0.000 0.453 132 W N 0.668 121.967 121.300 -0.003 0.000 2.475 132 W HA 0.440 5.101 4.660 0.001 0.000 0.317 132 W C -0.702 175.738 176.519 -0.131 0.000 1.046 132 W CA -1.282 56.038 57.345 -0.042 0.000 1.215 132 W CB 0.539 30.010 29.460 0.017 0.000 1.335 132 W HN -0.068 nan 8.180 nan 0.000 0.471 133 I N 3.527 124.056 120.570 -0.068 0.000 2.325 133 I HA 0.435 4.606 4.170 0.001 0.000 0.291 133 I C 1.082 177.018 176.117 -0.303 0.000 1.019 133 I CA -0.161 60.890 61.300 -0.416 0.000 1.302 133 I CB 0.542 38.108 38.000 -0.723 0.000 1.401 133 I HN 0.396 nan 8.210 nan 0.000 0.485 134 G N 4.777 113.451 108.800 -0.209 0.000 2.461 134 G HA2 0.642 4.603 3.960 0.001 0.000 0.329 134 G HA3 0.642 4.603 3.960 0.001 0.000 0.329 134 G C -0.748 174.052 174.900 -0.167 0.000 1.170 134 G CA -0.449 44.549 45.100 -0.170 0.000 0.935 134 G HN 0.894 nan 8.290 nan 0.000 0.492 135 C N -1.385 117.810 119.300 -0.174 0.000 3.332 135 C HA 0.861 5.321 4.460 0.001 0.000 0.329 135 C C -1.294 173.800 174.990 0.174 0.000 1.434 135 C CA -1.510 57.496 59.018 -0.020 0.000 1.314 135 C CB 0.958 28.616 27.740 -0.135 0.000 1.664 135 C HN 0.806 nan 8.230 nan 0.000 0.457 136 F N 1.215 121.234 119.950 0.115 0.000 2.612 136 F HA 0.640 5.168 4.527 0.001 0.000 0.332 136 F C 0.220 176.190 175.800 0.284 0.000 1.167 136 F CA -0.009 58.132 58.000 0.235 0.000 0.970 136 F CB 1.310 40.477 39.000 0.279 0.000 1.234 136 F HN 1.117 nan 8.300 nan 0.000 0.453 137 G N 6.283 115.024 108.800 -0.098 0.000 2.571 137 G HA2 0.425 4.386 3.960 0.001 0.000 0.327 137 G HA3 0.425 4.386 3.960 0.001 0.000 0.327 137 G C -0.413 174.441 174.900 -0.077 0.000 1.008 137 G CA -0.213 44.870 45.100 -0.027 0.000 1.136 137 G HN 0.728 nan 8.290 nan 0.000 0.444 138 L N 2.576 123.745 121.223 -0.089 0.000 2.663 138 L HA 0.364 4.704 4.340 0.001 0.000 0.218 138 L C 1.536 178.438 176.870 0.053 0.000 1.043 138 L CA 1.048 55.857 54.840 -0.051 0.000 0.876 138 L CB 0.321 42.303 42.059 -0.128 0.000 1.263 138 L HN 0.457 nan 8.230 nan 0.000 0.486 139 T N -1.160 113.460 114.554 0.109 0.000 2.922 139 T HA 0.610 4.961 4.350 0.001 0.000 0.285 139 T C -0.128 174.636 174.700 0.106 0.000 1.005 139 T CA -0.532 61.633 62.100 0.108 0.000 1.061 139 T CB 1.625 70.570 68.868 0.129 0.000 1.007 139 T HN 0.331 nan 8.240 nan 0.000 0.502 149 S N 0.935 116.627 115.700 -0.013 0.000 2.809 149 S HA 0.455 4.925 4.470 0.001 0.000 0.248 149 S C 0.794 175.396 174.600 0.003 0.000 1.071 149 S CA -0.150 58.048 58.200 -0.004 0.000 1.059 149 S CB -0.628 62.571 63.200 -0.001 0.000 0.923 149 S HN 0.707 nan 8.310 nan 0.000 0.516 150 M N -0.184 119.418 119.600 0.004 0.000 2.240 150 M HA 0.469 4.950 4.480 0.001 0.000 0.333 150 M C 0.263 176.570 176.300 0.013 0.000 1.110 150 M CA -0.379 54.929 55.300 0.014 0.000 1.173 150 M CB 0.767 33.381 32.600 0.023 0.000 1.458 150 M HN -0.057 nan 8.290 nan 0.000 0.458 151 V N 0.248 120.169 119.914 0.012 0.000 3.431 151 V HA 0.031 4.151 4.120 0.001 0.000 0.253 151 V C 0.947 177.042 176.094 0.001 0.000 1.184 151 V CA 0.594 62.898 62.300 0.006 0.000 1.104 151 V CB 0.271 32.096 31.823 0.005 0.000 0.799 151 V HN 1.016 nan 8.190 nan 0.000 0.462 152 T N 2.530 117.085 114.554 0.003 0.000 2.928 152 T HA 0.321 4.671 4.350 0.001 0.000 0.305 152 T C 0.036 174.729 174.700 -0.012 0.000 1.035 152 T CA 0.498 62.592 62.100 -0.011 0.000 1.145 152 T CB 0.591 69.453 68.868 -0.009 0.000 0.963 152 T HN 0.355 nan 8.240 nan 0.000 0.545 153 R N 1.528 122.005 120.500 -0.039 0.000 2.628 153 R HA 0.662 5.002 4.340 0.001 0.000 0.288 153 R C -1.432 174.816 176.300 -0.087 0.000 0.980 153 R CA -0.562 55.518 56.100 -0.034 0.000 0.891 153 R CB 1.272 31.561 30.300 -0.017 0.000 1.188 153 R HN 0.670 nan 8.270 nan 0.000 0.450 154 A N 4.091 126.863 122.820 -0.079 0.000 2.288 154 A HA 0.695 5.016 4.320 0.001 0.000 0.320 154 A C -0.761 176.836 177.584 0.023 0.000 1.217 154 A CA -0.717 51.241 52.037 -0.131 0.000 0.840 154 A CB 0.699 19.543 19.000 -0.261 0.000 1.179 154 A HN 0.733 nan 8.150 nan 0.000 0.504 155 R N 1.336 121.857 120.500 0.036 0.000 2.460 155 R HA 0.388 4.729 4.340 0.001 0.000 0.303 155 R C -0.550 175.817 176.300 0.112 0.000 0.968 155 R CA -0.643 55.499 56.100 0.071 0.000 0.889 155 R CB 1.349 31.665 30.300 0.027 0.000 1.123 155 R HN 0.679 nan 8.270 nan 0.000 0.455 156 K N 1.991 122.450 120.400 0.099 0.000 2.436 156 K HA 0.101 4.421 4.320 0.001 0.000 0.282 156 K C -0.395 176.177 176.600 -0.048 0.000 1.044 156 K CA 0.112 56.393 56.287 -0.011 0.000 1.028 156 K CB 0.339 32.844 32.500 0.009 0.000 0.919 156 K HN 0.441 nan 8.250 nan 0.000 0.474 157 V N 1.408 121.260 119.914 -0.104 0.000 3.167 157 V HA 0.677 4.798 4.120 0.001 0.000 0.310 157 V C -2.632 173.431 176.094 -0.051 0.000 1.207 157 V CA -2.709 59.568 62.300 -0.039 0.000 1.059 157 V CB 1.495 33.337 31.823 0.031 0.000 1.079 157 V HN 0.541 nan 8.190 nan 0.000 0.446 158 P HA 0.339 nan 4.420 nan 0.000 0.263 158 P C 0.876 178.203 177.300 0.045 0.000 1.195 158 P CA 1.835 64.925 63.100 -0.017 0.000 0.762 158 P CB 0.458 32.138 31.700 -0.034 0.000 0.799 159 G N 1.848 110.665 108.800 0.027 0.000 2.162 159 G HA2 -0.021 3.940 3.960 0.001 0.000 0.260 159 G HA3 -0.021 3.940 3.960 0.001 0.000 0.260 159 G C 0.518 175.479 174.900 0.102 0.000 0.976 159 G CA 0.357 45.516 45.100 0.098 0.000 0.655 159 G HN 1.019 nan 8.290 nan 0.000 0.533 160 G N -1.596 107.156 108.800 -0.081 0.000 2.591 160 G HA2 0.547 4.507 3.960 0.001 0.000 0.104 160 G HA3 0.547 4.507 3.960 0.001 0.000 0.104 160 G C -1.110 173.372 174.900 -0.696 0.000 1.097 160 G CA 0.051 44.923 45.100 -0.380 0.000 1.076 160 G HN 0.949 nan 8.290 nan 0.000 0.485 161 Y N -0.370 119.863 120.300 -0.111 0.000 2.562 161 Y HA 0.773 5.324 4.550 0.001 0.000 0.345 161 Y C 0.156 175.966 175.900 -0.149 0.000 1.045 161 Y CA -0.618 57.415 58.100 -0.112 0.000 1.028 161 Y CB 2.514 40.875 38.460 -0.165 0.000 1.297 161 Y HN 0.583 nan 8.280 nan 0.000 0.463 162 S N 1.998 117.722 115.700 0.040 0.000 2.473 162 S HA 0.781 5.252 4.470 0.001 0.000 0.307 162 S C -1.583 172.952 174.600 -0.108 0.000 1.094 162 S CA -0.396 57.801 58.200 -0.005 0.000 1.070 162 S CB 0.414 63.639 63.200 0.042 0.000 1.019 162 S HN 0.502 nan 8.310 nan 0.000 0.480 163 L N 3.464 124.588 121.223 -0.165 0.000 2.346 163 L HA 0.659 4.999 4.340 0.001 0.000 0.274 163 L C -0.342 176.445 176.870 -0.138 0.000 1.007 163 L CA -0.004 54.706 54.840 -0.217 0.000 0.818 163 L CB 2.229 44.075 42.059 -0.354 0.000 1.284 163 L HN 0.634 nan 8.230 nan 0.000 0.424 164 S N 0.979 116.612 115.700 -0.113 0.000 2.571 164 S HA 0.947 5.418 4.470 0.001 0.000 0.284 164 S C -0.345 174.217 174.600 -0.064 0.000 1.128 164 S CA -0.386 57.768 58.200 -0.077 0.000 0.970 164 S CB 1.891 65.058 63.200 -0.054 0.000 1.039 164 S HN 1.041 nan 8.310 nan 0.000 0.485 165 G N 1.229 109.995 108.800 -0.057 0.000 2.361 165 G HA2 0.356 4.317 3.960 0.001 0.000 0.305 165 G HA3 0.356 4.317 3.960 0.001 0.000 0.305 165 G C -1.480 173.397 174.900 -0.039 0.000 1.367 165 G CA -0.762 44.314 45.100 -0.040 0.000 0.951 165 G HN 0.628 nan 8.290 nan 0.000 0.615 166 S N 0.118 115.803 115.700 -0.025 0.000 2.482 166 S HA 0.738 5.208 4.470 0.001 0.000 0.303 166 S C -0.461 174.138 174.600 -0.002 0.000 1.091 166 S CA -0.783 57.404 58.200 -0.022 0.000 1.057 166 S CB 1.432 64.616 63.200 -0.026 0.000 1.031 166 S HN 0.515 nan 8.310 nan 0.000 0.485 167 K N 2.401 122.805 120.400 0.007 0.000 2.274 167 K HA 0.490 4.811 4.320 0.001 0.000 0.262 167 K C -0.713 175.908 176.600 0.035 0.000 0.961 167 K CA -0.683 55.629 56.287 0.041 0.000 0.833 167 K CB 1.704 34.242 32.500 0.063 0.000 1.102 167 K HN 0.474 nan 8.250 nan 0.000 0.436 168 M N 1.109 120.743 119.600 0.056 0.000 2.537 168 M HA 0.291 4.772 4.480 0.001 0.000 0.324 168 M C -0.872 175.526 176.300 0.163 0.000 1.187 168 M CA -0.088 55.204 55.300 -0.015 0.000 0.993 168 M CB 0.586 33.166 32.600 -0.035 0.000 1.666 168 M HN 0.619 nan 8.290 nan 0.000 0.461 169 W N 3.372 124.745 121.300 0.121 0.000 5.361 169 W HA -0.183 4.477 4.660 0.001 0.000 0.385 169 W C -0.704 175.937 176.519 0.204 0.000 1.458 169 W CA -0.361 57.087 57.345 0.171 0.000 0.922 169 W CB -1.675 27.933 29.460 0.248 0.000 2.606 169 W HN 0.322 nan 8.180 nan 0.000 1.450 170 I N 1.387 122.132 120.570 0.291 0.000 2.291 170 I HA 0.097 4.267 4.170 0.001 0.000 0.292 170 I C 1.295 177.538 176.117 0.210 0.000 1.064 170 I CA 0.016 61.473 61.300 0.262 0.000 1.269 170 I CB -0.054 38.066 38.000 0.200 0.000 1.418 170 I HN -0.018 nan 8.210 nan 0.000 0.485 171 T N 5.295 119.984 114.554 0.224 0.000 2.930 171 T HA 0.100 4.451 4.350 0.001 0.000 0.306 171 T C 1.068 175.851 174.700 0.138 0.000 1.045 171 T CA 0.299 62.499 62.100 0.167 0.000 1.134 171 T CB 0.327 69.276 68.868 0.136 0.000 0.961 171 T HN 0.685 nan 8.240 nan 0.000 0.545 172 N N 1.015 119.788 118.700 0.121 0.000 2.967 172 N HA -0.246 4.495 4.740 0.001 0.000 0.218 172 N C 1.407 176.899 175.510 -0.029 0.000 0.870 172 N CA 1.910 55.001 53.050 0.068 0.000 1.030 172 N CB -1.997 36.529 38.487 0.065 0.000 1.027 172 N HN 0.851 nan 8.380 nan 0.000 0.603 173 S N 0.159 115.863 115.700 0.007 0.000 2.370 173 S HA -0.022 4.449 4.470 0.001 0.000 0.226 173 S C -0.971 173.656 174.600 0.045 0.000 1.033 173 S CA 1.417 59.617 58.200 -0.000 0.000 1.011 173 S CB -1.062 62.209 63.200 0.120 0.000 0.852 173 S HN 0.241 nan 8.310 nan 0.000 0.457 174 P HA 0.131 nan 4.420 nan 0.000 0.236 174 P C 0.942 178.267 177.300 0.041 0.000 1.172 174 P CA 0.749 63.882 63.100 0.054 0.000 0.759 174 P CB -0.347 31.369 31.700 0.026 0.000 0.843 175 I N -7.583 112.983 120.570 -0.007 0.000 4.541 175 I HA 0.458 4.629 4.170 0.001 0.000 0.337 175 I C 0.449 176.484 176.117 -0.137 0.000 1.338 175 I CA -0.730 60.548 61.300 -0.037 0.000 1.244 175 I CB 0.136 38.125 38.000 -0.019 0.000 1.417 175 I HN -0.322 nan 8.210 nan 0.000 0.501 176 A N 1.438 124.115 122.820 -0.238 0.000 2.425 176 A HA 0.266 4.587 4.320 0.001 0.000 0.242 176 A C 0.446 177.826 177.584 -0.340 0.000 1.077 176 A CA 0.187 51.952 52.037 -0.453 0.000 0.781 176 A CB 0.185 18.645 19.000 -0.899 0.000 1.020 176 A HN 0.412 nan 8.150 nan 0.000 0.494 177 D N -0.283 119.908 120.400 -0.350 0.000 2.423 177 D HA 0.191 4.832 4.640 0.001 0.000 0.208 177 D C -0.397 175.694 176.300 -0.348 0.000 1.068 177 D CA 0.811 54.616 54.000 -0.325 0.000 0.860 177 D CB 0.732 41.232 40.800 -0.500 0.000 0.992 177 D HN 0.199 nan 8.370 nan 0.000 0.504 178 V N 1.203 120.879 119.914 -0.397 0.000 2.686 178 V HA 0.371 4.492 4.120 0.001 0.000 0.306 178 V C -1.139 174.739 176.094 -0.359 0.000 1.065 178 V CA -0.775 61.353 62.300 -0.286 0.000 0.894 178 V CB 2.148 33.804 31.823 -0.278 0.000 1.004 178 V HN -0.125 nan 8.190 nan 0.000 0.424 179 F N 3.028 122.861 119.950 -0.195 0.000 2.460 179 F HA 0.571 5.099 4.527 0.001 0.000 0.341 179 F C 0.000 175.703 175.800 -0.162 0.000 1.130 179 F CA -1.011 56.911 58.000 -0.130 0.000 0.962 179 F CB 2.079 41.009 39.000 -0.117 0.000 1.171 179 F HN 0.183 nan 8.300 nan 0.000 0.436 180 V N 5.198 125.119 119.914 0.010 0.000 2.304 180 V HA 0.302 4.423 4.120 0.001 0.000 0.269 180 V C -0.224 175.713 176.094 -0.261 0.000 1.036 180 V CA -0.573 61.647 62.300 -0.133 0.000 0.840 180 V CB 0.860 32.678 31.823 -0.008 0.000 1.036 180 V HN 0.488 nan 8.190 nan 0.000 0.466 181 V N 4.406 124.129 119.914 -0.318 0.000 2.435 181 V HA 0.466 4.587 4.120 0.001 0.000 0.290 181 V C -0.723 175.153 176.094 -0.364 0.000 1.030 181 V CA -0.768 61.389 62.300 -0.237 0.000 0.881 181 V CB 1.734 33.507 31.823 -0.082 0.000 0.983 181 V HN 0.868 nan 8.190 nan 0.000 0.445 182 W N 3.441 124.700 121.300 -0.067 0.000 2.349 182 W HA 0.770 5.430 4.660 0.001 0.000 0.309 182 W C 0.125 176.655 176.519 0.018 0.000 1.083 182 W CA -0.243 57.081 57.345 -0.035 0.000 1.224 182 W CB 1.527 30.907 29.460 -0.133 0.000 1.256 182 W HN 0.686 nan 8.180 nan 0.000 0.461 183 A N 3.020 126.015 122.820 0.291 0.000 2.498 183 A HA 0.691 5.012 4.320 0.001 0.000 0.298 183 A C -0.952 176.746 177.584 0.189 0.000 1.075 183 A CA -1.207 50.940 52.037 0.184 0.000 0.714 183 A CB 1.311 20.347 19.000 0.060 0.000 1.299 183 A HN 0.561 nan 8.150 nan 0.000 0.407 184 K N 0.374 120.834 120.400 0.099 0.000 2.322 184 K HA 0.419 4.740 4.320 0.001 0.000 0.283 184 K C -1.205 175.442 176.600 0.079 0.000 1.042 184 K CA -0.093 56.237 56.287 0.072 0.000 0.958 184 K CB 0.901 33.422 32.500 0.036 0.000 0.984 184 K HN 0.492 nan 8.250 nan 0.000 0.473 185 L N 3.557 124.829 121.223 0.082 0.000 2.342 185 L HA 0.261 4.601 4.340 0.001 0.000 0.276 185 L C -1.071 175.837 176.870 0.064 0.000 0.997 185 L CA -0.451 54.445 54.840 0.093 0.000 0.838 185 L CB 1.461 43.603 42.059 0.139 0.000 1.224 185 L HN 0.525 nan 8.230 nan 0.000 0.416 186 D N 4.026 124.460 120.400 0.056 0.000 2.348 186 D HA 0.387 5.028 4.640 0.001 0.000 0.253 186 D C -0.798 175.535 176.300 0.055 0.000 1.161 186 D CA 0.247 54.273 54.000 0.043 0.000 0.876 186 D CB 0.739 41.558 40.800 0.031 0.000 1.160 186 D HN 0.688 nan 8.370 nan 0.000 0.459 187 E N 2.097 122.324 120.200 0.045 0.000 2.335 187 E HA 0.327 4.678 4.350 0.001 0.000 0.280 187 E C -0.666 175.953 176.600 0.031 0.000 0.918 187 E CA -0.803 55.626 56.400 0.047 0.000 0.765 187 E CB 1.303 31.043 29.700 0.067 0.000 1.218 187 E HN 0.364 nan 8.360 nan 0.000 0.425 188 D N 1.685 122.101 120.400 0.027 0.000 2.808 188 D HA -0.292 4.349 4.640 0.001 0.000 0.195 188 D C 0.962 177.270 176.300 0.014 0.000 1.057 188 D CA 2.844 56.856 54.000 0.019 0.000 1.026 188 D CB -1.095 39.716 40.800 0.018 0.000 1.115 188 D HN 0.994 nan 8.370 nan 0.000 0.421 189 G N -1.088 107.720 108.800 0.015 0.000 3.134 189 G HA2 -0.190 3.770 3.960 0.001 0.000 0.195 189 G HA3 -0.190 3.770 3.960 0.001 0.000 0.195 189 G C 0.073 174.978 174.900 0.009 0.000 1.054 189 G CA -0.212 44.895 45.100 0.011 0.000 0.828 189 G HN 0.313 nan 8.290 nan 0.000 0.462 190 R N 1.089 121.595 120.500 0.009 0.000 2.390 190 R HA 0.458 4.799 4.340 0.001 0.000 0.291 190 R C -1.175 175.129 176.300 0.008 0.000 1.070 190 R CA -0.128 55.975 56.100 0.005 0.000 1.014 190 R CB 0.934 31.235 30.300 0.001 0.000 1.007 190 R HN 0.146 nan 8.270 nan 0.000 0.466 191 D N 2.283 122.685 120.400 0.003 0.000 2.514 191 D HA 0.080 4.720 4.640 0.001 0.000 0.267 191 D C -0.425 175.873 176.300 -0.004 0.000 1.165 191 D CA -0.130 53.874 54.000 0.006 0.000 0.958 191 D CB 0.395 41.198 40.800 0.006 0.000 0.992 191 D HN 0.239 nan 8.370 nan 0.000 0.506 192 E N 0.808 121.004 120.200 -0.006 0.000 2.322 192 E HA 0.393 4.743 4.350 0.001 0.000 0.257 192 E C 0.146 176.736 176.600 -0.017 0.000 1.155 192 E CA -0.668 55.718 56.400 -0.024 0.000 0.936 192 E CB 1.393 31.072 29.700 -0.036 0.000 1.130 192 E HN 0.380 nan 8.360 nan 0.000 0.465 193 I N 2.004 122.552 120.570 -0.036 0.000 2.321 193 I HA 0.308 4.479 4.170 0.001 0.000 0.291 193 I C 0.335 176.445 176.117 -0.012 0.000 0.998 193 I CA -0.574 60.722 61.300 -0.008 0.000 1.227 193 I CB 0.738 38.715 38.000 -0.039 0.000 1.368 193 I HN -0.036 nan 8.210 nan 0.000 0.466 194 R N 3.889 124.386 120.500 -0.005 0.000 2.803 194 R HA 0.686 5.027 4.340 0.001 0.000 0.276 194 R C -0.275 175.831 176.300 -0.323 0.000 0.978 194 R CA -0.972 54.998 56.100 -0.216 0.000 0.939 194 R CB 2.104 32.146 30.300 -0.430 0.000 1.179 194 R HN 0.788 nan 8.270 nan 0.000 0.472 195 G N 1.013 109.426 108.800 -0.645 0.000 2.388 195 G HA2 0.680 4.641 3.960 0.001 0.000 0.330 195 G HA3 0.680 4.641 3.960 0.001 0.000 0.330 195 G C -1.206 173.014 174.900 -1.132 0.000 1.142 195 G CA -0.283 44.200 45.100 -1.030 0.000 0.908 195 G HN 0.262 nan 8.290 nan 0.000 0.473 196 F N 0.333 119.923 119.950 -0.600 0.000 2.556 196 F HA 0.490 5.017 4.527 0.001 0.000 0.314 196 F C 0.177 175.758 175.800 -0.365 0.000 1.106 196 F CA -0.757 56.997 58.000 -0.410 0.000 0.911 196 F CB 2.270 41.065 39.000 -0.342 0.000 1.190 196 F HN 0.212 nan 8.300 nan 0.000 0.448 197 I N 4.015 124.517 120.570 -0.112 0.000 2.428 197 I HA 0.508 4.678 4.170 0.001 0.000 0.296 197 I C -0.749 175.308 176.117 -0.099 0.000 0.985 197 I CA -0.518 60.679 61.300 -0.171 0.000 1.260 197 I CB 1.179 39.003 38.000 -0.293 0.000 1.389 197 I HN 0.373 nan 8.210 nan 0.000 0.484 198 L N 4.996 126.168 121.223 -0.086 0.000 2.322 198 L HA 0.581 4.921 4.340 0.001 0.000 0.252 198 L C -0.542 176.325 176.870 -0.005 0.000 1.055 198 L CA -0.528 54.274 54.840 -0.063 0.000 0.849 198 L CB 1.787 43.765 42.059 -0.135 0.000 1.446 198 L HN 0.509 nan 8.230 nan 0.000 0.416 199 E N -0.573 119.611 120.200 -0.026 0.000 2.359 199 E HA 0.417 4.768 4.350 0.001 0.000 0.266 199 E C -1.376 175.223 176.600 -0.001 0.000 0.920 199 E CA -1.109 55.279 56.400 -0.019 0.000 0.788 199 E CB 2.165 31.822 29.700 -0.071 0.000 1.279 199 E HN 0.311 nan 8.360 nan 0.000 0.438 200 K N 0.106 120.527 120.400 0.036 0.000 2.382 200 K HA 0.189 4.509 4.320 0.001 0.000 0.275 200 K C 0.560 177.151 176.600 -0.016 0.000 1.009 200 K CA 1.082 57.414 56.287 0.074 0.000 0.970 200 K CB 0.228 32.760 32.500 0.054 0.000 0.934 200 K HN 0.709 nan 8.250 nan 0.000 0.479 201 G N 2.676 111.456 108.800 -0.034 0.000 2.153 201 G HA2 -0.302 3.659 3.960 0.001 0.000 0.252 201 G HA3 -0.302 3.659 3.960 0.001 0.000 0.252 201 G C 0.134 175.004 174.900 -0.049 0.000 0.994 201 G CA 0.269 45.347 45.100 -0.036 0.000 0.698 201 G HN 0.773 nan 8.290 nan 0.000 0.521 202 C N 1.523 120.773 119.300 -0.083 0.000 2.499 202 C HA 0.662 5.123 4.460 0.001 0.000 0.386 202 C C 1.208 176.152 174.990 -0.076 0.000 1.293 202 C CA -0.959 58.019 59.018 -0.068 0.000 1.884 202 C CB -0.463 27.227 27.740 -0.084 0.000 2.509 202 C HN 0.838 nan 8.230 nan 0.000 0.566 203 K N 4.978 125.357 120.400 -0.036 0.000 2.513 203 K HA 0.345 4.665 4.320 0.001 0.000 0.275 203 K C 1.108 177.679 176.600 -0.048 0.000 1.025 203 K CA 0.986 57.254 56.287 -0.033 0.000 1.125 203 K CB -0.716 31.778 32.500 -0.010 0.000 0.843 203 K HN 1.883 nan 8.250 nan 0.000 0.486 204 G N 1.093 109.856 108.800 -0.061 0.000 2.157 204 G HA2 -0.272 3.689 3.960 0.001 0.000 0.248 204 G HA3 -0.272 3.689 3.960 0.001 0.000 0.248 204 G C -0.532 174.300 174.900 -0.112 0.000 0.979 204 G CA 0.173 45.230 45.100 -0.071 0.000 0.650 204 G HN 0.712 nan 8.290 nan 0.000 0.529 205 L N 1.666 122.801 121.223 -0.147 0.000 2.325 205 L HA 0.833 5.174 4.340 0.001 0.000 0.281 205 L C -0.237 176.517 176.870 -0.193 0.000 1.004 205 L CA -0.373 54.330 54.840 -0.228 0.000 0.823 205 L CB 2.041 43.884 42.059 -0.360 0.000 1.236 205 L HN 0.107 nan 8.230 nan 0.000 0.415 206 S N 3.748 119.350 115.700 -0.163 0.000 2.526 206 S HA 0.859 5.330 4.470 0.001 0.000 0.293 206 S C -0.330 174.227 174.600 -0.071 0.000 1.092 206 S CA -0.339 57.802 58.200 -0.099 0.000 0.980 206 S CB 1.913 65.075 63.200 -0.064 0.000 1.048 206 S HN 0.788 nan 8.310 nan 0.000 0.483 207 A N 3.076 125.891 122.820 -0.007 0.000 3.297 207 A HA 0.557 4.877 4.320 0.001 0.000 0.304 207 A C -2.802 174.806 177.584 0.039 0.000 0.963 207 A CA -1.380 50.696 52.037 0.065 0.000 0.935 207 A CB -0.065 19.061 19.000 0.211 0.000 1.093 207 A HN 0.505 nan 8.150 nan 0.000 0.480 208 P HA 0.434 nan 4.420 nan 0.000 0.275 208 P C 0.137 177.412 177.300 -0.041 0.000 1.228 208 P CA 0.112 63.208 63.100 -0.006 0.000 0.786 208 P CB 1.388 33.080 31.700 -0.014 0.000 0.927 209 A N 3.197 125.982 122.820 -0.058 0.000 2.304 209 A HA 0.535 4.856 4.320 0.001 0.000 0.271 209 A C 0.154 177.565 177.584 -0.289 0.000 1.091 209 A CA -0.672 51.249 52.037 -0.194 0.000 0.812 209 A CB -0.090 18.729 19.000 -0.300 0.000 1.056 209 A HN 0.514 nan 8.150 nan 0.000 0.489 210 I N 1.457 121.812 120.570 -0.358 0.000 2.355 210 I HA 0.327 4.498 4.170 0.001 0.000 0.288 210 I C -0.608 175.302 176.117 -0.344 0.000 0.999 210 I CA -0.273 60.846 61.300 -0.302 0.000 1.163 210 I CB 1.171 38.976 38.000 -0.324 0.000 1.316 210 I HN 0.711 nan 8.210 nan 0.000 0.454 211 H N 3.258 122.329 119.070 0.002 0.000 2.567 211 H HA 0.661 5.218 4.556 0.001 0.000 0.345 211 H C 0.692 176.041 175.328 0.035 0.000 1.169 211 H CA -0.468 55.593 56.048 0.021 0.000 1.227 211 H CB 1.631 31.401 29.762 0.012 0.000 1.607 211 H HN 0.789 nan 8.280 nan 0.000 0.534 212 G N 1.165 110.057 108.800 0.153 0.000 2.248 212 G HA2 -0.251 3.709 3.960 0.001 0.000 0.252 212 G HA3 -0.251 3.709 3.960 0.001 0.000 0.252 212 G C -0.365 174.586 174.900 0.085 0.000 1.085 212 G CA -0.479 44.675 45.100 0.092 0.000 0.845 212 G HN 0.499 nan 8.290 nan 0.000 0.494 213 K N -0.526 119.914 120.400 0.067 0.000 2.185 213 K HA 0.495 4.815 4.320 0.001 0.000 0.271 213 K C 1.443 178.038 176.600 -0.008 0.000 1.013 213 K CA -0.454 55.877 56.287 0.073 0.000 0.943 213 K CB 1.926 34.477 32.500 0.086 0.000 0.998 213 K HN 0.001 nan 8.250 nan 0.000 0.468 214 V N 1.310 121.234 119.914 0.017 0.000 2.649 214 V HA -0.024 4.097 4.120 0.001 0.000 0.248 214 V C 0.971 177.092 176.094 0.045 0.000 1.054 214 V CA 1.617 63.928 62.300 0.018 0.000 1.073 214 V CB 0.147 31.991 31.823 0.036 0.000 0.699 214 V HN 0.970 nan 8.190 nan 0.000 0.463 215 G N -2.237 106.590 108.800 0.045 0.000 2.798 215 G HA2 0.528 4.489 3.960 0.001 0.000 0.286 215 G HA3 0.528 4.489 3.960 0.001 0.000 0.286 215 G C -0.324 174.617 174.900 0.069 0.000 1.389 215 G CA -0.770 44.408 45.100 0.130 0.000 0.894 215 G HN 0.091 nan 8.290 nan 0.000 0.488 216 L N -0.786 120.513 121.223 0.128 0.000 3.781 216 L HA -0.245 4.096 4.340 0.001 0.000 0.426 216 L C 2.159 179.036 176.870 0.011 0.000 1.197 216 L CA 0.198 55.072 54.840 0.057 0.000 0.907 216 L CB -0.907 41.144 42.059 -0.013 0.000 1.812 216 L HN 0.647 nan 8.230 nan 0.000 0.956 217 R N 0.527 120.990 120.500 -0.061 0.000 2.148 217 R HA -0.026 4.314 4.340 0.001 0.000 0.227 217 R C 2.115 178.341 176.300 -0.123 0.000 1.103 217 R CA 1.270 57.215 56.100 -0.258 0.000 0.983 217 R CB -0.099 29.683 30.300 -0.863 0.000 0.874 217 R HN 0.563 nan 8.270 nan 0.000 0.451 218 A N 0.973 123.769 122.820 -0.041 0.000 2.255 218 A HA -0.018 4.303 4.320 0.001 0.000 0.206 218 A C 0.587 178.140 177.584 -0.052 0.000 1.193 218 A CA 0.516 52.500 52.037 -0.087 0.000 0.794 218 A CB -0.118 18.677 19.000 -0.340 0.000 0.794 218 A HN 0.251 nan 8.150 nan 0.000 0.481 219 S N -0.585 115.111 115.700 -0.007 0.000 2.557 219 S HA 0.567 5.038 4.470 0.001 0.000 0.291 219 S C -0.618 174.026 174.600 0.074 0.000 1.116 219 S CA -0.757 57.480 58.200 0.062 0.000 0.992 219 S CB 1.047 64.278 63.200 0.053 0.000 1.028 219 S HN 0.420 nan 8.310 nan 0.000 0.484 220 I N 4.159 124.791 120.570 0.104 0.000 2.517 220 I HA 0.389 4.559 4.170 0.001 0.000 0.285 220 I C -0.066 176.097 176.117 0.077 0.000 1.106 220 I CA 1.115 62.460 61.300 0.075 0.000 1.402 220 I CB 0.384 38.434 38.000 0.083 0.000 1.399 220 I HN 0.833 nan 8.210 nan 0.000 0.535 221 T N 5.516 120.101 114.554 0.053 0.000 2.924 221 T HA 0.918 5.269 4.350 0.001 0.000 0.291 221 T C 0.032 174.733 174.700 0.002 0.000 1.045 221 T CA -0.248 61.904 62.100 0.087 0.000 1.015 221 T CB 1.715 70.705 68.868 0.203 0.000 1.103 221 T HN 0.861 nan 8.240 nan 0.000 0.496 222 G N 0.542 109.348 108.800 0.010 0.000 2.677 222 G HA2 0.613 4.573 3.960 0.001 0.000 0.283 222 G HA3 0.613 4.573 3.960 0.001 0.000 0.283 222 G C -1.789 173.077 174.900 -0.058 0.000 1.221 222 G CA -0.765 44.296 45.100 -0.065 0.000 0.851 222 G HN 0.624 nan 8.290 nan 0.000 0.504 223 E N -0.998 119.173 120.200 -0.048 0.000 2.299 223 E HA 0.656 5.007 4.350 0.001 0.000 0.260 223 E C -1.060 175.565 176.600 0.042 0.000 0.944 223 E CA -0.724 55.657 56.400 -0.031 0.000 0.815 223 E CB 2.792 32.447 29.700 -0.076 0.000 1.252 223 E HN 0.295 nan 8.360 nan 0.000 0.418 224 I N 1.354 121.951 120.570 0.046 0.000 2.406 224 I HA 0.253 4.424 4.170 0.001 0.000 0.290 224 I C -0.995 175.103 176.117 -0.030 0.000 0.999 224 I CA -0.903 60.419 61.300 0.037 0.000 1.124 224 I CB 1.735 39.788 38.000 0.088 0.000 1.289 224 I HN 0.141 nan 8.210 nan 0.000 0.441 225 V N 7.725 127.598 119.914 -0.068 0.000 2.334 225 V HA 0.372 4.493 4.120 0.001 0.000 0.281 225 V C -0.123 175.910 176.094 -0.102 0.000 1.016 225 V CA -0.446 61.810 62.300 -0.073 0.000 0.832 225 V CB 1.425 33.212 31.823 -0.061 0.000 0.999 225 V HN 0.471 nan 8.190 nan 0.000 0.439 226 L N 4.685 125.851 121.223 -0.095 0.000 2.264 226 L HA 0.507 4.847 4.340 0.001 0.000 0.287 226 L C 0.006 176.825 176.870 -0.084 0.000 1.039 226 L CA -0.084 54.690 54.840 -0.110 0.000 0.829 226 L CB 1.086 43.071 42.059 -0.123 0.000 1.211 226 L HN 0.531 nan 8.230 nan 0.000 0.427 227 D N 5.710 126.063 120.400 -0.079 0.000 2.485 227 D HA 0.039 4.680 4.640 0.001 0.000 0.229 227 D C -0.118 176.151 176.300 -0.052 0.000 1.101 227 D CA -0.195 53.770 54.000 -0.058 0.000 0.906 227 D CB 0.679 41.449 40.800 -0.051 0.000 1.019 227 D HN 0.439 nan 8.370 nan 0.000 0.516 228 E N 0.771 120.942 120.200 -0.049 0.000 2.160 228 E HA -0.213 4.137 4.350 0.001 0.000 0.180 228 E C -0.596 175.991 176.600 -0.022 0.000 1.452 228 E CA 0.355 56.734 56.400 -0.034 0.000 0.683 228 E CB -1.393 28.294 29.700 -0.021 0.000 1.072 228 E HN 0.484 nan 8.360 nan 0.000 0.332 229 A N 1.876 124.664 122.820 -0.053 0.000 2.309 229 A HA 0.449 4.770 4.320 0.001 0.000 0.290 229 A C -0.137 177.440 177.584 -0.012 0.000 1.206 229 A CA -0.508 51.500 52.037 -0.049 0.000 0.850 229 A CB 0.212 19.138 19.000 -0.122 0.000 1.118 229 A HN 0.304 nan 8.150 nan 0.000 0.523 230 F N 4.177 124.074 119.950 -0.088 0.000 2.467 230 F HA 0.475 5.003 4.527 0.001 0.000 0.362 230 F C -0.313 175.459 175.800 -0.047 0.000 1.090 230 F CA -0.068 57.895 58.000 -0.063 0.000 1.202 230 F CB 0.846 39.817 39.000 -0.047 0.000 1.113 230 F HN 0.297 nan 8.300 nan 0.000 0.541 231 V N 8.074 127.498 119.914 -0.817 0.000 2.444 231 V HA 0.364 4.485 4.120 0.001 0.000 0.294 231 V C -2.202 173.360 176.094 -0.886 0.000 1.022 231 V CA -2.095 59.811 62.300 -0.656 0.000 0.850 231 V CB 1.421 33.081 31.823 -0.271 0.000 0.992 231 V HN 0.655 nan 8.190 nan 0.000 0.426 232 P HA 0.096 nan 4.420 nan 0.000 0.270 232 P C 0.872 178.161 177.300 -0.019 0.000 1.227 232 P CA -0.053 62.865 63.100 -0.303 0.000 0.788 232 P CB 0.811 32.469 31.700 -0.070 0.000 0.926 233 E N 1.356 121.586 120.200 0.051 0.000 2.153 233 E HA -0.197 4.154 4.350 0.001 0.000 0.194 233 E C 1.444 178.122 176.600 0.131 0.000 0.988 233 E CA 1.149 57.644 56.400 0.158 0.000 0.811 233 E CB -0.191 29.556 29.700 0.079 0.000 0.746 233 E HN 0.641 nan 8.360 nan 0.000 0.466 234 E N 0.071 120.318 120.200 0.079 0.000 2.516 234 E HA -0.083 4.268 4.350 0.001 0.000 0.199 234 E C 0.836 177.478 176.600 0.070 0.000 1.069 234 E CA 0.459 56.897 56.400 0.065 0.000 0.876 234 E CB -0.119 29.617 29.700 0.061 0.000 0.843 234 E HN 0.157 nan 8.360 nan 0.000 0.530 235 N N 0.703 119.445 118.700 0.069 0.000 2.184 235 N HA 0.169 4.909 4.740 0.001 0.000 0.206 235 N C 0.020 175.520 175.510 -0.017 0.000 1.151 235 N CA -0.139 52.945 53.050 0.056 0.000 0.878 235 N CB 1.160 39.678 38.487 0.053 0.000 1.014 235 N HN 0.241 nan 8.380 nan 0.000 0.512 236 I N 2.262 122.792 120.570 -0.066 0.000 2.371 236 I HA 0.085 4.256 4.170 0.001 0.000 0.290 236 I C -0.489 175.438 176.117 -0.318 0.000 1.028 236 I CA -0.598 60.489 61.300 -0.356 0.000 1.345 236 I CB 0.734 38.407 38.000 -0.546 0.000 1.407 236 I HN -0.242 nan 8.210 nan 0.000 0.501 237 L N 11.028 132.014 121.223 -0.395 0.000 2.597 237 L HA 0.129 4.470 4.340 0.001 0.000 0.271 237 L C -1.622 175.087 176.870 -0.268 0.000 1.157 237 L CA -1.099 53.591 54.840 -0.249 0.000 0.928 237 L CB -0.146 41.790 42.059 -0.205 0.000 1.216 237 L HN 0.501 nan 8.230 nan 0.000 0.481 238 P HA -0.034 nan 4.420 nan 0.000 0.224 238 P C 0.560 177.656 177.300 -0.341 0.000 1.157 238 P CA 1.127 63.992 63.100 -0.391 0.000 0.799 238 P CB 0.182 31.528 31.700 -0.590 0.000 0.809 239 H N -1.687 117.401 119.070 0.029 0.000 2.519 239 H HA 0.412 4.969 4.556 0.001 0.000 0.289 239 H C -0.205 175.157 175.328 0.058 0.000 1.040 239 H CA -0.368 55.724 56.048 0.073 0.000 1.165 239 H CB 0.279 30.115 29.762 0.124 0.000 1.462 239 H HN -0.093 nan 8.280 nan 0.000 0.555 240 V N 1.827 121.722 119.914 -0.033 0.000 2.752 240 V HA 0.265 4.385 4.120 0.001 0.000 0.302 240 V C -1.463 174.512 176.094 -0.199 0.000 1.133 240 V CA -0.886 61.279 62.300 -0.225 0.000 0.919 240 V CB 1.815 33.129 31.823 -0.849 0.000 1.026 240 V HN 0.400 nan 8.190 nan 0.000 0.429 241 K N 5.048 125.356 120.400 -0.154 0.000 2.328 241 K HA 0.993 5.314 4.320 0.001 0.000 0.246 241 K C 0.241 176.754 176.600 -0.144 0.000 0.955 241 K CA 0.006 56.214 56.287 -0.132 0.000 0.817 241 K CB 2.179 34.623 32.500 -0.092 0.000 1.208 241 K HN 1.672 nan 8.250 nan 0.000 0.432 242 G N 0.836 109.554 108.800 -0.137 0.000 2.632 242 G HA2 -0.267 3.693 3.960 0.001 0.000 0.224 242 G HA3 -0.267 3.693 3.960 0.001 0.000 0.224 242 G C 0.187 174.920 174.900 -0.277 0.000 1.341 242 G CA -0.143 44.855 45.100 -0.171 0.000 0.880 242 G HN 0.443 nan 8.290 nan 0.000 0.566 243 L N 0.880 121.884 121.223 -0.365 0.000 2.021 243 L HA -0.076 4.264 4.340 0.001 0.000 0.215 243 L C 3.080 179.583 176.870 -0.612 0.000 1.074 243 L CA 2.971 57.398 54.840 -0.689 0.000 0.760 243 L CB -0.933 40.644 42.059 -0.804 0.000 0.889 243 L HN 0.744 nan 8.230 nan 0.000 0.433 244 R N -0.673 119.641 120.500 -0.310 0.000 2.211 244 R HA -0.170 4.171 4.340 0.001 0.000 0.240 244 R C 2.056 178.263 176.300 -0.155 0.000 1.144 244 R CA 1.239 57.276 56.100 -0.104 0.000 0.992 244 R CB -0.448 29.835 30.300 -0.028 0.000 0.869 244 R HN 0.483 nan 8.270 nan 0.000 0.462 245 G N 1.183 109.739 108.800 -0.406 0.000 2.505 245 G HA2 -0.170 3.791 3.960 0.001 0.000 0.214 245 G HA3 -0.170 3.791 3.960 0.001 0.000 0.214 245 G C -1.048 173.517 174.900 -0.559 0.000 1.237 245 G CA 0.448 45.202 45.100 -0.576 0.000 0.802 245 G HN 0.382 nan 8.290 nan 0.000 0.549 246 P HA 0.079 nan 4.420 nan 0.000 0.222 246 P C 1.566 178.895 177.300 0.049 0.000 1.153 246 P CA 0.537 63.251 63.100 -0.643 0.000 0.798 246 P CB -0.091 31.152 31.700 -0.761 0.000 0.796 247 F N 0.316 120.182 119.950 -0.139 0.000 2.069 247 F HA -0.218 4.310 4.527 0.001 0.000 0.298 247 F C 2.276 178.103 175.800 0.046 0.000 1.113 247 F CA 1.220 59.205 58.000 -0.026 0.000 1.214 247 F CB -1.040 37.947 39.000 -0.022 0.000 0.978 247 F HN -0.085 nan 8.300 nan 0.000 0.474 248 T N -0.340 114.404 114.554 0.318 0.000 2.653 248 T HA -0.282 4.068 4.350 0.001 0.000 0.268 248 T C 1.859 176.685 174.700 0.209 0.000 1.035 248 T CA 1.624 63.896 62.100 0.285 0.000 1.154 248 T CB -0.878 68.263 68.868 0.455 0.000 0.862 248 T HN 0.393 nan 8.240 nan 0.000 0.441 249 C N 0.965 120.394 119.300 0.215 0.000 2.453 249 C HA 0.108 4.569 4.460 0.001 0.000 0.277 249 C C 2.736 177.736 174.990 0.016 0.000 1.262 249 C CA 0.109 59.191 59.018 0.107 0.000 1.718 249 C CB -1.510 26.267 27.740 0.062 0.000 2.031 249 C HN 0.496 nan 8.230 nan 0.000 0.480 250 L N 1.410 122.650 121.223 0.028 0.000 2.017 250 L HA -0.157 4.184 4.340 0.001 0.000 0.208 250 L C 2.582 179.479 176.870 0.045 0.000 1.073 250 L CA 1.832 56.688 54.840 0.026 0.000 0.745 250 L CB -0.913 41.184 42.059 0.062 0.000 0.894 250 L HN 0.398 nan 8.230 nan 0.000 0.432 251 N N -0.126 118.599 118.700 0.042 0.000 2.061 251 N HA -0.244 4.496 4.740 0.001 0.000 0.193 251 N C 2.051 177.608 175.510 0.078 0.000 1.030 251 N CA 1.910 54.981 53.050 0.035 0.000 0.856 251 N CB -0.197 38.304 38.487 0.023 0.000 1.023 251 N HN 0.184 nan 8.380 nan 0.000 0.424 252 S N -0.806 114.962 115.700 0.112 0.000 2.368 252 S HA -0.059 4.412 4.470 0.001 0.000 0.225 252 S C 1.968 176.730 174.600 0.269 0.000 1.030 252 S CA 1.502 59.825 58.200 0.205 0.000 0.999 252 S CB -0.677 62.659 63.200 0.226 0.000 0.844 252 S HN 0.502 nan 8.310 nan 0.000 0.459 253 A N 1.475 124.396 122.820 0.167 0.000 1.902 253 A HA -0.037 4.284 4.320 0.001 0.000 0.217 253 A C 2.239 179.872 177.584 0.082 0.000 1.181 253 A CA 1.502 53.618 52.037 0.133 0.000 0.623 253 A CB -0.618 18.419 19.000 0.062 0.000 0.818 253 A HN 0.632 nan 8.150 nan 0.000 0.443 254 R N -2.161 118.380 120.500 0.069 0.000 2.115 254 R HA -0.106 4.234 4.340 0.001 0.000 0.230 254 R C 2.086 178.383 176.300 -0.005 0.000 1.111 254 R CA 1.449 57.558 56.100 0.015 0.000 0.976 254 R CB -0.546 29.748 30.300 -0.009 0.000 0.870 254 R HN 0.735 nan 8.270 nan 0.000 0.445 255 Y N 0.795 121.068 120.300 -0.046 0.000 2.097 255 Y HA -0.218 4.333 4.550 0.001 0.000 0.282 255 Y C 2.332 178.206 175.900 -0.044 0.000 1.152 255 Y CA 1.851 59.930 58.100 -0.034 0.000 1.136 255 Y CB -0.638 37.799 38.460 -0.039 0.000 0.975 255 Y HN 0.055 nan 8.280 nan 0.000 0.498 256 G N 0.428 109.059 108.800 -0.281 0.000 2.421 256 G HA2 -0.260 3.701 3.960 0.001 0.000 0.216 256 G HA3 -0.260 3.701 3.960 0.001 0.000 0.216 256 G C 1.683 176.430 174.900 -0.255 0.000 1.171 256 G CA 1.351 46.127 45.100 -0.539 0.000 0.775 256 G HN 0.518 nan 8.290 nan 0.000 0.543 257 I N 1.529 122.019 120.570 -0.134 0.000 2.163 257 I HA -0.220 3.951 4.170 0.001 0.000 0.243 257 I C 3.306 179.359 176.117 -0.106 0.000 1.085 257 I CA 1.049 62.300 61.300 -0.082 0.000 1.347 257 I CB -0.242 37.733 38.000 -0.041 0.000 1.044 257 I HN 0.243 nan 8.210 nan 0.000 0.408 258 A N -0.084 122.641 122.820 -0.157 0.000 1.940 258 A HA -0.251 4.070 4.320 0.001 0.000 0.219 258 A C 2.022 179.458 177.584 -0.246 0.000 1.176 258 A CA 1.595 53.505 52.037 -0.211 0.000 0.631 258 A CB -1.073 17.772 19.000 -0.259 0.000 0.814 258 A HN 0.568 nan 8.150 nan 0.000 0.446 259 W N -0.474 120.609 121.300 -0.362 0.000 2.409 259 W HA 0.090 4.751 4.660 0.001 0.000 0.299 259 W C 2.573 178.969 176.519 -0.205 0.000 1.203 259 W CA 1.206 58.363 57.345 -0.312 0.000 1.298 259 W CB -0.472 28.725 29.460 -0.439 0.000 1.127 259 W HN 0.360 nan 8.180 nan 0.000 0.528 260 G N -0.183 108.644 108.800 0.045 0.000 2.408 260 G HA2 -0.202 3.759 3.960 0.001 0.000 0.217 260 G HA3 -0.202 3.759 3.960 0.001 0.000 0.217 260 G C 1.605 176.503 174.900 -0.004 0.000 1.150 260 G CA 1.160 46.274 45.100 0.023 0.000 0.776 260 G HN 0.285 nan 8.290 nan 0.000 0.542 261 A N 0.474 123.270 122.820 -0.039 0.000 1.972 261 A HA 0.114 4.435 4.320 0.001 0.000 0.219 261 A C 2.393 179.935 177.584 -0.070 0.000 1.169 261 A CA 1.082 53.086 52.037 -0.054 0.000 0.635 261 A CB -0.308 18.650 19.000 -0.069 0.000 0.810 261 A HN 0.372 nan 8.150 nan 0.000 0.446 262 L N -0.904 120.271 121.223 -0.079 0.000 2.093 262 L HA -0.096 4.244 4.340 0.001 0.000 0.208 262 L C 2.850 179.693 176.870 -0.046 0.000 1.085 262 L CA 0.934 55.724 54.840 -0.083 0.000 0.755 262 L CB -0.902 41.078 42.059 -0.131 0.000 0.904 262 L HN 0.485 nan 8.230 nan 0.000 0.435 263 G N 0.022 108.813 108.800 -0.015 0.000 2.514 263 G HA2 -0.333 3.627 3.960 0.001 0.000 0.217 263 G HA3 -0.333 3.627 3.960 0.001 0.000 0.217 263 G C 1.769 176.610 174.900 -0.098 0.000 1.198 263 G CA 0.995 46.083 45.100 -0.020 0.000 0.780 263 G HN 0.469 nan 8.290 nan 0.000 0.565 264 A N 1.110 123.862 122.820 -0.113 0.000 1.940 264 A HA 0.170 4.490 4.320 0.001 0.000 0.219 264 A C 2.842 180.231 177.584 -0.325 0.000 1.176 264 A CA 2.536 54.402 52.037 -0.285 0.000 0.631 264 A CB -0.861 18.065 19.000 -0.123 0.000 0.814 264 A HN 0.952 nan 8.150 nan 0.000 0.446 265 A N -0.280 122.444 122.820 -0.160 0.000 1.908 265 A HA -0.207 4.113 4.320 0.001 0.000 0.218 265 A C 1.923 179.494 177.584 -0.021 0.000 1.181 265 A CA 1.800 53.779 52.037 -0.096 0.000 0.627 265 A CB -0.567 18.390 19.000 -0.072 0.000 0.818 265 A HN 0.649 nan 8.150 nan 0.000 0.445 266 E N -0.269 119.918 120.200 -0.022 0.000 2.051 266 E HA -0.123 4.227 4.350 0.001 0.000 0.192 266 E C 2.356 178.809 176.600 -0.246 0.000 0.991 266 E CA 1.278 57.676 56.400 -0.003 0.000 0.799 266 E CB -0.177 29.448 29.700 -0.125 0.000 0.748 266 E HN 0.568 nan 8.360 nan 0.000 0.449 267 S N 0.329 115.858 115.700 -0.284 0.000 2.365 267 S HA -0.223 4.248 4.470 0.001 0.000 0.225 267 S C 2.166 176.693 174.600 -0.122 0.000 1.039 267 S CA 1.231 59.286 58.200 -0.243 0.000 1.033 267 S CB -0.391 62.614 63.200 -0.325 0.000 0.887 267 S HN 0.419 nan 8.310 nan 0.000 0.447 268 C N -0.014 119.196 119.300 -0.149 0.000 2.429 268 C HA -0.074 4.386 4.460 0.001 0.000 0.277 268 C C 2.257 177.321 174.990 0.124 0.000 1.262 268 C CA 0.165 59.163 59.018 -0.034 0.000 1.733 268 C CB -1.489 26.212 27.740 -0.064 0.000 2.010 268 C HN 0.864 nan 8.230 nan 0.000 0.483 269 W N 1.458 122.755 121.300 -0.005 0.000 2.354 269 W HA -0.099 4.562 4.660 0.001 0.000 0.315 269 W C 2.521 179.169 176.519 0.216 0.000 1.206 269 W CA 1.693 59.100 57.345 0.104 0.000 1.290 269 W CB -1.235 28.322 29.460 0.161 0.000 1.152 269 W HN 0.500 nan 8.180 nan 0.000 0.489 270 H N -0.604 118.401 119.070 -0.109 0.000 2.387 270 H HA -0.146 4.410 4.556 0.001 0.000 0.299 270 H C 2.302 177.582 175.328 -0.079 0.000 1.090 270 H CA 1.655 57.578 56.048 -0.210 0.000 1.332 270 H CB -0.140 29.545 29.762 -0.129 0.000 1.386 270 H HN 0.170 nan 8.280 nan 0.000 0.516 271 I N 0.748 121.387 120.570 0.115 0.000 2.202 271 I HA -0.228 3.943 4.170 0.001 0.000 0.242 271 I C 2.827 178.986 176.117 0.070 0.000 1.091 271 I CA 0.844 62.188 61.300 0.073 0.000 1.368 271 I CB -0.193 37.831 38.000 0.041 0.000 1.058 271 I HN 0.231 nan 8.210 nan 0.000 0.410 272 A N 0.559 123.418 122.820 0.065 0.000 1.933 272 A HA -0.241 4.080 4.320 0.001 0.000 0.218 272 A C 2.430 180.075 177.584 0.102 0.000 1.175 272 A CA 1.681 53.761 52.037 0.072 0.000 0.628 272 A CB -0.617 18.430 19.000 0.079 0.000 0.814 272 A HN 0.353 nan 8.150 nan 0.000 0.444 273 R N -0.943 119.582 120.500 0.042 0.000 2.070 273 R HA -0.207 4.134 4.340 0.001 0.000 0.233 273 R C 2.398 178.655 176.300 -0.072 0.000 1.137 273 R CA 1.935 57.995 56.100 -0.067 0.000 0.945 273 R CB -0.322 29.808 30.300 -0.284 0.000 0.845 273 R HN 0.488 nan 8.270 nan 0.000 0.430 274 Q N -0.247 119.525 119.800 -0.046 0.000 2.096 274 Q HA -0.228 4.113 4.340 0.001 0.000 0.204 274 Q C 1.772 177.784 176.000 0.020 0.000 0.982 274 Q CA 2.050 57.840 55.803 -0.022 0.000 0.850 274 Q CB -0.615 28.130 28.738 0.012 0.000 0.901 274 Q HN 0.527 nan 8.270 nan 0.000 0.422 275 Y N -0.035 120.242 120.300 -0.038 0.000 2.128 275 Y HA -0.229 4.321 4.550 0.001 0.000 0.284 275 Y C 1.967 177.847 175.900 -0.033 0.000 1.154 275 Y CA 2.080 60.165 58.100 -0.026 0.000 1.149 275 Y CB -0.222 38.224 38.460 -0.024 0.000 0.976 275 Y HN 0.122 nan 8.280 nan 0.000 0.505 276 V N -2.645 117.319 119.914 0.084 0.000 2.809 276 V HA -0.152 3.969 4.120 0.001 0.000 0.256 276 V C 1.986 178.027 176.094 -0.089 0.000 1.080 276 V CA 1.190 63.486 62.300 -0.006 0.000 1.102 276 V CB -0.818 31.044 31.823 0.064 0.000 0.705 276 V HN 0.319 nan 8.190 nan 0.000 0.475 277 L N 1.068 122.235 121.223 -0.093 0.000 2.072 277 L HA 0.036 4.376 4.340 0.001 0.000 0.205 277 L C 2.283 179.082 176.870 -0.120 0.000 1.079 277 L CA 1.828 56.606 54.840 -0.103 0.000 0.752 277 L CB -1.253 40.743 42.059 -0.104 0.000 0.906 277 L HN 0.336 nan 8.230 nan 0.000 0.436 278 D N -0.953 119.357 120.400 -0.150 0.000 2.123 278 D HA -0.070 4.571 4.640 0.001 0.000 0.200 278 D C 1.138 177.308 176.300 -0.217 0.000 0.976 278 D CA 0.642 54.545 54.000 -0.162 0.000 0.831 278 D CB 0.021 40.731 40.800 -0.150 0.000 0.974 278 D HN -0.022 nan 8.370 nan 0.000 0.469 279 R N 0.804 121.094 120.500 -0.349 0.000 2.390 279 R HA 0.310 4.651 4.340 0.001 0.000 0.291 279 R C -0.553 175.615 176.300 -0.220 0.000 1.070 279 R CA -0.038 55.847 56.100 -0.358 0.000 1.014 279 R CB 0.554 30.466 30.300 -0.647 0.000 1.007 279 R HN -0.240 nan 8.270 nan 0.000 0.466 280 K N 1.652 121.949 120.400 -0.172 0.000 2.259 280 K HA 0.409 4.729 4.320 0.001 0.000 0.252 280 K C -1.082 175.415 176.600 -0.171 0.000 0.936 280 K CA -0.624 55.583 56.287 -0.134 0.000 0.810 280 K CB 1.994 34.436 32.500 -0.097 0.000 1.143 280 K HN 0.454 nan 8.250 nan 0.000 0.427 281 Q N 1.936 121.614 119.800 -0.204 0.000 2.379 281 Q HA 0.374 4.714 4.340 0.001 0.000 0.278 281 Q C -1.019 174.784 176.000 -0.329 0.000 1.068 281 Q CA -0.656 54.900 55.803 -0.411 0.000 0.816 281 Q CB 0.891 29.250 28.738 -0.632 0.000 1.387 281 Q HN 0.507 nan 8.270 nan 0.000 0.413 282 F N 1.342 121.288 119.950 -0.007 0.000 3.090 282 F HA -0.230 4.297 4.527 0.001 0.000 0.282 282 F C 0.997 176.791 175.800 -0.010 0.000 0.923 282 F CA 1.337 59.333 58.000 -0.006 0.000 0.977 282 F CB -2.175 36.822 39.000 -0.004 0.000 0.954 282 F HN 0.912 nan 8.300 nan 0.000 0.695 283 G N -0.230 108.619 108.800 0.081 0.000 2.160 283 G HA2 -0.321 3.639 3.960 0.001 0.000 0.251 283 G HA3 -0.321 3.639 3.960 0.001 0.000 0.251 283 G C 0.198 175.116 174.900 0.029 0.000 1.008 283 G CA 0.283 45.410 45.100 0.044 0.000 0.724 283 G HN 0.817 nan 8.290 nan 0.000 0.514 284 R N -0.128 120.383 120.500 0.019 0.000 2.584 284 R HA 0.491 4.831 4.340 0.001 0.000 0.276 284 R C -2.975 173.313 176.300 -0.020 0.000 1.046 284 R CA -1.976 54.136 56.100 0.019 0.000 0.906 284 R CB 2.101 32.445 30.300 0.073 0.000 1.215 284 R HN 0.009 nan 8.270 nan 0.000 0.449 285 P HA 0.010 nan 4.420 nan 0.000 0.269 285 P C 0.625 177.899 177.300 -0.044 0.000 1.209 285 P CA -0.425 62.641 63.100 -0.057 0.000 0.776 285 P CB 0.598 32.264 31.700 -0.057 0.000 0.876 286 L N 2.650 123.833 121.223 -0.065 0.000 2.127 286 L HA -0.194 4.146 4.340 0.001 0.000 0.211 286 L C 2.333 179.199 176.870 -0.006 0.000 1.089 286 L CA 1.995 56.816 54.840 -0.031 0.000 0.757 286 L CB -1.989 40.053 42.059 -0.028 0.000 0.899 286 L HN 0.440 nan 8.230 nan 0.000 0.434 287 A N -0.958 121.848 122.820 -0.023 0.000 2.125 287 A HA -0.093 4.228 4.320 0.001 0.000 0.219 287 A C 2.409 179.986 177.584 -0.013 0.000 1.156 287 A CA 1.367 53.391 52.037 -0.023 0.000 0.671 287 A CB -0.660 18.309 19.000 -0.052 0.000 0.794 287 A HN 0.387 nan 8.150 nan 0.000 0.459 288 A N -0.086 122.731 122.820 -0.005 0.000 2.119 288 A HA -0.017 4.304 4.320 0.001 0.000 0.217 288 A C 0.892 178.488 177.584 0.020 0.000 1.153 288 A CA 0.181 52.222 52.037 0.007 0.000 0.692 288 A CB -0.300 18.709 19.000 0.015 0.000 0.799 288 A HN 0.525 nan 8.150 nan 0.000 0.458 289 N N 0.652 119.369 118.700 0.029 0.000 2.470 289 N HA 0.090 4.831 4.740 0.001 0.000 0.268 289 N C 0.650 176.176 175.510 0.026 0.000 1.136 289 N CA -0.018 53.055 53.050 0.039 0.000 0.961 289 N CB 0.881 39.401 38.487 0.055 0.000 1.067 289 N HN 0.446 nan 8.380 nan 0.000 0.468 290 Q N 1.143 120.956 119.800 0.023 0.000 2.077 290 Q HA -0.179 4.162 4.340 0.001 0.000 0.206 290 Q C 1.423 177.433 176.000 0.016 0.000 0.989 290 Q CA 1.244 57.056 55.803 0.015 0.000 0.853 290 Q CB -0.042 28.703 28.738 0.012 0.000 0.907 290 Q HN 0.463 nan 8.270 nan 0.000 0.418 291 L N 0.552 121.787 121.223 0.021 0.000 2.081 291 L HA -0.212 4.128 4.340 0.001 0.000 0.212 291 L C 2.174 179.057 176.870 0.021 0.000 1.080 291 L CA 1.513 56.365 54.840 0.020 0.000 0.754 291 L CB -0.826 41.249 42.059 0.026 0.000 0.893 291 L HN 0.311 nan 8.230 nan 0.000 0.433 292 I N -0.970 119.616 120.570 0.027 0.000 2.252 292 I HA -0.253 3.917 4.170 0.001 0.000 0.245 292 I C 2.459 178.592 176.117 0.026 0.000 1.102 292 I CA 1.105 62.423 61.300 0.030 0.000 1.385 292 I CB -0.991 37.030 38.000 0.035 0.000 1.064 292 I HN 0.436 nan 8.210 nan 0.000 0.414 293 Q N 0.447 120.259 119.800 0.020 0.000 2.119 293 Q HA -0.239 4.102 4.340 0.001 0.000 0.201 293 Q C 2.153 178.163 176.000 0.017 0.000 0.972 293 Q CA 1.465 57.279 55.803 0.018 0.000 0.847 293 Q CB -0.114 28.631 28.738 0.012 0.000 0.903 293 Q HN 0.377 nan 8.270 nan 0.000 0.433 294 K N 1.600 122.005 120.400 0.009 0.000 2.063 294 K HA -0.177 4.144 4.320 0.001 0.000 0.208 294 K C 1.715 178.310 176.600 -0.008 0.000 1.048 294 K CA 1.550 57.837 56.287 -0.001 0.000 0.928 294 K CB 0.057 32.555 32.500 -0.003 0.000 0.713 294 K HN -0.018 nan 8.250 nan 0.000 0.442 295 K N 0.371 120.770 120.400 -0.001 0.000 2.026 295 K HA -0.067 4.254 4.320 0.001 0.000 0.208 295 K C 2.143 178.735 176.600 -0.013 0.000 1.048 295 K CA 1.689 57.970 56.287 -0.009 0.000 0.929 295 K CB -0.249 32.254 32.500 0.004 0.000 0.713 295 K HN 0.141 nan 8.250 nan 0.000 0.439 296 L N 0.607 121.848 121.223 0.030 0.000 2.083 296 L HA -0.191 4.149 4.340 0.001 0.000 0.209 296 L C 2.612 179.489 176.870 0.011 0.000 1.083 296 L CA 1.052 55.941 54.840 0.080 0.000 0.752 296 L CB -0.640 41.501 42.059 0.137 0.000 0.899 296 L HN 0.234 nan 8.230 nan 0.000 0.433 297 A N -0.087 122.736 122.820 0.004 0.000 1.902 297 A HA -0.227 4.093 4.320 0.001 0.000 0.217 297 A C 1.948 179.479 177.584 -0.089 0.000 1.181 297 A CA 1.943 53.971 52.037 -0.015 0.000 0.623 297 A CB -0.471 18.529 19.000 0.001 0.000 0.818 297 A HN 0.350 nan 8.150 nan 0.000 0.443 298 D N -0.341 120.001 120.400 -0.097 0.000 2.117 298 D HA -0.132 4.509 4.640 0.001 0.000 0.197 298 D C 2.085 178.257 176.300 -0.214 0.000 0.987 298 D CA 1.448 55.373 54.000 -0.124 0.000 0.829 298 D CB -0.358 40.389 40.800 -0.089 0.000 0.961 298 D HN 0.508 nan 8.370 nan 0.000 0.460 299 M N 0.390 119.813 119.600 -0.295 0.000 2.065 299 M HA -0.207 4.274 4.480 0.001 0.000 0.259 299 M C 2.417 178.239 176.300 -0.797 0.000 1.069 299 M CA 1.435 56.435 55.300 -0.499 0.000 1.110 299 M CB -0.412 31.833 32.600 -0.591 0.000 1.328 299 M HN -0.032 nan 8.290 nan 0.000 0.405 300 Q N 0.030 119.258 119.800 -0.952 0.000 2.061 300 Q HA -0.185 4.156 4.340 0.001 0.000 0.204 300 Q C 1.769 177.531 176.000 -0.396 0.000 0.984 300 Q CA 2.401 57.662 55.803 -0.904 0.000 0.846 300 Q CB -0.097 28.468 28.738 -0.287 0.000 0.902 300 Q HN 0.476 nan 8.270 nan 0.000 0.421 301 T N 1.297 115.710 114.554 -0.236 0.000 2.652 301 T HA -0.156 4.195 4.350 0.001 0.000 0.267 301 T C 1.585 176.194 174.700 -0.153 0.000 1.039 301 T CA 1.498 63.517 62.100 -0.134 0.000 1.153 301 T CB -0.227 68.585 68.868 -0.093 0.000 0.863 301 T HN 0.339 nan 8.240 nan 0.000 0.428 302 E N 0.706 120.793 120.200 -0.189 0.000 2.106 302 E HA 0.011 4.361 4.350 0.001 0.000 0.192 302 E C 2.285 178.783 176.600 -0.170 0.000 0.984 302 E CA 0.682 56.984 56.400 -0.162 0.000 0.806 302 E CB -0.400 29.207 29.700 -0.155 0.000 0.750 302 E HN 0.524 nan 8.360 nan 0.000 0.458 303 I N 0.916 121.356 120.570 -0.217 0.000 2.252 303 I HA -0.233 3.938 4.170 0.001 0.000 0.245 303 I C 2.298 178.339 176.117 -0.126 0.000 1.102 303 I CA 1.258 62.456 61.300 -0.170 0.000 1.385 303 I CB -0.371 37.527 38.000 -0.170 0.000 1.064 303 I HN 0.044 nan 8.210 nan 0.000 0.414 304 T N 1.263 115.747 114.554 -0.116 0.000 2.746 304 T HA -0.118 4.233 4.350 0.001 0.000 0.267 304 T C 1.928 176.584 174.700 -0.074 0.000 1.039 304 T CA 1.302 63.367 62.100 -0.059 0.000 1.142 304 T CB -0.273 68.583 68.868 -0.021 0.000 0.866 304 T HN 0.225 nan 8.240 nan 0.000 0.444 305 L N 0.533 121.703 121.223 -0.089 0.000 2.044 305 L HA 0.074 4.414 4.340 0.001 0.000 0.205 305 L C 3.085 179.879 176.870 -0.126 0.000 1.075 305 L CA 1.250 56.036 54.840 -0.091 0.000 0.747 305 L CB -1.039 40.970 42.059 -0.082 0.000 0.903 305 L HN 0.340 nan 8.230 nan 0.000 0.435 306 G N 0.224 108.935 108.800 -0.148 0.000 2.469 306 G HA2 -0.234 3.726 3.960 0.001 0.000 0.220 306 G HA3 -0.234 3.726 3.960 0.001 0.000 0.220 306 G C 1.636 176.373 174.900 -0.273 0.000 1.136 306 G CA 0.719 45.702 45.100 -0.195 0.000 0.759 306 G HN 0.225 nan 8.290 nan 0.000 0.562 307 L N -0.336 120.739 121.223 -0.248 0.000 2.109 307 L HA -0.038 4.303 4.340 0.001 0.000 0.207 307 L C 3.124 179.821 176.870 -0.288 0.000 1.086 307 L CA 0.655 55.299 54.840 -0.327 0.000 0.760 307 L CB -0.297 41.647 42.059 -0.192 0.000 0.910 307 L HN 0.112 nan 8.230 nan 0.000 0.437 308 Q N 0.004 119.705 119.800 -0.165 0.000 2.181 308 Q HA -0.155 4.186 4.340 0.001 0.000 0.205 308 Q C 2.231 178.153 176.000 -0.130 0.000 0.980 308 Q CA 1.699 57.436 55.803 -0.110 0.000 0.862 308 Q CB -0.671 28.027 28.738 -0.066 0.000 0.905 308 Q HN 0.577 nan 8.270 nan 0.000 0.429 309 G N 0.664 109.358 108.800 -0.176 0.000 2.414 309 G HA2 -0.169 3.792 3.960 0.001 0.000 0.215 309 G HA3 -0.169 3.792 3.960 0.001 0.000 0.215 309 G C 1.569 176.345 174.900 -0.206 0.000 1.188 309 G CA 1.480 46.481 45.100 -0.166 0.000 0.783 309 G HN 0.379 nan 8.290 nan 0.000 0.537 310 V N -0.818 118.848 119.914 -0.414 0.000 2.667 310 V HA 0.021 4.142 4.120 0.001 0.000 0.252 310 V C 2.551 178.505 176.094 -0.232 0.000 1.065 310 V CA 1.400 63.348 62.300 -0.586 0.000 1.083 310 V CB -0.607 30.330 31.823 -1.478 0.000 0.692 310 V HN 0.201 nan 8.190 nan 0.000 0.468 311 L N 1.207 122.314 121.223 -0.193 0.000 1.976 311 L HA -0.061 4.279 4.340 0.001 0.000 0.209 311 L C 2.670 179.657 176.870 0.196 0.000 1.071 311 L CA 2.599 57.558 54.840 0.199 0.000 0.746 311 L CB -1.062 41.066 42.059 0.114 0.000 0.890 311 L HN 0.418 nan 8.230 nan 0.000 0.432 312 R N -0.254 120.293 120.500 0.078 0.000 2.080 312 R HA -0.211 4.130 4.340 0.001 0.000 0.236 312 R C 2.213 178.573 176.300 0.099 0.000 1.137 312 R CA 2.308 58.450 56.100 0.070 0.000 0.943 312 R CB -1.384 28.929 30.300 0.021 0.000 0.846 312 R HN 0.454 nan 8.270 nan 0.000 0.431 313 L N 0.255 121.541 121.223 0.105 0.000 2.043 313 L HA -0.006 4.335 4.340 0.001 0.000 0.212 313 L C 2.145 179.131 176.870 0.194 0.000 1.075 313 L CA 2.543 57.462 54.840 0.131 0.000 0.752 313 L CB -1.312 40.834 42.059 0.145 0.000 0.891 313 L HN 0.365 nan 8.230 nan 0.000 0.432 314 G N -0.926 108.116 108.800 0.404 0.000 2.432 314 G HA2 -0.231 3.730 3.960 0.001 0.000 0.219 314 G HA3 -0.231 3.730 3.960 0.001 0.000 0.219 314 G C 1.680 176.712 174.900 0.219 0.000 1.135 314 G CA 0.524 45.866 45.100 0.404 0.000 0.767 314 G HN 0.324 nan 8.290 nan 0.000 0.550 315 R N -0.362 120.251 120.500 0.188 0.000 2.093 315 R HA 0.184 4.524 4.340 0.001 0.000 0.224 315 R C 2.585 178.937 176.300 0.088 0.000 1.101 315 R CA 0.608 56.785 56.100 0.127 0.000 0.979 315 R CB -0.461 29.904 30.300 0.107 0.000 0.877 315 R HN 0.412 nan 8.270 nan 0.000 0.441 316 M N 0.310 119.951 119.600 0.068 0.000 2.319 316 M HA -0.092 4.389 4.480 0.001 0.000 0.265 316 M C 1.856 178.165 176.300 0.015 0.000 1.068 316 M CA 1.489 56.811 55.300 0.036 0.000 1.118 316 M CB -0.043 32.571 32.600 0.023 0.000 1.395 316 M HN -0.001 nan 8.290 nan 0.000 0.435 317 K N -0.052 120.338 120.400 -0.016 0.000 2.167 317 K HA -0.076 4.245 4.320 0.001 0.000 0.203 317 K C 1.159 177.843 176.600 0.140 0.000 1.052 317 K CA 0.793 57.031 56.287 -0.082 0.000 0.956 317 K CB -0.010 32.190 32.500 -0.500 0.000 0.735 317 K HN 0.196 nan 8.250 nan 0.000 0.451 318 D N 1.251 121.765 120.400 0.190 0.000 2.310 318 D HA -0.092 4.549 4.640 0.001 0.000 0.212 318 D C 0.674 177.031 176.300 0.094 0.000 0.965 318 D CA 1.085 55.186 54.000 0.168 0.000 0.879 318 D CB 0.192 41.063 40.800 0.119 0.000 0.921 318 D HN 0.294 nan 8.370 nan 0.000 0.510 319 E N -0.900 119.345 120.200 0.075 0.000 2.548 319 E HA 0.279 4.630 4.350 0.001 0.000 0.206 319 E C 1.031 177.658 176.600 0.046 0.000 1.005 319 E CA -0.020 56.410 56.400 0.051 0.000 0.951 319 E CB 0.826 30.550 29.700 0.041 0.000 1.035 319 E HN 0.091 nan 8.360 nan 0.000 0.470 320 G N 2.126 110.959 108.800 0.054 0.000 2.269 320 G HA2 -0.380 3.580 3.960 0.001 0.000 0.277 320 G HA3 -0.380 3.580 3.960 0.001 0.000 0.277 320 G C 1.025 175.939 174.900 0.024 0.000 1.008 320 G CA 1.203 46.328 45.100 0.041 0.000 0.774 320 G HN 0.433 nan 8.290 nan 0.000 0.511 321 T N -3.415 111.151 114.554 0.019 0.000 3.107 321 T HA 0.612 4.963 4.350 0.001 0.000 0.249 321 T C 1.031 175.733 174.700 0.004 0.000 1.096 321 T CA 1.002 63.110 62.100 0.014 0.000 1.012 321 T CB 0.795 69.673 68.868 0.017 0.000 0.977 321 T HN 1.489 nan 8.240 nan 0.000 0.527 322 A N 1.470 124.285 122.820 -0.009 0.000 2.253 322 A HA 0.822 5.143 4.320 0.001 0.000 0.316 322 A C 0.639 178.209 177.584 -0.023 0.000 1.327 322 A CA -0.758 51.265 52.037 -0.022 0.000 0.917 322 A CB -0.050 18.920 19.000 -0.050 0.000 1.162 322 A HN 0.638 nan 8.150 nan 0.000 0.535 323 A N 2.215 125.028 122.820 -0.011 0.000 2.425 323 A HA 0.401 4.722 4.320 0.001 0.000 0.242 323 A C 1.287 178.861 177.584 -0.016 0.000 1.077 323 A CA -0.078 51.955 52.037 -0.007 0.000 0.781 323 A CB 0.192 19.192 19.000 -0.001 0.000 1.020 323 A HN 1.150 nan 8.150 nan 0.000 0.494 324 V N 1.185 121.092 119.914 -0.012 0.000 2.626 324 V HA -0.153 3.967 4.120 0.001 0.000 0.252 324 V C 2.225 178.304 176.094 -0.025 0.000 1.067 324 V CA 2.415 64.702 62.300 -0.021 0.000 1.081 324 V CB -0.966 30.848 31.823 -0.014 0.000 0.686 324 V HN 0.975 nan 8.190 nan 0.000 0.468 325 E N 0.111 120.301 120.200 -0.017 0.000 2.204 325 E HA -0.141 4.209 4.350 0.001 0.000 0.194 325 E C 1.944 178.532 176.600 -0.021 0.000 0.989 325 E CA 1.045 57.437 56.400 -0.013 0.000 0.824 325 E CB -0.301 29.395 29.700 -0.007 0.000 0.756 325 E HN 0.598 nan 8.360 nan 0.000 0.477 326 I N 0.514 121.070 120.570 -0.023 0.000 2.179 326 I HA -0.299 3.872 4.170 0.001 0.000 0.242 326 I C 2.036 178.127 176.117 -0.043 0.000 1.088 326 I CA 1.402 62.685 61.300 -0.028 0.000 1.357 326 I CB -0.674 37.315 38.000 -0.019 0.000 1.051 326 I HN 0.088 nan 8.210 nan 0.000 0.409 327 T N 0.061 114.593 114.554 -0.037 0.000 2.721 327 T HA -0.217 4.133 4.350 0.001 0.000 0.268 327 T C 2.122 176.733 174.700 -0.148 0.000 1.038 327 T CA 1.919 63.988 62.100 -0.052 0.000 1.145 327 T CB -0.304 68.548 68.868 -0.027 0.000 0.858 327 T HN 0.283 nan 8.240 nan 0.000 0.459 328 S N 0.592 116.210 115.700 -0.136 0.000 2.382 328 S HA 0.011 4.481 4.470 0.001 0.000 0.228 328 S C 1.982 176.470 174.600 -0.186 0.000 1.027 328 S CA 0.732 58.804 58.200 -0.213 0.000 0.991 328 S CB -0.382 62.853 63.200 0.058 0.000 0.823 328 S HN 0.434 nan 8.310 nan 0.000 0.469 329 I N 1.015 121.521 120.570 -0.106 0.000 2.113 329 I HA -0.214 3.956 4.170 0.001 0.000 0.238 329 I C 2.345 178.385 176.117 -0.127 0.000 1.070 329 I CA 1.041 62.287 61.300 -0.091 0.000 1.332 329 I CB -0.286 37.675 38.000 -0.065 0.000 1.044 329 I HN 0.289 nan 8.210 nan 0.000 0.402 330 M N 0.224 119.740 119.600 -0.140 0.000 2.132 330 M HA -0.170 4.311 4.480 0.001 0.000 0.263 330 M C 2.208 178.388 176.300 -0.200 0.000 1.065 330 M CA 1.579 56.777 55.300 -0.170 0.000 1.122 330 M CB -1.293 31.206 32.600 -0.168 0.000 1.365 330 M HN 0.120 nan 8.290 nan 0.000 0.411 331 K N 0.369 120.629 120.400 -0.233 0.000 2.057 331 K HA -0.156 4.165 4.320 0.001 0.000 0.207 331 K C 2.214 178.684 176.600 -0.217 0.000 1.049 331 K CA 1.296 57.431 56.287 -0.253 0.000 0.931 331 K CB -0.237 32.054 32.500 -0.348 0.000 0.714 331 K HN 0.268 nan 8.250 nan 0.000 0.440 332 R N 0.593 120.953 120.500 -0.232 0.000 2.073 332 R HA -0.156 4.185 4.340 0.001 0.000 0.234 332 R C 2.129 178.378 176.300 -0.086 0.000 1.134 332 R CA 1.966 58.002 56.100 -0.107 0.000 0.952 332 R CB -0.295 29.974 30.300 -0.051 0.000 0.850 332 R HN 0.205 nan 8.270 nan 0.000 0.433 333 N N -0.121 118.516 118.700 -0.106 0.000 2.058 333 N HA -0.126 4.615 4.740 0.001 0.000 0.191 333 N C 1.633 177.075 175.510 -0.113 0.000 1.037 333 N CA 2.193 55.181 53.050 -0.102 0.000 0.848 333 N CB -0.148 38.271 38.487 -0.113 0.000 1.021 333 N HN 0.046 nan 8.380 nan 0.000 0.422 334 S N -0.696 114.920 115.700 -0.140 0.000 2.353 334 S HA -0.167 4.304 4.470 0.001 0.000 0.222 334 S C 2.260 176.796 174.600 -0.107 0.000 1.035 334 S CA 1.324 59.437 58.200 -0.145 0.000 1.025 334 S CB -0.656 62.434 63.200 -0.183 0.000 0.902 334 S HN 0.553 nan 8.310 nan 0.000 0.440 335 C N 1.209 120.455 119.300 -0.090 0.000 2.453 335 C HA 0.034 4.495 4.460 0.001 0.000 0.277 335 C C 2.949 177.910 174.990 -0.049 0.000 1.262 335 C CA 0.342 59.325 59.018 -0.058 0.000 1.718 335 C CB -1.818 25.901 27.740 -0.036 0.000 2.031 335 C HN 0.729 nan 8.230 nan 0.000 0.480 336 G N 1.061 109.831 108.800 -0.049 0.000 2.514 336 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 336 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 336 G C 1.653 176.521 174.900 -0.054 0.000 1.198 336 G CA 0.948 46.022 45.100 -0.043 0.000 0.780 336 G HN 0.444 nan 8.290 nan 0.000 0.565 337 K N 1.035 121.393 120.400 -0.070 0.000 2.097 337 K HA 0.046 4.367 4.320 0.001 0.000 0.206 337 K C 2.855 179.407 176.600 -0.081 0.000 1.049 337 K CA 1.165 57.404 56.287 -0.081 0.000 0.933 337 K CB -0.848 31.592 32.500 -0.099 0.000 0.717 337 K HN 0.296 nan 8.250 nan 0.000 0.442 338 A N 1.569 124.342 122.820 -0.078 0.000 1.877 338 A HA -0.158 4.162 4.320 0.001 0.000 0.216 338 A C 2.241 179.789 177.584 -0.059 0.000 1.186 338 A CA 1.320 53.313 52.037 -0.074 0.000 0.620 338 A CB -0.609 18.348 19.000 -0.072 0.000 0.822 338 A HN 0.216 nan 8.150 nan 0.000 0.443 339 L N 0.301 121.495 121.223 -0.048 0.000 2.017 339 L HA -0.182 4.158 4.340 0.001 0.000 0.208 339 L C 1.688 178.535 176.870 -0.039 0.000 1.073 339 L CA 2.602 57.420 54.840 -0.036 0.000 0.745 339 L CB -0.805 41.238 42.059 -0.026 0.000 0.894 339 L HN 0.366 nan 8.230 nan 0.000 0.432 340 D N -0.257 120.117 120.400 -0.045 0.000 2.133 340 D HA -0.234 4.407 4.640 0.001 0.000 0.195 340 D C 2.331 178.600 176.300 -0.051 0.000 0.997 340 D CA 2.001 55.973 54.000 -0.046 0.000 0.840 340 D CB -0.213 40.556 40.800 -0.052 0.000 0.947 340 D HN 0.447 nan 8.370 nan 0.000 0.452 341 I N 1.023 121.557 120.570 -0.060 0.000 2.252 341 I HA -0.236 3.935 4.170 0.001 0.000 0.245 341 I C 2.475 178.565 176.117 -0.045 0.000 1.102 341 I CA 0.976 62.241 61.300 -0.059 0.000 1.385 341 I CB -0.145 37.812 38.000 -0.071 0.000 1.064 341 I HN -0.077 nan 8.210 nan 0.000 0.414 342 A N 0.767 123.558 122.820 -0.049 0.000 1.908 342 A HA -0.232 4.089 4.320 0.001 0.000 0.218 342 A C 2.388 179.940 177.584 -0.053 0.000 1.181 342 A CA 1.663 53.671 52.037 -0.049 0.000 0.627 342 A CB -0.577 18.401 19.000 -0.036 0.000 0.818 342 A HN 0.317 nan 8.150 nan 0.000 0.445 343 R N -1.371 119.102 120.500 -0.045 0.000 2.066 343 R HA -0.059 4.281 4.340 0.001 0.000 0.232 343 R C 2.034 178.305 176.300 -0.048 0.000 1.131 343 R CA 1.201 57.276 56.100 -0.043 0.000 0.955 343 R CB -0.555 29.726 30.300 -0.032 0.000 0.851 343 R HN 0.400 nan 8.270 nan 0.000 0.432 344 L N 0.784 121.981 121.223 -0.044 0.000 1.990 344 L HA -0.221 4.119 4.340 0.001 0.000 0.213 344 L C 2.392 179.234 176.870 -0.047 0.000 1.072 344 L CA 2.150 56.967 54.840 -0.039 0.000 0.755 344 L CB -0.958 41.079 42.059 -0.036 0.000 0.889 344 L HN 0.201 nan 8.230 nan 0.000 0.432 345 A N -1.123 121.665 122.820 -0.053 0.000 1.902 345 A HA -0.243 4.078 4.320 0.001 0.000 0.217 345 A C 2.415 179.899 177.584 -0.167 0.000 1.181 345 A CA 1.724 53.712 52.037 -0.081 0.000 0.623 345 A CB -0.503 18.462 19.000 -0.059 0.000 0.818 345 A HN 0.381 nan 8.150 nan 0.000 0.443 346 R N 0.685 121.087 120.500 -0.162 0.000 2.083 346 R HA -0.141 4.200 4.340 0.001 0.000 0.237 346 R C 1.115 177.309 176.300 -0.176 0.000 1.137 346 R CA 2.222 58.194 56.100 -0.212 0.000 0.951 346 R CB -0.814 29.406 30.300 -0.133 0.000 0.851 346 R HN 0.450 nan 8.270 nan 0.000 0.434 347 D N -0.402 119.936 120.400 -0.103 0.000 2.310 347 D HA -0.097 4.544 4.640 0.001 0.000 0.212 347 D C 1.593 177.855 176.300 -0.064 0.000 0.965 347 D CA 1.091 55.053 54.000 -0.063 0.000 0.879 347 D CB -0.065 40.714 40.800 -0.035 0.000 0.921 347 D HN 0.345 nan 8.370 nan 0.000 0.510 348 M N -0.256 119.287 119.600 -0.095 0.000 2.506 348 M HA 0.060 4.541 4.480 0.001 0.000 0.260 348 M C 0.401 176.615 176.300 -0.144 0.000 1.104 348 M CA 0.421 55.677 55.300 -0.074 0.000 1.112 348 M CB 0.360 32.932 32.600 -0.046 0.000 1.401 348 M HN -0.122 nan 8.290 nan 0.000 0.473 349 L N -0.236 120.800 121.223 -0.313 0.000 2.375 349 L HA 0.506 4.847 4.340 0.001 0.000 0.271 349 L C 0.605 177.407 176.870 -0.113 0.000 1.107 349 L CA -0.851 53.686 54.840 -0.504 0.000 0.806 349 L CB 0.766 42.333 42.059 -0.820 0.000 1.146 349 L HN 0.040 nan 8.230 nan 0.000 0.447 350 G N -0.237 108.600 108.800 0.062 0.000 2.597 350 G HA2 0.676 4.637 3.960 0.001 0.000 0.317 350 G HA3 0.676 4.637 3.960 0.001 0.000 0.317 350 G C -0.155 174.927 174.900 0.304 0.000 1.230 350 G CA -0.102 45.117 45.100 0.199 0.000 0.996 350 G HN 0.978 nan 8.290 nan 0.000 0.490 351 G N 0.003 108.909 108.800 0.178 0.000 2.632 351 G HA2 0.172 4.132 3.960 0.001 0.000 0.224 351 G HA3 0.172 4.132 3.960 0.001 0.000 0.224 351 G C -0.439 174.380 174.900 -0.135 0.000 1.341 351 G CA 0.222 45.345 45.100 0.039 0.000 0.880 351 G HN 1.758 nan 8.290 nan 0.000 0.566 352 N N 0.129 118.461 118.700 -0.612 0.000 3.112 352 N HA 0.603 5.344 4.740 0.001 0.000 0.231 352 N C 0.690 175.669 175.510 -0.885 0.000 1.385 352 N CA 1.479 54.075 53.050 -0.757 0.000 0.790 352 N CB 0.391 38.722 38.487 -0.260 0.000 1.563 352 N HN 2.469 nan 8.380 nan 0.000 0.613 353 G N 2.050 109.993 108.800 -1.429 0.000 2.189 353 G HA2 -0.302 3.659 3.960 0.001 0.000 0.267 353 G HA3 -0.302 3.659 3.960 0.001 0.000 0.267 353 G C 0.628 175.357 174.900 -0.286 0.000 0.975 353 G CA 0.834 45.567 45.100 -0.612 0.000 0.644 353 G HN 0.521 nan 8.290 nan 0.000 0.537 354 I N 0.648 121.050 120.570 -0.281 0.000 4.323 354 I HA 0.317 4.488 4.170 0.001 0.000 0.328 354 I C 1.418 177.532 176.117 -0.004 0.000 1.310 354 I CA 0.552 61.794 61.300 -0.096 0.000 1.186 354 I CB 0.939 38.889 38.000 -0.082 0.000 1.130 354 I HN 0.115 nan 8.210 nan 0.000 0.411 355 S N 0.321 116.054 115.700 0.055 0.000 2.693 355 S HA 0.111 4.582 4.470 0.001 0.000 0.276 355 S C 0.703 175.401 174.600 0.163 0.000 1.192 355 S CA -0.473 57.809 58.200 0.136 0.000 0.994 355 S CB 1.164 64.492 63.200 0.214 0.000 1.012 355 S HN 0.150 nan 8.310 nan 0.000 0.550 356 D N 1.478 121.954 120.400 0.126 0.000 2.149 356 D HA -0.150 4.490 4.640 0.001 0.000 0.198 356 D C 2.000 178.362 176.300 0.104 0.000 0.990 356 D CA 1.168 55.227 54.000 0.098 0.000 0.839 356 D CB -0.079 40.767 40.800 0.078 0.000 0.948 356 D HN 0.686 nan 8.370 nan 0.000 0.460 357 E N 0.497 120.776 120.200 0.131 0.000 2.209 357 E HA -0.211 4.140 4.350 0.001 0.000 0.196 357 E C 1.196 177.753 176.600 -0.072 0.000 0.993 357 E CA 0.718 57.142 56.400 0.039 0.000 0.819 357 E CB -0.738 28.980 29.700 0.031 0.000 0.745 357 E HN 0.366 nan 8.360 nan 0.000 0.477 358 F N 1.801 121.726 119.950 -0.042 0.000 2.795 358 F HA 0.189 4.717 4.527 0.001 0.000 0.303 358 F C 2.182 177.932 175.800 -0.082 0.000 1.186 358 F CA 0.385 58.348 58.000 -0.062 0.000 1.415 358 F CB 0.110 39.079 39.000 -0.051 0.000 1.106 358 F HN 0.110 nan 8.300 nan 0.000 0.558 359 G N -0.300 108.509 108.800 0.015 0.000 2.448 359 G HA2 -0.189 3.771 3.960 0.001 0.000 0.219 359 G HA3 -0.189 3.771 3.960 0.001 0.000 0.219 359 G C 1.807 176.669 174.900 -0.063 0.000 1.127 359 G CA 0.849 45.904 45.100 -0.075 0.000 0.766 359 G HN 0.258 nan 8.290 nan 0.000 0.552 360 V N 1.480 121.368 119.914 -0.044 0.000 2.324 360 V HA -0.222 3.898 4.120 0.001 0.000 0.250 360 V C 3.303 179.346 176.094 -0.085 0.000 1.060 360 V CA 2.129 64.399 62.300 -0.051 0.000 1.042 360 V CB -0.789 30.914 31.823 -0.200 0.000 0.650 360 V HN 0.478 nan 8.190 nan 0.000 0.450 361 A N -0.509 122.236 122.820 -0.125 0.000 1.969 361 A HA -0.226 4.095 4.320 0.001 0.000 0.218 361 A C 2.403 179.907 177.584 -0.132 0.000 1.169 361 A CA 1.883 53.879 52.037 -0.067 0.000 0.635 361 A CB -0.510 18.535 19.000 0.074 0.000 0.810 361 A HN 0.500 nan 8.150 nan 0.000 0.445 362 R N -1.196 119.122 120.500 -0.303 0.000 2.062 362 R HA -0.158 4.183 4.340 0.001 0.000 0.231 362 R C 2.057 178.080 176.300 -0.461 0.000 1.136 362 R CA 1.835 57.522 56.100 -0.688 0.000 0.948 362 R CB -0.476 29.240 30.300 -0.973 0.000 0.845 362 R HN 0.719 nan 8.270 nan 0.000 0.430 363 H N -0.007 118.901 119.070 -0.270 0.000 2.353 363 H HA -0.199 4.358 4.556 0.001 0.000 0.298 363 H C 1.952 177.208 175.328 -0.120 0.000 1.103 363 H CA 1.724 57.669 56.048 -0.170 0.000 1.293 363 H CB -0.058 29.627 29.762 -0.129 0.000 1.372 363 H HN 0.131 nan 8.280 nan 0.000 0.501 364 L N 0.953 122.186 121.223 0.016 0.000 1.971 364 L HA -0.181 4.160 4.340 0.001 0.000 0.215 364 L C 2.439 179.311 176.870 0.003 0.000 1.072 364 L CA 1.842 56.680 54.840 -0.003 0.000 0.758 364 L CB -0.841 41.206 42.059 -0.021 0.000 0.889 364 L HN 0.324 nan 8.230 nan 0.000 0.433 365 V N -2.916 117.003 119.914 0.008 0.000 2.667 365 V HA -0.184 3.937 4.120 0.001 0.000 0.252 365 V C 2.116 178.248 176.094 0.063 0.000 1.065 365 V CA 1.921 64.255 62.300 0.057 0.000 1.083 365 V CB -1.412 30.491 31.823 0.133 0.000 0.692 365 V HN 0.573 nan 8.190 nan 0.000 0.468 366 N N 1.010 119.732 118.700 0.037 0.000 2.043 366 N HA -0.088 4.652 4.740 0.001 0.000 0.193 366 N C 1.802 177.321 175.510 0.015 0.000 1.037 366 N CA 1.833 54.903 53.050 0.033 0.000 0.851 366 N CB -0.345 38.137 38.487 -0.008 0.000 1.027 366 N HN 0.426 nan 8.380 nan 0.000 0.422 367 L N 1.012 122.243 121.223 0.013 0.000 2.275 367 L HA -0.097 4.244 4.340 0.001 0.000 0.215 367 L C 1.991 178.862 176.870 0.003 0.000 1.119 367 L CA 0.872 55.714 54.840 0.004 0.000 0.790 367 L CB -0.201 41.857 42.059 -0.001 0.000 0.919 367 L HN 0.214 nan 8.230 nan 0.000 0.443 368 E N -0.450 119.754 120.200 0.007 0.000 2.072 368 E HA -0.163 4.187 4.350 0.001 0.000 0.191 368 E C 2.266 178.868 176.600 0.003 0.000 0.985 368 E CA 1.124 57.527 56.400 0.006 0.000 0.801 368 E CB 0.027 29.734 29.700 0.010 0.000 0.750 368 E HN 0.236 nan 8.360 nan 0.000 0.452 369 V N 0.768 120.681 119.914 -0.001 0.000 2.223 369 V HA -0.267 3.853 4.120 0.001 0.000 0.244 369 V C 2.348 178.448 176.094 0.011 0.000 1.045 369 V CA 1.550 63.840 62.300 -0.016 0.000 1.000 369 V CB -0.569 31.226 31.823 -0.045 0.000 0.635 369 V HN 0.141 nan 8.190 nan 0.000 0.445 370 V N 0.615 120.527 119.914 -0.003 0.000 2.278 370 V HA -0.339 3.782 4.120 0.001 0.000 0.251 370 V C 2.304 178.431 176.094 0.055 0.000 1.062 370 V CA 2.624 64.932 62.300 0.014 0.000 1.038 370 V CB -1.072 30.746 31.823 -0.008 0.000 0.646 370 V HN 0.621 nan 8.190 nan 0.000 0.447 371 N N 0.019 118.738 118.700 0.031 0.000 2.381 371 N HA -0.118 4.622 4.740 0.001 0.000 0.182 371 N C 1.479 177.014 175.510 0.042 0.000 1.025 371 N CA 1.584 54.652 53.050 0.031 0.000 0.888 371 N CB -0.051 38.441 38.487 0.009 0.000 0.965 371 N HN 0.717 nan 8.380 nan 0.000 0.438 372 T N -4.184 110.397 114.554 0.045 0.000 3.084 372 T HA 0.062 4.413 4.350 0.001 0.000 0.270 372 T C 1.350 176.071 174.700 0.036 0.000 1.008 372 T CA -0.481 61.634 62.100 0.025 0.000 0.900 372 T CB -0.553 68.313 68.868 -0.003 0.000 1.084 372 T HN 0.101 nan 8.240 nan 0.000 0.538 373 Y N 2.783 123.050 120.300 -0.054 0.000 2.274 373 Y HA 0.117 4.667 4.550 0.001 0.000 0.290 373 Y C 0.935 176.812 175.900 -0.038 0.000 1.145 373 Y CA 0.710 58.769 58.100 -0.068 0.000 1.203 373 Y CB -0.046 38.389 38.460 -0.042 0.000 0.984 373 Y HN 0.397 nan 8.280 nan 0.000 0.533 379 I N 1.415 121.886 120.570 -0.165 0.000 2.300 379 I HA -0.263 3.908 4.170 0.001 0.000 0.252 379 I C 2.109 178.026 176.117 -0.333 0.000 1.119 379 I CA 1.549 62.676 61.300 -0.289 0.000 1.384 379 I CB -0.078 37.671 38.000 -0.418 0.000 1.062 379 I HN 0.480 nan 8.210 nan 0.000 0.426 380 H N -1.021 118.024 119.070 -0.043 0.000 2.465 380 H HA 0.261 4.818 4.556 0.001 0.000 0.289 380 H C 2.262 177.566 175.328 -0.040 0.000 1.022 380 H CA 0.999 57.019 56.048 -0.046 0.000 1.340 380 H CB -0.313 29.421 29.762 -0.047 0.000 1.437 380 H HN 0.333 nan 8.280 nan 0.000 0.539 381 A N 1.588 124.444 122.820 0.060 0.000 1.940 381 A HA -0.109 4.212 4.320 0.001 0.000 0.219 381 A C 2.563 180.148 177.584 0.003 0.000 1.176 381 A CA 1.061 53.111 52.037 0.022 0.000 0.631 381 A CB -0.780 18.225 19.000 0.007 0.000 0.814 381 A HN 0.236 nan 8.150 nan 0.000 0.446 382 L N -0.881 120.332 121.223 -0.016 0.000 2.044 382 L HA -0.108 4.233 4.340 0.001 0.000 0.205 382 L C 2.480 179.339 176.870 -0.019 0.000 1.075 382 L CA 1.079 55.906 54.840 -0.023 0.000 0.747 382 L CB -0.604 41.432 42.059 -0.038 0.000 0.903 382 L HN 0.331 nan 8.230 nan 0.000 0.435 383 I N 0.173 120.728 120.570 -0.026 0.000 2.185 383 I HA -0.362 3.808 4.170 0.001 0.000 0.246 383 I C 2.416 178.533 176.117 0.001 0.000 1.088 383 I CA 1.643 62.935 61.300 -0.014 0.000 1.347 383 I CB -0.206 37.789 38.000 -0.008 0.000 1.041 383 I HN 0.251 nan 8.210 nan 0.000 0.415 384 L N -0.309 120.920 121.223 0.010 0.000 2.131 384 L HA -0.010 4.330 4.340 0.001 0.000 0.206 384 L C 2.702 179.572 176.870 0.000 0.000 1.087 384 L CA 1.174 56.017 54.840 0.006 0.000 0.767 384 L CB -1.107 40.957 42.059 0.008 0.000 0.917 384 L HN 0.271 nan 8.230 nan 0.000 0.441 385 G N 0.146 108.945 108.800 -0.001 0.000 2.440 385 G HA2 -0.307 3.654 3.960 0.001 0.000 0.218 385 G HA3 -0.307 3.654 3.960 0.001 0.000 0.218 385 G C 1.764 176.662 174.900 -0.003 0.000 1.154 385 G CA 0.845 45.943 45.100 -0.004 0.000 0.767 385 G HN 0.264 nan 8.290 nan 0.000 0.552 386 R N 0.504 121.003 120.500 -0.003 0.000 2.090 386 R HA 0.137 4.478 4.340 0.001 0.000 0.228 386 R C 2.807 179.108 176.300 0.002 0.000 1.110 386 R CA 1.273 57.373 56.100 -0.000 0.000 0.973 386 R CB -0.367 29.933 30.300 0.000 0.000 0.869 386 R HN 0.261 nan 8.270 nan 0.000 0.440 387 A N 0.591 123.412 122.820 0.002 0.000 2.019 387 A HA -0.171 4.149 4.320 0.001 0.000 0.219 387 A C 1.910 179.494 177.584 0.001 0.000 1.164 387 A CA 1.234 53.273 52.037 0.002 0.000 0.644 387 A CB -0.242 18.759 19.000 0.002 0.000 0.805 387 A HN 0.498 nan 8.150 nan 0.000 0.449 388 Q N -1.319 118.481 119.800 -0.000 0.000 2.204 388 Q HA -0.056 4.285 4.340 0.001 0.000 0.198 388 Q C 2.064 178.063 176.000 -0.001 0.000 0.946 388 Q CA 1.616 57.418 55.803 -0.001 0.000 0.859 388 Q CB 0.048 28.784 28.738 -0.003 0.000 0.946 388 Q HN 0.841 nan 8.270 nan 0.000 0.474 389 T N -4.796 109.757 114.554 -0.000 0.000 2.990 389 T HA 0.326 4.676 4.350 0.001 0.000 0.250 389 T C 1.484 176.185 174.700 0.001 0.000 1.041 389 T CA 0.606 62.706 62.100 -0.000 0.000 1.010 389 T CB 0.862 69.729 68.868 -0.001 0.000 1.003 389 T HN 0.385 nan 8.240 nan 0.000 0.499 390 G N 1.830 110.631 108.800 0.003 0.000 2.347 390 G HA2 -0.242 3.719 3.960 0.001 0.000 0.247 390 G HA3 -0.242 3.719 3.960 0.001 0.000 0.247 390 G C 0.080 174.983 174.900 0.004 0.000 1.037 390 G CA 0.135 45.237 45.100 0.004 0.000 0.622 390 G HN 0.656 nan 8.290 nan 0.000 0.521 391 I N 1.704 122.275 120.570 0.003 0.000 2.529 391 I HA 0.309 4.479 4.170 0.001 0.000 0.284 391 I C 0.816 176.934 176.117 0.001 0.000 1.082 391 I CA -0.121 61.180 61.300 0.002 0.000 1.406 391 I CB 1.339 39.340 38.000 0.001 0.000 1.405 391 I HN 0.237 nan 8.210 nan 0.000 0.548 392 Q N 4.456 124.257 119.800 0.002 0.000 2.230 392 Q HA 0.621 4.962 4.340 0.001 0.000 0.253 392 Q C -0.492 175.507 176.000 -0.002 0.000 0.919 392 Q CA -0.712 55.091 55.803 0.001 0.000 0.908 392 Q CB 1.822 30.562 28.738 0.003 0.000 1.245 392 Q HN 0.814 nan 8.270 nan 0.000 0.437 393 A N 0.000 122.817 122.820 -0.005 0.000 2.254 393 A HA 0.000 4.321 4.320 0.001 0.000 0.244 393 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 393 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486