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 3p6o_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENAAPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.492 175.510 -0.030 0.000 1.280 10 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 10 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 11 L N 1.620 122.827 121.223 -0.027 0.000 2.264 11 L HA 0.599 4.946 4.340 0.011 0.000 0.287 11 L C 1.086 177.957 176.870 0.002 0.000 1.039 11 L CA -0.630 54.197 54.840 -0.022 0.000 0.829 11 L CB 1.119 43.161 42.059 -0.028 0.000 1.211 11 L HN 0.366 nan 8.230 nan 0.000 0.427 12 A N 5.365 128.195 122.820 0.017 0.000 2.531 12 A HA 0.347 4.673 4.320 0.011 0.000 0.236 12 A C -2.108 175.514 177.584 0.063 0.000 1.062 12 A CA -0.810 51.255 52.037 0.046 0.000 0.760 12 A CB -0.574 18.467 19.000 0.069 0.000 0.995 12 A HN 0.476 nan 8.150 nan 0.000 0.501 13 P HA 0.090 nan 4.420 nan 0.000 0.262 13 P C -0.346 176.971 177.300 0.029 0.000 1.182 13 P CA -0.120 62.997 63.100 0.027 0.000 0.761 13 P CB 0.219 31.930 31.700 0.018 0.000 0.795 14 L N 7.173 128.384 121.223 -0.019 0.000 2.477 14 L HA 0.263 4.610 4.340 0.011 0.000 0.272 14 L C -2.107 174.638 176.870 -0.208 0.000 1.157 14 L CA -1.565 53.199 54.840 -0.126 0.000 0.889 14 L CB -0.601 41.366 42.059 -0.153 0.000 1.158 14 L HN 0.298 nan 8.230 nan 0.000 0.473 15 P HA 0.131 nan 4.420 nan 0.000 0.267 15 P C -2.143 174.998 177.300 -0.266 0.000 1.200 15 P CA -0.918 62.031 63.100 -0.250 0.000 0.772 15 P CB 0.086 31.606 31.700 -0.300 0.000 0.855 16 P HA -0.210 nan 4.420 nan 0.000 0.217 16 P C 1.269 178.532 177.300 -0.061 0.000 1.148 16 P CA 1.498 64.562 63.100 -0.060 0.000 0.828 16 P CB -0.441 31.263 31.700 0.006 0.000 0.783 17 H N -1.735 117.268 119.070 -0.111 0.000 2.547 17 H HA 0.070 4.633 4.556 0.010 0.000 0.272 17 H C 0.010 175.292 175.328 -0.077 0.000 0.989 17 H CA 0.378 56.388 56.048 -0.065 0.000 1.214 17 H CB -0.764 28.987 29.762 -0.017 0.000 1.389 17 H HN -0.072 nan 8.280 nan 0.000 0.577 18 V N 5.582 125.063 119.914 -0.721 0.000 2.385 18 V HA 0.203 4.329 4.120 0.011 0.000 0.269 18 V C -1.878 174.017 176.094 -0.332 0.000 1.043 18 V CA -1.529 60.386 62.300 -0.642 0.000 0.906 18 V CB 1.382 32.425 31.823 -1.299 0.000 0.995 18 V HN 0.274 nan 8.190 nan 0.000 0.467 19 P HA 0.233 nan 4.420 nan 0.000 0.275 19 P C 0.435 177.667 177.300 -0.113 0.000 1.228 19 P CA -0.279 62.779 63.100 -0.071 0.000 0.786 19 P CB 1.617 33.343 31.700 0.043 0.000 0.927 20 E N 0.496 120.685 120.200 -0.019 0.000 2.204 20 E HA -0.209 4.147 4.350 0.011 0.000 0.194 20 E C 1.838 178.456 176.600 0.029 0.000 0.989 20 E CA 0.944 57.338 56.400 -0.010 0.000 0.824 20 E CB -0.376 29.336 29.700 0.019 0.000 0.756 20 E HN 0.566 nan 8.360 nan 0.000 0.477 21 H N -0.226 118.865 119.070 0.035 0.000 2.521 21 H HA -0.059 4.503 4.556 0.010 0.000 0.286 21 H C 1.438 176.822 175.328 0.094 0.000 1.034 21 H CA 0.802 56.883 56.048 0.056 0.000 1.278 21 H CB -0.154 29.634 29.762 0.044 0.000 1.386 21 H HN 0.241 nan 8.280 nan 0.000 0.567 22 L N 1.500 122.519 121.223 -0.341 0.000 2.592 22 L HA 0.160 4.506 4.340 0.011 0.000 0.227 22 L C 0.289 177.214 176.870 0.093 0.000 1.127 22 L CA -0.266 54.506 54.840 -0.114 0.000 0.884 22 L CB 0.525 42.540 42.059 -0.073 0.000 1.065 22 L HN -0.015 nan 8.230 nan 0.000 0.457 23 V N 0.755 120.718 119.914 0.082 0.000 2.508 23 V HA 0.058 4.184 4.120 0.011 0.000 0.281 23 V C -0.561 175.654 176.094 0.202 0.000 1.041 23 V CA 0.229 62.614 62.300 0.141 0.000 1.016 23 V CB 0.933 32.803 31.823 0.078 0.000 0.984 23 V HN 0.084 nan 8.190 nan 0.000 0.478 24 F N 3.748 123.713 119.950 0.026 0.000 2.831 24 F HA 0.395 4.929 4.527 0.011 0.000 0.346 24 F C 0.005 175.795 175.800 -0.017 0.000 1.224 24 F CA -0.750 57.256 58.000 0.010 0.000 1.048 24 F CB 1.482 40.489 39.000 0.012 0.000 1.339 24 F HN 0.498 nan 8.300 nan 0.000 0.514 25 D N 6.512 126.733 120.400 -0.298 0.000 2.801 25 D HA 0.014 4.660 4.640 0.011 0.000 0.232 25 D C -0.228 175.969 176.300 -0.171 0.000 1.128 25 D CA 0.325 54.205 54.000 -0.200 0.000 1.003 25 D CB -0.236 40.445 40.800 -0.199 0.000 1.110 25 D HN 0.269 nan 8.370 nan 0.000 0.477 26 F N 1.767 121.630 119.950 -0.145 0.000 2.456 26 F HA 0.097 4.630 4.527 0.011 0.000 0.358 26 F C 0.524 176.214 175.800 -0.182 0.000 1.095 26 F CA -0.538 57.397 58.000 -0.108 0.000 1.216 26 F CB 0.801 39.813 39.000 0.020 0.000 1.125 26 F HN -0.124 nan 8.300 nan 0.000 0.549 27 D N 7.314 127.227 120.400 -0.812 0.000 2.454 27 D HA 0.100 4.746 4.640 0.011 0.000 0.225 27 D C 0.910 176.678 176.300 -0.885 0.000 1.081 27 D CA -0.449 53.203 54.000 -0.579 0.000 0.864 27 D CB 0.908 41.493 40.800 -0.357 0.000 1.040 27 D HN 0.745 nan 8.370 nan 0.000 0.517 28 M N 2.025 121.298 119.600 -0.545 0.000 2.446 28 M HA -0.098 4.388 4.480 0.011 0.000 0.263 28 M C 0.244 176.319 176.300 -0.376 0.000 1.066 28 M CA 1.221 56.234 55.300 -0.477 0.000 1.087 28 M CB -0.171 32.334 32.600 -0.160 0.000 1.406 28 M HN 0.194 nan 8.290 nan 0.000 0.459 29 Y N 0.199 120.436 120.300 -0.104 0.000 2.497 29 Y HA 0.256 4.813 4.550 0.011 0.000 0.265 29 Y C 0.586 176.448 175.900 -0.064 0.000 1.111 29 Y CA 0.069 58.150 58.100 -0.032 0.000 1.288 29 Y CB 0.387 38.829 38.460 -0.030 0.000 1.082 29 Y HN 0.410 nan 8.280 nan 0.000 0.536 30 N N 0.384 119.053 118.700 -0.051 0.000 2.700 30 N HA 0.173 4.919 4.740 0.011 0.000 0.242 30 N C -3.281 172.099 175.510 -0.217 0.000 1.541 30 N CA -1.853 51.150 53.050 -0.079 0.000 0.764 30 N CB 0.731 39.196 38.487 -0.036 0.000 1.319 30 N HN -0.187 nan 8.380 nan 0.000 0.518 31 P HA 0.157 nan 4.420 nan 0.000 0.271 31 P C -0.099 177.087 177.300 -0.191 0.000 1.218 31 P CA -0.046 62.773 63.100 -0.468 0.000 0.780 31 P CB 0.749 32.144 31.700 -0.509 0.000 0.901 32 S N 1.281 116.888 115.700 -0.155 0.000 2.603 32 S HA 0.161 4.638 4.470 0.011 0.000 0.268 32 S C 0.532 175.135 174.600 0.005 0.000 1.317 32 S CA -0.329 57.835 58.200 -0.060 0.000 1.012 32 S CB -0.289 62.877 63.200 -0.057 0.000 0.926 32 S HN 0.490 nan 8.310 nan 0.000 0.539 33 N N -1.207 117.503 118.700 0.017 0.000 2.863 33 N HA -0.156 4.591 4.740 0.011 0.000 0.245 33 N C 0.361 175.908 175.510 0.063 0.000 1.001 33 N CA 0.872 53.948 53.050 0.043 0.000 0.901 33 N CB -1.782 36.744 38.487 0.064 0.000 1.124 33 N HN 0.612 nan 8.380 nan 0.000 0.582 34 L N 1.120 122.378 121.223 0.059 0.000 2.051 34 L HA -0.194 4.152 4.340 0.011 0.000 0.214 34 L C 2.228 179.139 176.870 0.068 0.000 1.076 34 L CA 2.712 57.609 54.840 0.096 0.000 0.758 34 L CB -0.988 41.123 42.059 0.086 0.000 0.890 34 L HN 0.460 nan 8.230 nan 0.000 0.433 35 S N -0.724 114.996 115.700 0.033 0.000 2.440 35 S HA -0.156 4.320 4.470 0.011 0.000 0.240 35 S C 1.877 176.466 174.600 -0.018 0.000 1.014 35 S CA 0.872 59.073 58.200 0.002 0.000 0.980 35 S CB -0.968 62.234 63.200 0.005 0.000 0.775 35 S HN 0.556 nan 8.310 nan 0.000 0.499 36 A N 0.912 123.739 122.820 0.012 0.000 2.251 36 A HA 0.585 4.912 4.320 0.011 0.000 0.209 36 A C 1.127 178.724 177.584 0.021 0.000 1.187 36 A CA 0.287 52.334 52.037 0.017 0.000 0.823 36 A CB -0.851 18.174 19.000 0.042 0.000 0.846 36 A HN 1.656 nan 8.150 nan 0.000 0.486 37 G N -2.231 106.569 108.800 -0.001 0.000 2.841 37 G HA2 0.103 4.069 3.960 0.011 0.000 0.684 37 G HA3 0.103 4.069 3.960 0.011 0.000 0.684 37 G C 0.345 175.417 174.900 0.287 0.000 1.273 37 G CA -0.172 44.975 45.100 0.079 0.000 0.811 37 G HN 0.859 nan 8.290 nan 0.000 0.631 38 V N 1.722 121.972 119.914 0.561 0.000 2.358 38 V HA -0.119 4.007 4.120 0.011 0.000 0.246 38 V C 2.646 178.966 176.094 0.377 0.000 1.047 38 V CA 3.255 65.837 62.300 0.469 0.000 1.035 38 V CB -0.283 31.827 31.823 0.479 0.000 0.658 38 V HN 0.809 nan 8.190 nan 0.000 0.452 39 Q N 0.164 120.069 119.800 0.176 0.000 2.096 39 Q HA -0.232 4.114 4.340 0.011 0.000 0.204 39 Q C 2.078 178.168 176.000 0.151 0.000 0.982 39 Q CA 2.341 58.182 55.803 0.062 0.000 0.850 39 Q CB -0.329 28.348 28.738 -0.103 0.000 0.901 39 Q HN 0.711 nan 8.270 nan 0.000 0.422 40 E N 0.140 120.432 120.200 0.153 0.000 2.110 40 E HA -0.133 4.223 4.350 0.011 0.000 0.193 40 E C 1.818 178.531 176.600 0.188 0.000 0.988 40 E CA 1.181 57.662 56.400 0.135 0.000 0.804 40 E CB -0.323 29.442 29.700 0.109 0.000 0.745 40 E HN 0.414 nan 8.360 nan 0.000 0.458 41 A N -0.080 122.897 122.820 0.261 0.000 1.902 41 A HA -0.159 4.167 4.320 0.011 0.000 0.217 41 A C 1.692 179.496 177.584 0.367 0.000 1.181 41 A CA 1.208 53.413 52.037 0.280 0.000 0.623 41 A CB -0.898 18.263 19.000 0.269 0.000 0.818 41 A HN 0.361 nan 8.150 nan 0.000 0.443 42 W N -0.390 121.035 121.300 0.208 0.000 2.467 42 W HA 0.164 4.832 4.660 0.012 0.000 0.275 42 W C 2.572 179.048 176.519 -0.072 0.000 1.239 42 W CA 0.903 58.304 57.345 0.093 0.000 1.266 42 W CB -0.220 29.262 29.460 0.037 0.000 1.112 42 W HN 0.359 nan 8.180 nan 0.000 0.576 43 A N -0.245 122.689 122.820 0.191 0.000 2.121 43 A HA -0.093 4.233 4.320 0.011 0.000 0.218 43 A C 1.984 179.576 177.584 0.014 0.000 1.154 43 A CA 1.325 53.400 52.037 0.063 0.000 0.679 43 A CB -0.894 18.134 19.000 0.046 0.000 0.795 43 A HN 0.113 nan 8.150 nan 0.000 0.458 44 V N -0.192 119.754 119.914 0.053 0.000 2.660 44 V HA -0.209 3.917 4.120 0.011 0.000 0.257 44 V C 2.109 178.135 176.094 -0.114 0.000 1.088 44 V CA 1.920 64.248 62.300 0.047 0.000 1.106 44 V CB -0.434 31.501 31.823 0.187 0.000 0.686 44 V HN 0.647 nan 8.190 nan 0.000 0.481 45 L N -0.938 120.143 121.223 -0.236 0.000 2.552 45 L HA -0.022 4.325 4.340 0.011 0.000 0.227 45 L C 2.002 178.693 176.870 -0.298 0.000 1.146 45 L CA 0.876 55.452 54.840 -0.440 0.000 0.858 45 L CB -0.171 41.601 42.059 -0.479 0.000 0.969 45 L HN 0.375 nan 8.230 nan 0.000 0.451 46 Q N -0.640 119.055 119.800 -0.175 0.000 2.179 46 Q HA 0.134 4.480 4.340 0.011 0.000 0.213 46 Q C -0.173 175.770 176.000 -0.094 0.000 0.833 46 Q CA -0.181 55.547 55.803 -0.125 0.000 0.990 46 Q CB 0.711 29.397 28.738 -0.087 0.000 1.132 46 Q HN 0.427 nan 8.270 nan 0.000 0.493 47 E N 0.340 120.483 120.200 -0.095 0.000 2.392 47 E HA -0.002 4.354 4.350 0.011 0.000 0.259 47 E C 0.886 177.451 176.600 -0.058 0.000 1.108 47 E CA 0.282 56.650 56.400 -0.053 0.000 0.916 47 E CB 0.848 30.536 29.700 -0.020 0.000 0.989 47 E HN 0.170 nan 8.360 nan 0.000 0.432 48 S N 1.719 117.400 115.700 -0.032 0.000 2.399 48 S HA -0.198 4.279 4.470 0.011 0.000 0.231 48 S C 1.197 175.784 174.600 -0.022 0.000 1.022 48 S CA 1.323 59.506 58.200 -0.028 0.000 0.983 48 S CB -0.265 62.926 63.200 -0.015 0.000 0.803 48 S HN 0.642 nan 8.310 nan 0.000 0.480 49 N N 1.301 119.996 118.700 -0.009 0.000 2.313 49 N HA 0.096 4.843 4.740 0.011 0.000 0.207 49 N C -0.462 175.048 175.510 0.001 0.000 1.141 49 N CA -0.138 52.918 53.050 0.011 0.000 0.830 49 N CB -0.125 38.384 38.487 0.037 0.000 1.008 49 N HN 0.350 nan 8.380 nan 0.000 0.481 50 V N 1.595 121.469 119.914 -0.066 0.000 2.370 50 V HA 0.389 4.516 4.120 0.011 0.000 0.283 50 V C -2.054 173.976 176.094 -0.107 0.000 1.023 50 V CA -1.670 60.542 62.300 -0.147 0.000 0.857 50 V CB 1.385 32.978 31.823 -0.383 0.000 0.985 50 V HN 0.033 nan 8.190 nan 0.000 0.443 51 P HA 0.127 nan 4.420 nan 0.000 0.270 51 P C 0.332 177.592 177.300 -0.066 0.000 1.227 51 P CA -0.183 62.902 63.100 -0.026 0.000 0.788 51 P CB 0.660 32.381 31.700 0.035 0.000 0.926 52 D N -0.370 119.989 120.400 -0.069 0.000 2.218 52 D HA -0.050 4.596 4.640 0.011 0.000 0.204 52 D C 0.341 176.594 176.300 -0.079 0.000 0.976 52 D CA 1.439 55.375 54.000 -0.107 0.000 0.853 52 D CB -0.126 40.577 40.800 -0.162 0.000 0.939 52 D HN 0.058 nan 8.370 nan 0.000 0.481 53 L N 0.445 121.656 121.223 -0.020 0.000 2.441 53 L HA 0.355 4.701 4.340 0.011 0.000 0.270 53 L C -0.877 176.107 176.870 0.191 0.000 0.973 53 L CA -0.983 53.900 54.840 0.072 0.000 0.842 53 L CB 1.774 43.853 42.059 0.033 0.000 1.239 53 L HN -0.154 nan 8.230 nan 0.000 0.406 54 V N 1.566 121.638 119.914 0.263 0.000 3.046 54 V HA 0.687 4.813 4.120 0.011 0.000 0.316 54 V C -1.262 175.098 176.094 0.443 0.000 1.104 54 V CA -0.776 61.708 62.300 0.306 0.000 1.006 54 V CB 2.128 34.034 31.823 0.138 0.000 1.058 54 V HN 0.921 nan 8.190 nan 0.000 0.440 55 W N 2.046 123.373 121.300 0.045 0.000 2.475 55 W HA 0.644 5.311 4.660 0.010 0.000 0.317 55 W C -0.850 175.545 176.519 -0.206 0.000 1.046 55 W CA -0.221 56.952 57.345 -0.286 0.000 1.215 55 W CB 1.921 30.988 29.460 -0.655 0.000 1.335 55 W HN 0.869 nan 8.180 nan 0.000 0.471 56 T N 5.233 119.315 114.554 -0.787 0.000 2.824 56 T HA 0.365 4.722 4.350 0.011 0.000 0.280 56 T C 1.020 175.221 174.700 -0.833 0.000 0.995 56 T CA -0.431 61.308 62.100 -0.601 0.000 1.009 56 T CB 1.149 69.736 68.868 -0.467 0.000 0.955 56 T HN 0.629 nan 8.240 nan 0.000 0.452 57 R N 1.946 122.259 120.500 -0.311 0.000 2.299 57 R HA 0.181 4.527 4.340 0.011 0.000 0.197 57 R C 0.673 176.881 176.300 -0.154 0.000 0.971 57 R CA -0.130 55.892 56.100 -0.130 0.000 1.030 57 R CB -0.277 30.042 30.300 0.032 0.000 0.932 57 R HN 0.537 nan 8.270 nan 0.000 0.477 58 C N 1.506 120.684 119.300 -0.203 0.000 2.700 58 C HA 0.082 4.548 4.460 0.011 0.000 0.397 58 C C 0.882 175.840 174.990 -0.054 0.000 1.301 58 C CA -0.281 58.666 59.018 -0.118 0.000 2.219 58 C CB -0.158 27.510 27.740 -0.121 0.000 2.699 58 C HN 0.693 nan 8.230 nan 0.000 0.669 59 N N 0.474 119.185 118.700 0.019 0.000 2.735 59 N HA -0.156 4.590 4.740 0.011 0.000 0.248 59 N C 0.699 176.256 175.510 0.080 0.000 1.083 59 N CA 0.892 53.993 53.050 0.085 0.000 0.703 59 N CB -1.180 37.431 38.487 0.206 0.000 1.005 59 N HN 1.366 nan 8.380 nan 0.000 0.550 60 G N -1.821 106.999 108.800 0.034 0.000 2.241 60 G HA2 0.110 4.076 3.960 0.011 0.000 0.244 60 G HA3 0.110 4.076 3.960 0.011 0.000 0.244 60 G C 0.531 175.450 174.900 0.033 0.000 0.998 60 G CA 0.321 45.446 45.100 0.043 0.000 0.621 60 G HN 1.602 nan 8.290 nan 0.000 0.519 61 G N -0.646 108.100 108.800 -0.090 0.000 3.338 61 G HA2 0.578 4.544 3.960 0.011 0.000 0.686 61 G HA3 0.578 4.544 3.960 0.011 0.000 0.686 61 G C -0.551 173.902 174.900 -0.746 0.000 1.053 61 G CA 0.597 45.464 45.100 -0.389 0.000 0.852 61 G HN 2.809 nan 8.290 nan 0.000 0.545 62 H N -1.537 116.573 119.070 -1.600 0.000 3.024 62 H HA 0.653 5.215 4.556 0.010 0.000 0.324 62 H C -0.530 174.120 175.328 -1.130 0.000 1.347 62 H CA -1.639 53.693 56.048 -1.194 0.000 1.182 62 H CB 0.166 29.692 29.762 -0.394 0.000 1.889 62 H HN 0.641 nan 8.280 nan 0.000 0.528 63 W N 1.088 122.304 121.300 -0.140 0.000 2.161 63 W HA 0.561 5.227 4.660 0.011 0.000 0.344 63 W C -0.205 176.388 176.519 0.123 0.000 1.262 63 W CA -0.488 56.918 57.345 0.102 0.000 1.270 63 W CB 0.696 30.325 29.460 0.282 0.000 1.126 63 W HN 0.430 nan 8.180 nan 0.000 0.598 64 I N 2.475 123.254 120.570 0.348 0.000 2.512 64 I HA 0.383 4.559 4.170 0.011 0.000 0.287 64 I C -0.252 175.958 176.117 0.155 0.000 1.069 64 I CA -1.183 60.245 61.300 0.213 0.000 1.056 64 I CB 1.404 39.456 38.000 0.087 0.000 1.229 64 I HN 0.435 nan 8.210 nan 0.000 0.429 65 A N 3.282 126.162 122.820 0.101 0.000 2.320 65 A HA 0.522 4.848 4.320 0.011 0.000 0.287 65 A C 0.879 178.457 177.584 -0.010 0.000 1.181 65 A CA -0.144 51.915 52.037 0.037 0.000 0.831 65 A CB 0.239 19.246 19.000 0.011 0.000 1.102 65 A HN 0.858 nan 8.150 nan 0.000 0.513 66 T N -0.387 114.135 114.554 -0.054 0.000 3.054 66 T HA 0.280 4.636 4.350 0.011 0.000 0.255 66 T C 0.529 175.176 174.700 -0.088 0.000 1.035 66 T CA -0.133 61.913 62.100 -0.090 0.000 0.941 66 T CB 0.082 68.860 68.868 -0.151 0.000 1.026 66 T HN 0.507 nan 8.240 nan 0.000 0.533 67 R N 0.277 120.724 120.500 -0.090 0.000 2.686 67 R HA 0.579 4.926 4.340 0.011 0.000 0.286 67 R C 1.458 177.706 176.300 -0.087 0.000 0.969 67 R CA -0.309 55.733 56.100 -0.096 0.000 0.898 67 R CB 1.289 31.514 30.300 -0.124 0.000 1.183 67 R HN 0.212 nan 8.270 nan 0.000 0.456 68 G N 1.404 110.158 108.800 -0.076 0.000 2.556 68 G HA2 -0.367 3.600 3.960 0.011 0.000 0.220 68 G HA3 -0.367 3.600 3.960 0.011 0.000 0.220 68 G C 1.046 175.895 174.900 -0.084 0.000 1.156 68 G CA 1.118 46.174 45.100 -0.072 0.000 0.766 68 G HN 0.658 nan 8.290 nan 0.000 0.583 69 Q N -0.494 119.250 119.800 -0.094 0.000 2.061 69 Q HA -0.113 4.233 4.340 0.011 0.000 0.204 69 Q C 2.576 178.523 176.000 -0.088 0.000 0.984 69 Q CA 1.406 57.156 55.803 -0.089 0.000 0.846 69 Q CB -0.176 28.502 28.738 -0.101 0.000 0.902 69 Q HN 0.456 nan 8.270 nan 0.000 0.421 70 L N 0.159 121.288 121.223 -0.156 0.000 2.072 70 L HA -0.139 4.207 4.340 0.011 0.000 0.205 70 L C 2.233 179.119 176.870 0.028 0.000 1.079 70 L CA 1.109 55.892 54.840 -0.095 0.000 0.752 70 L CB -0.345 41.593 42.059 -0.201 0.000 0.906 70 L HN 0.266 nan 8.230 nan 0.000 0.436 71 I N -0.751 119.798 120.570 -0.034 0.000 2.127 71 I HA -0.336 3.841 4.170 0.011 0.000 0.241 71 I C 2.688 178.830 176.117 0.041 0.000 1.075 71 I CA 1.356 62.635 61.300 -0.034 0.000 1.334 71 I CB -0.330 37.686 38.000 0.026 0.000 1.040 71 I HN 0.185 nan 8.210 nan 0.000 0.405 72 R N 0.587 121.083 120.500 -0.007 0.000 2.083 72 R HA -0.197 4.149 4.340 0.011 0.000 0.237 72 R C 2.262 178.650 176.300 0.146 0.000 1.137 72 R CA 1.668 57.704 56.100 -0.107 0.000 0.951 72 R CB -0.398 29.685 30.300 -0.361 0.000 0.851 72 R HN 0.439 nan 8.270 nan 0.000 0.434 73 E N 0.268 120.555 120.200 0.146 0.000 2.058 73 E HA -0.207 4.150 4.350 0.011 0.000 0.194 73 E C 2.082 178.810 176.600 0.214 0.000 0.997 73 E CA 1.286 57.843 56.400 0.262 0.000 0.801 73 E CB -0.121 29.812 29.700 0.388 0.000 0.746 73 E HN 0.397 nan 8.360 nan 0.000 0.450 74 A N 0.394 123.189 122.820 -0.041 0.000 1.930 74 A HA -0.175 4.151 4.320 0.011 0.000 0.217 74 A C 1.810 179.244 177.584 -0.249 0.000 1.175 74 A CA 1.153 52.818 52.037 -0.620 0.000 0.627 74 A CB -0.687 17.492 19.000 -1.367 0.000 0.815 74 A HN 0.261 nan 8.150 nan 0.000 0.443 75 Y N 0.474 120.793 120.300 0.031 0.000 2.352 75 Y HA -0.110 4.447 4.550 0.011 0.000 0.292 75 Y C 2.326 178.372 175.900 0.243 0.000 1.136 75 Y CA 1.414 59.615 58.100 0.169 0.000 1.227 75 Y CB -0.292 38.307 38.460 0.232 0.000 0.991 75 Y HN 0.490 nan 8.280 nan 0.000 0.545 76 E N -0.859 119.582 120.200 0.401 0.000 2.158 76 E HA -0.132 4.225 4.350 0.011 0.000 0.191 76 E C 0.468 177.245 176.600 0.295 0.000 0.982 76 E CA 0.861 57.453 56.400 0.321 0.000 0.823 76 E CB 0.051 29.929 29.700 0.297 0.000 0.766 76 E HN 0.132 nan 8.360 nan 0.000 0.468 77 D N 0.234 120.799 120.400 0.276 0.000 2.631 77 D HA -0.023 4.624 4.640 0.011 0.000 0.227 77 D C 0.543 176.940 176.300 0.162 0.000 1.146 77 D CA -0.387 53.722 54.000 0.181 0.000 1.009 77 D CB -0.214 40.779 40.800 0.322 0.000 1.057 77 D HN 0.210 nan 8.370 nan 0.000 0.509 78 Y N 0.829 121.218 120.300 0.150 0.000 2.403 78 Y HA -0.039 4.517 4.550 0.010 0.000 0.291 78 Y C 1.856 177.763 175.900 0.011 0.000 1.143 78 Y CA 0.685 58.861 58.100 0.126 0.000 1.257 78 Y CB -0.334 38.201 38.460 0.125 0.000 0.984 78 Y HN 0.034 nan 8.280 nan 0.000 0.550 79 R N -0.175 119.886 120.500 -0.731 0.000 2.081 79 R HA -0.133 4.213 4.340 0.011 0.000 0.235 79 R C 1.679 177.664 176.300 -0.525 0.000 1.131 79 R CA 2.141 57.867 56.100 -0.624 0.000 0.960 79 R CB -0.489 29.334 30.300 -0.794 0.000 0.856 79 R HN 0.600 nan 8.270 nan 0.000 0.436 80 H N -2.059 116.735 119.070 -0.460 0.000 2.486 80 H HA 0.098 4.660 4.556 0.010 0.000 0.287 80 H C -0.201 174.712 175.328 -0.692 0.000 1.010 80 H CA 0.190 55.807 56.048 -0.718 0.000 1.324 80 H CB 0.434 29.423 29.762 -1.289 0.000 1.446 80 H HN -0.022 nan 8.280 nan 0.000 0.537 81 F N 1.111 121.044 119.950 -0.029 0.000 2.311 81 F HA 0.289 4.822 4.527 0.011 0.000 0.371 81 F C 0.159 175.986 175.800 0.045 0.000 1.083 81 F CA -0.748 57.242 58.000 -0.018 0.000 1.113 81 F CB 1.279 40.225 39.000 -0.090 0.000 1.349 81 F HN -0.110 nan 8.300 nan 0.000 0.470 82 S N 1.040 116.836 115.700 0.159 0.000 2.554 82 S HA 0.284 4.760 4.470 0.011 0.000 0.278 82 S C 1.006 175.677 174.600 0.117 0.000 1.242 82 S CA -0.499 57.787 58.200 0.143 0.000 1.051 82 S CB 1.249 64.499 63.200 0.084 0.000 0.986 82 S HN 0.501 nan 8.310 nan 0.000 0.502 83 S N 2.901 118.667 115.700 0.109 0.000 2.603 83 S HA 0.045 4.521 4.470 0.011 0.000 0.220 83 S C 1.502 176.096 174.600 -0.010 0.000 0.967 83 S CA 0.127 58.331 58.200 0.007 0.000 0.920 83 S CB -0.226 62.924 63.200 -0.084 0.000 0.773 83 S HN 0.868 nan 8.310 nan 0.000 0.529 84 E N 0.275 120.491 120.200 0.028 0.000 2.118 84 E HA -0.158 4.199 4.350 0.011 0.000 0.195 84 E C 0.517 177.113 176.600 -0.006 0.000 0.992 84 E CA 0.808 57.219 56.400 0.019 0.000 0.804 84 E CB 0.111 29.830 29.700 0.032 0.000 0.741 84 E HN 0.405 nan 8.360 nan 0.000 0.458 85 C N 1.402 120.688 119.300 -0.023 0.000 2.816 85 C HA 0.429 4.895 4.460 0.011 0.000 0.255 85 C C -2.053 172.861 174.990 -0.126 0.000 1.141 85 C CA -1.659 57.323 59.018 -0.059 0.000 1.554 85 C CB 0.663 28.399 27.740 -0.006 0.000 1.778 85 C HN 0.284 nan 8.230 nan 0.000 0.429 86 P HA 0.190 nan 4.420 nan 0.000 0.257 86 P C -0.177 176.938 177.300 -0.308 0.000 1.241 86 P CA 0.417 63.287 63.100 -0.383 0.000 0.816 86 P CB 0.214 31.534 31.700 -0.633 0.000 1.150 87 F N 0.106 119.942 119.950 -0.191 0.000 2.522 87 F HA 0.457 4.990 4.527 0.010 0.000 0.324 87 F C 0.737 176.441 175.800 -0.161 0.000 1.077 87 F CA -2.211 55.656 58.000 -0.222 0.000 0.944 87 F CB 0.973 39.744 39.000 -0.380 0.000 1.175 87 F HN -0.353 nan 8.300 nan 0.000 0.468 88 I N 4.966 125.585 120.570 0.082 0.000 2.359 88 I HA 0.348 4.524 4.170 0.011 0.000 0.294 88 I C -2.079 174.114 176.117 0.128 0.000 0.987 88 I CA -1.875 59.428 61.300 0.005 0.000 1.225 88 I CB 1.816 39.687 38.000 -0.216 0.000 1.366 88 I HN 0.359 nan 8.210 nan 0.000 0.466 89 P HA 0.197 nan 4.420 nan 0.000 0.278 89 P C 0.311 177.613 177.300 0.003 0.000 1.266 89 P CA -0.592 62.521 63.100 0.022 0.000 0.807 89 P CB 1.016 32.717 31.700 0.001 0.000 1.094 90 R N 0.462 120.971 120.500 0.015 0.000 2.103 90 R HA -0.215 4.131 4.340 0.011 0.000 0.242 90 R C 1.663 177.969 176.300 0.009 0.000 1.142 90 R CA 1.970 58.082 56.100 0.019 0.000 0.960 90 R CB -0.298 30.027 30.300 0.041 0.000 0.858 90 R HN 0.394 nan 8.270 nan 0.000 0.439 91 E N 0.175 120.381 120.200 0.009 0.000 2.110 91 E HA -0.148 4.209 4.350 0.011 0.000 0.193 91 E C 1.807 178.408 176.600 0.003 0.000 0.988 91 E CA 1.535 57.945 56.400 0.016 0.000 0.804 91 E CB -0.256 29.456 29.700 0.021 0.000 0.745 91 E HN 0.486 nan 8.360 nan 0.000 0.458 92 A N 0.535 123.319 122.820 -0.060 0.000 1.873 92 A HA -0.054 4.272 4.320 0.011 0.000 0.215 92 A C 2.479 179.939 177.584 -0.208 0.000 1.186 92 A CA 1.742 53.641 52.037 -0.229 0.000 0.616 92 A CB -1.264 17.530 19.000 -0.343 0.000 0.823 92 A HN 0.355 nan 8.150 nan 0.000 0.442 93 G N -0.511 108.236 108.800 -0.089 0.000 2.442 93 G HA2 -0.235 3.732 3.960 0.011 0.000 0.219 93 G HA3 -0.235 3.732 3.960 0.011 0.000 0.219 93 G C 1.441 176.320 174.900 -0.036 0.000 1.141 93 G CA 1.059 46.096 45.100 -0.105 0.000 0.763 93 G HN 0.661 nan 8.290 nan 0.000 0.554 94 E N 0.315 120.519 120.200 0.006 0.000 2.106 94 E HA 0.018 4.374 4.350 0.011 0.000 0.192 94 E C 2.871 179.518 176.600 0.078 0.000 0.984 94 E CA 0.697 57.120 56.400 0.039 0.000 0.806 94 E CB -0.122 29.602 29.700 0.040 0.000 0.750 94 E HN 0.424 nan 8.360 nan 0.000 0.458 95 A N 0.678 123.571 122.820 0.121 0.000 2.014 95 A HA -0.112 4.214 4.320 0.011 0.000 0.218 95 A C 0.833 178.574 177.584 0.261 0.000 1.163 95 A CA 0.248 52.405 52.037 0.201 0.000 0.652 95 A CB -0.382 18.799 19.000 0.303 0.000 0.808 95 A HN 0.332 nan 8.150 nan 0.000 0.449 96 Y N 2.016 122.372 120.300 0.094 0.000 2.496 96 Y HA 0.272 4.828 4.550 0.010 0.000 0.334 96 Y C 0.194 176.102 175.900 0.013 0.000 1.080 96 Y CA -0.111 58.044 58.100 0.092 0.000 1.355 96 Y CB 0.641 39.049 38.460 -0.087 0.000 1.193 96 Y HN 0.408 nan 8.280 nan 0.000 0.523 97 D N 4.566 124.749 120.400 -0.361 0.000 2.620 97 D HA 0.023 4.669 4.640 0.011 0.000 0.260 97 D C -0.573 175.621 176.300 -0.177 0.000 1.367 97 D CA -0.317 53.554 54.000 -0.214 0.000 0.805 97 D CB -0.634 40.144 40.800 -0.038 0.000 1.096 97 D HN 0.175 nan 8.370 nan 0.000 0.488 98 F N 1.313 120.874 119.950 -0.648 0.000 2.589 98 F HA 0.280 4.813 4.527 0.011 0.000 0.352 98 F C 1.180 176.840 175.800 -0.234 0.000 1.168 98 F CA -0.834 56.944 58.000 -0.370 0.000 1.353 98 F CB 0.399 39.163 39.000 -0.393 0.000 1.116 98 F HN -0.094 nan 8.300 nan 0.000 0.608 99 I N 4.718 125.317 120.570 0.048 0.000 2.433 99 I HA 0.223 4.400 4.170 0.011 0.000 0.292 99 I C -1.847 174.285 176.117 0.026 0.000 1.001 99 I CA -1.662 59.607 61.300 -0.050 0.000 1.119 99 I CB 2.374 40.242 38.000 -0.219 0.000 1.289 99 I HN 0.336 nan 8.210 nan 0.000 0.438 100 P HA 0.062 nan 4.420 nan 0.000 0.267 100 P C 1.161 178.594 177.300 0.221 0.000 1.289 100 P CA 0.124 63.284 63.100 0.100 0.000 0.866 100 P CB 0.050 31.834 31.700 0.141 0.000 1.309 101 T N -2.540 112.148 114.554 0.222 0.000 2.897 101 T HA -0.140 4.217 4.350 0.011 0.000 0.271 101 T C 1.631 176.383 174.700 0.088 0.000 1.084 101 T CA 1.682 63.892 62.100 0.182 0.000 1.123 101 T CB -1.071 67.995 68.868 0.329 0.000 0.865 101 T HN 0.218 nan 8.240 nan 0.000 0.496 102 S N -0.186 115.570 115.700 0.093 0.000 2.556 102 S HA 0.408 4.885 4.470 0.011 0.000 0.216 102 S C 0.496 175.117 174.600 0.035 0.000 0.970 102 S CA -0.684 57.541 58.200 0.042 0.000 0.912 102 S CB -0.468 62.707 63.200 -0.041 0.000 0.790 102 S HN 0.449 nan 8.310 nan 0.000 0.504 103 M N 1.954 121.606 119.600 0.087 0.000 2.598 103 M HA 0.490 4.977 4.480 0.011 0.000 0.317 103 M C -0.943 175.475 176.300 0.197 0.000 1.201 103 M CA -0.640 54.716 55.300 0.093 0.000 0.971 103 M CB 1.225 33.842 32.600 0.028 0.000 1.657 103 M HN 0.009 nan 8.290 nan 0.000 0.470 104 D N 1.597 122.077 120.400 0.133 0.000 2.228 104 D HA 0.462 5.109 4.640 0.011 0.000 0.247 104 D C -2.433 173.846 176.300 -0.036 0.000 0.995 104 D CA -1.262 52.812 54.000 0.124 0.000 0.903 104 D CB 1.176 42.081 40.800 0.175 0.000 1.205 104 D HN 0.155 nan 8.370 nan 0.000 0.459 105 P HA 0.072 nan 4.420 nan 0.000 0.267 105 P C -1.900 175.300 177.300 -0.166 0.000 1.200 105 P CA -0.729 62.138 63.100 -0.389 0.000 0.772 105 P CB 0.164 31.307 31.700 -0.928 0.000 0.855 106 P HA 0.003 nan 4.420 nan 0.000 0.252 106 P C 1.052 178.343 177.300 -0.015 0.000 1.218 106 P CA 0.557 63.618 63.100 -0.065 0.000 0.807 106 P CB 0.031 31.723 31.700 -0.013 0.000 1.072 107 E N 0.821 121.042 120.200 0.036 0.000 2.153 107 E HA -0.245 4.111 4.350 0.011 0.000 0.194 107 E C 2.104 178.827 176.600 0.205 0.000 0.988 107 E CA 0.695 57.167 56.400 0.120 0.000 0.811 107 E CB -0.807 28.982 29.700 0.149 0.000 0.746 107 E HN 0.136 nan 8.360 nan 0.000 0.466 108 Q N 1.339 121.200 119.800 0.102 0.000 2.181 108 Q HA -0.221 4.125 4.340 0.011 0.000 0.205 108 Q C 2.133 178.187 176.000 0.090 0.000 0.980 108 Q CA 1.478 57.341 55.803 0.101 0.000 0.862 108 Q CB -0.040 28.664 28.738 -0.056 0.000 0.905 108 Q HN 0.362 nan 8.270 nan 0.000 0.429 109 R N -0.303 120.195 120.500 -0.003 0.000 2.096 109 R HA -0.171 4.176 4.340 0.011 0.000 0.240 109 R C 2.475 178.759 176.300 -0.028 0.000 1.139 109 R CA 1.913 57.987 56.100 -0.044 0.000 0.952 109 R CB -0.105 30.154 30.300 -0.068 0.000 0.854 109 R HN 0.380 nan 8.270 nan 0.000 0.436 110 Q N -0.679 119.092 119.800 -0.049 0.000 2.137 110 Q HA -0.067 4.280 4.340 0.011 0.000 0.198 110 Q C 2.050 177.942 176.000 -0.180 0.000 0.960 110 Q CA 1.154 56.864 55.803 -0.155 0.000 0.847 110 Q CB -0.025 28.553 28.738 -0.267 0.000 0.915 110 Q HN 0.325 nan 8.270 nan 0.000 0.448 111 F N 1.007 120.943 119.950 -0.025 0.000 2.134 111 F HA -0.125 4.408 4.527 0.010 0.000 0.299 111 F C 2.643 178.434 175.800 -0.014 0.000 1.097 111 F CA 1.137 59.130 58.000 -0.012 0.000 1.264 111 F CB -0.297 38.704 39.000 0.001 0.000 1.001 111 F HN 0.030 nan 8.300 nan 0.000 0.479 112 R N 0.695 121.287 120.500 0.152 0.000 2.081 112 R HA -0.160 4.186 4.340 0.011 0.000 0.235 112 R C 2.343 178.659 176.300 0.027 0.000 1.131 112 R CA 1.300 57.439 56.100 0.064 0.000 0.960 112 R CB -0.507 29.793 30.300 -0.000 0.000 0.856 112 R HN 0.259 nan 8.270 nan 0.000 0.436 113 A N 1.129 123.948 122.820 -0.001 0.000 1.908 113 A HA -0.186 4.140 4.320 0.011 0.000 0.218 113 A C 2.026 179.602 177.584 -0.014 0.000 1.181 113 A CA 1.372 53.397 52.037 -0.020 0.000 0.627 113 A CB -0.581 18.392 19.000 -0.046 0.000 0.818 113 A HN 0.398 nan 8.150 nan 0.000 0.445 114 L N -0.426 120.790 121.223 -0.012 0.000 2.044 114 L HA 0.045 4.391 4.340 0.011 0.000 0.205 114 L C 2.681 179.566 176.870 0.025 0.000 1.075 114 L CA 2.120 56.957 54.840 -0.004 0.000 0.747 114 L CB -0.880 41.170 42.059 -0.015 0.000 0.903 114 L HN 0.326 nan 8.230 nan 0.000 0.435 115 A N -0.322 122.530 122.820 0.053 0.000 1.940 115 A HA -0.301 4.025 4.320 0.011 0.000 0.219 115 A C 2.188 179.794 177.584 0.036 0.000 1.176 115 A CA 1.994 54.065 52.037 0.056 0.000 0.631 115 A CB -1.097 17.948 19.000 0.074 0.000 0.814 115 A HN 0.635 nan 8.150 nan 0.000 0.446 116 N N -0.296 118.420 118.700 0.026 0.000 2.223 116 N HA -0.190 4.557 4.740 0.011 0.000 0.185 116 N C 1.826 177.343 175.510 0.012 0.000 1.016 116 N CA 1.777 54.838 53.050 0.019 0.000 0.863 116 N CB -0.338 38.155 38.487 0.011 0.000 0.983 116 N HN 0.643 nan 8.380 nan 0.000 0.429 117 Q N -0.681 119.121 119.800 0.004 0.000 2.152 117 Q HA -0.130 4.216 4.340 0.011 0.000 0.206 117 Q C 1.769 177.768 176.000 -0.002 0.000 0.985 117 Q CA 1.799 57.600 55.803 -0.003 0.000 0.863 117 Q CB -0.013 28.719 28.738 -0.009 0.000 0.904 117 Q HN 0.533 nan 8.270 nan 0.000 0.422 118 V N -3.183 116.735 119.914 0.006 0.000 3.660 118 V HA 0.101 4.227 4.120 0.011 0.000 0.276 118 V C 1.360 177.459 176.094 0.007 0.000 1.317 118 V CA 0.533 62.834 62.300 0.002 0.000 1.097 118 V CB 0.666 32.492 31.823 0.005 0.000 0.863 118 V HN 0.241 nan 8.190 nan 0.000 0.438 119 V N -2.876 117.050 119.914 0.020 0.000 3.382 119 V HA 0.693 4.820 4.120 0.011 0.000 0.296 119 V C 1.061 177.174 176.094 0.032 0.000 1.529 119 V CA 0.313 62.629 62.300 0.027 0.000 1.048 119 V CB -0.553 31.294 31.823 0.041 0.000 0.878 119 V HN 0.435 nan 8.190 nan 0.000 0.442 120 G N -0.052 108.766 108.800 0.030 0.000 2.621 120 G HA2 0.351 4.317 3.960 0.011 0.000 0.271 120 G HA3 0.351 4.317 3.960 0.011 0.000 0.271 120 G C 0.536 175.454 174.900 0.029 0.000 1.236 120 G CA 0.113 45.243 45.100 0.049 0.000 0.958 120 G HN 0.192 nan 8.290 nan 0.000 0.512 121 M N 1.255 120.853 119.600 -0.003 0.000 2.143 121 M HA -0.074 4.412 4.480 0.011 0.000 0.258 121 M C 0.029 176.287 176.300 -0.070 0.000 1.071 121 M CA 2.044 57.279 55.300 -0.109 0.000 1.088 121 M CB -0.789 31.621 32.600 -0.317 0.000 1.360 121 M HN 0.395 nan 8.290 nan 0.000 0.404 122 P HA -0.080 nan 4.420 nan 0.000 0.216 122 P C 1.738 179.023 177.300 -0.026 0.000 1.153 122 P CA 1.279 64.356 63.100 -0.039 0.000 0.844 122 P CB -0.237 31.443 31.700 -0.033 0.000 0.787 123 V N 0.435 120.338 119.914 -0.019 0.000 2.568 123 V HA -0.167 3.960 4.120 0.011 0.000 0.253 123 V C 2.652 178.739 176.094 -0.011 0.000 1.072 123 V CA 1.492 63.783 62.300 -0.015 0.000 1.084 123 V CB -1.009 30.807 31.823 -0.013 0.000 0.676 123 V HN -0.059 nan 8.190 nan 0.000 0.469 124 V N -0.005 119.906 119.914 -0.006 0.000 3.078 124 V HA -0.154 3.972 4.120 0.011 0.000 0.265 124 V C 1.961 178.057 176.094 0.003 0.000 1.122 124 V CA 1.529 63.832 62.300 0.005 0.000 1.141 124 V CB -0.615 31.219 31.823 0.019 0.000 0.735 124 V HN 0.589 nan 8.190 nan 0.000 0.498 125 D N 0.973 121.370 120.400 -0.006 0.000 2.149 125 D HA -0.086 4.560 4.640 0.011 0.000 0.206 125 D C 2.180 178.479 176.300 -0.002 0.000 0.967 125 D CA 1.127 55.125 54.000 -0.003 0.000 0.848 125 D CB -0.187 40.607 40.800 -0.010 0.000 0.998 125 D HN 0.564 nan 8.370 nan 0.000 0.474 126 K N 0.380 120.776 120.400 -0.008 0.000 2.442 126 K HA -0.043 4.283 4.320 0.011 0.000 0.198 126 K C 1.584 178.180 176.600 -0.008 0.000 1.042 126 K CA 0.578 56.859 56.287 -0.008 0.000 0.958 126 K CB 0.172 32.663 32.500 -0.015 0.000 0.766 126 K HN 0.027 nan 8.250 nan 0.000 0.474 127 L N 1.673 122.892 121.223 -0.006 0.000 2.298 127 L HA 0.060 4.407 4.340 0.011 0.000 0.209 127 L C 2.165 179.042 176.870 0.012 0.000 1.084 127 L CA 1.386 56.222 54.840 -0.007 0.000 0.816 127 L CB -0.477 41.572 42.059 -0.015 0.000 0.967 127 L HN 0.229 nan 8.230 nan 0.000 0.460 128 E N 1.237 121.450 120.200 0.022 0.000 2.136 128 E HA -0.320 4.036 4.350 0.011 0.000 0.202 128 E C 1.736 178.367 176.600 0.052 0.000 1.019 128 E CA 2.261 58.687 56.400 0.042 0.000 0.819 128 E CB -0.213 29.509 29.700 0.036 0.000 0.739 128 E HN 0.729 nan 8.360 nan 0.000 0.458 129 N N -0.779 117.942 118.700 0.036 0.000 2.188 129 N HA -0.148 4.599 4.740 0.011 0.000 0.184 129 N C 1.614 177.151 175.510 0.045 0.000 1.018 129 N CA 1.111 54.184 53.050 0.038 0.000 0.858 129 N CB -0.114 38.387 38.487 0.024 0.000 0.989 129 N HN -0.007 nan 8.380 nan 0.000 0.426 130 R N 0.384 120.905 120.500 0.034 0.000 2.115 130 R HA 0.118 4.464 4.340 0.011 0.000 0.226 130 R C 2.129 178.471 176.300 0.069 0.000 1.100 130 R CA 0.667 56.788 56.100 0.036 0.000 0.980 130 R CB -0.755 29.549 30.300 0.007 0.000 0.875 130 R HN 0.444 nan 8.270 nan 0.000 0.445 131 I N 0.998 121.615 120.570 0.079 0.000 2.163 131 I HA -0.302 3.874 4.170 0.011 0.000 0.240 131 I C 2.707 178.976 176.117 0.253 0.000 1.081 131 I CA 1.312 62.706 61.300 0.156 0.000 1.353 131 I CB -0.406 37.673 38.000 0.133 0.000 1.054 131 I HN 0.071 nan 8.210 nan 0.000 0.407 132 Q N 1.623 121.525 119.800 0.170 0.000 2.029 132 Q HA -0.315 4.032 4.340 0.011 0.000 0.209 132 Q C 2.094 178.170 176.000 0.127 0.000 0.999 132 Q CA 2.424 58.312 55.803 0.142 0.000 0.857 132 Q CB -0.472 28.322 28.738 0.094 0.000 0.926 132 Q HN 0.488 nan 8.270 nan 0.000 0.415 133 E N -0.648 119.613 120.200 0.101 0.000 2.085 133 E HA -0.229 4.128 4.350 0.011 0.000 0.194 133 E C 2.012 178.674 176.600 0.102 0.000 0.994 133 E CA 1.470 57.919 56.400 0.081 0.000 0.801 133 E CB -0.273 29.462 29.700 0.058 0.000 0.743 133 E HN 0.447 nan 8.360 nan 0.000 0.453 134 L N 0.740 122.050 121.223 0.146 0.000 2.046 134 L HA -0.106 4.240 4.340 0.011 0.000 0.208 134 L C 2.433 179.419 176.870 0.194 0.000 1.077 134 L CA 2.008 56.955 54.840 0.178 0.000 0.747 134 L CB -0.499 41.697 42.059 0.228 0.000 0.896 134 L HN 0.198 nan 8.230 nan 0.000 0.432 135 A N -1.464 121.502 122.820 0.243 0.000 1.877 135 A HA -0.232 4.095 4.320 0.011 0.000 0.216 135 A C 2.376 180.042 177.584 0.138 0.000 1.186 135 A CA 1.783 53.890 52.037 0.117 0.000 0.620 135 A CB -1.441 17.623 19.000 0.106 0.000 0.822 135 A HN 0.608 nan 8.150 nan 0.000 0.443 136 C N -0.196 119.164 119.300 0.099 0.000 2.432 136 C HA -0.094 4.372 4.460 0.011 0.000 0.277 136 C C 3.480 178.495 174.990 0.041 0.000 1.249 136 C CA 1.534 60.584 59.018 0.053 0.000 1.725 136 C CB -1.190 26.574 27.740 0.040 0.000 2.028 136 C HN 0.797 nan 8.230 nan 0.000 0.477 137 S N 0.542 116.274 115.700 0.052 0.000 2.387 137 S HA -0.057 4.420 4.470 0.011 0.000 0.226 137 S C 1.775 176.401 174.600 0.044 0.000 1.026 137 S CA 1.183 59.406 58.200 0.039 0.000 0.972 137 S CB -0.663 62.559 63.200 0.038 0.000 0.814 137 S HN 0.622 nan 8.310 nan 0.000 0.477 138 L N 0.668 121.927 121.223 0.061 0.000 1.989 138 L HA -0.070 4.276 4.340 0.011 0.000 0.211 138 L C 2.669 179.620 176.870 0.135 0.000 1.071 138 L CA 1.719 56.608 54.840 0.081 0.000 0.749 138 L CB -0.552 41.504 42.059 -0.005 0.000 0.890 138 L HN 0.338 nan 8.230 nan 0.000 0.431 139 I N -0.506 120.145 120.570 0.134 0.000 2.226 139 I HA -0.278 3.899 4.170 0.011 0.000 0.245 139 I C 2.568 178.609 176.117 -0.126 0.000 1.100 139 I CA 1.136 62.402 61.300 -0.056 0.000 1.374 139 I CB -0.203 37.695 38.000 -0.170 0.000 1.057 139 I HN 0.255 nan 8.210 nan 0.000 0.413 140 E N 1.070 121.232 120.200 -0.063 0.000 2.153 140 E HA -0.206 4.151 4.350 0.011 0.000 0.194 140 E C 2.194 178.789 176.600 -0.008 0.000 0.988 140 E CA 1.688 58.059 56.400 -0.049 0.000 0.811 140 E CB -0.170 29.514 29.700 -0.027 0.000 0.746 140 E HN 0.513 nan 8.360 nan 0.000 0.466 141 S N -0.558 115.153 115.700 0.019 0.000 2.423 141 S HA -0.077 4.399 4.470 0.011 0.000 0.231 141 S C 1.928 176.570 174.600 0.070 0.000 1.014 141 S CA 0.986 59.211 58.200 0.041 0.000 0.965 141 S CB -0.330 62.897 63.200 0.046 0.000 0.785 141 S HN 0.342 nan 8.310 nan 0.000 0.495 142 L N 0.429 121.704 121.223 0.087 0.000 2.298 142 L HA 0.251 4.598 4.340 0.011 0.000 0.209 142 L C 2.958 180.008 176.870 0.301 0.000 1.084 142 L CA 0.441 55.396 54.840 0.192 0.000 0.816 142 L CB -0.495 41.710 42.059 0.243 0.000 0.967 142 L HN 0.273 nan 8.230 nan 0.000 0.460 143 R N 1.314 121.884 120.500 0.116 0.000 2.113 143 R HA -0.178 4.168 4.340 0.011 0.000 0.244 143 R C -0.542 175.969 176.300 0.353 0.000 1.142 143 R CA 2.143 58.320 56.100 0.128 0.000 0.953 143 R CB -1.153 29.083 30.300 -0.107 0.000 0.860 143 R HN 0.245 nan 8.270 nan 0.000 0.438 144 P HA -0.079 nan 4.420 nan 0.000 0.229 144 P C 0.528 177.867 177.300 0.065 0.000 1.160 144 P CA 1.129 64.302 63.100 0.122 0.000 0.777 144 P CB -0.042 31.693 31.700 0.060 0.000 0.814 145 Q N -0.433 119.402 119.800 0.058 0.000 2.226 145 Q HA -0.003 4.343 4.340 0.011 0.000 0.204 145 Q C 1.682 177.491 176.000 -0.319 0.000 0.975 145 Q CA 1.193 56.948 55.803 -0.081 0.000 0.866 145 Q CB -0.643 28.069 28.738 -0.044 0.000 0.915 145 Q HN 0.290 nan 8.270 nan 0.000 0.440 146 G N 1.123 109.539 108.800 -0.639 0.000 2.189 146 G HA2 -0.325 3.641 3.960 0.011 0.000 0.267 146 G HA3 -0.325 3.641 3.960 0.011 0.000 0.267 146 G C -0.025 173.889 174.900 -1.643 0.000 0.975 146 G CA 0.797 45.090 45.100 -1.345 0.000 0.644 146 G HN 0.472 nan 8.290 nan 0.000 0.537 147 Q N -1.324 117.651 119.800 -1.375 0.000 2.522 147 Q HA 0.662 5.008 4.340 0.011 0.000 0.285 147 Q C -0.322 175.541 176.000 -0.229 0.000 0.982 147 Q CA -0.676 54.672 55.803 -0.757 0.000 0.805 147 Q CB 1.894 30.438 28.738 -0.324 0.000 1.457 147 Q HN 1.289 nan 8.270 nan 0.000 0.394 148 C N -0.436 118.956 119.300 0.153 0.000 3.321 148 C HA 0.689 5.155 4.460 0.011 0.000 0.329 148 C C -1.340 173.783 174.990 0.221 0.000 1.394 148 C CA -0.955 58.219 59.018 0.261 0.000 1.291 148 C CB 1.264 29.288 27.740 0.472 0.000 1.606 148 C HN 0.998 nan 8.230 nan 0.000 0.463 149 N N 0.479 119.279 118.700 0.167 0.000 2.500 149 N HA 0.270 5.016 4.740 0.011 0.000 0.236 149 N C 0.039 175.646 175.510 0.161 0.000 1.022 149 N CA -1.171 51.966 53.050 0.145 0.000 0.935 149 N CB 0.224 38.760 38.487 0.081 0.000 1.147 149 N HN 0.755 nan 8.380 nan 0.000 0.512 150 F N 3.354 123.336 119.950 0.054 0.000 2.126 150 F HA -0.179 4.354 4.527 0.010 0.000 0.299 150 F C 1.726 177.534 175.800 0.014 0.000 1.096 150 F CA 1.620 59.622 58.000 0.003 0.000 1.255 150 F CB -0.295 38.585 39.000 -0.201 0.000 0.997 150 F HN 0.418 nan 8.300 nan 0.000 0.479 151 T N -0.262 114.302 114.554 0.018 0.000 2.652 151 T HA -0.260 4.096 4.350 0.011 0.000 0.267 151 T C 1.699 176.327 174.700 -0.120 0.000 1.039 151 T CA 1.847 63.903 62.100 -0.074 0.000 1.153 151 T CB -0.369 68.492 68.868 -0.011 0.000 0.863 151 T HN 0.314 nan 8.240 nan 0.000 0.428 152 E N 0.973 121.141 120.200 -0.054 0.000 2.072 152 E HA -0.104 4.252 4.350 0.011 0.000 0.190 152 E C 1.604 178.176 176.600 -0.047 0.000 0.982 152 E CA 1.154 57.532 56.400 -0.038 0.000 0.803 152 E CB -0.101 29.598 29.700 -0.002 0.000 0.755 152 E HN 0.358 nan 8.360 nan 0.000 0.453 153 D N -1.577 118.803 120.400 -0.034 0.000 2.355 153 D HA -0.017 4.629 4.640 0.011 0.000 0.206 153 D C 0.880 177.179 176.300 -0.001 0.000 1.010 153 D CA 0.536 54.545 54.000 0.015 0.000 0.875 153 D CB 0.258 41.120 40.800 0.102 0.000 0.966 153 D HN 0.253 nan 8.370 nan 0.000 0.512 154 Y N 0.618 120.738 120.300 -0.300 0.000 2.769 154 Y HA 0.370 4.926 4.550 0.010 0.000 0.266 154 Y C 2.117 177.759 175.900 -0.430 0.000 1.091 154 Y CA 0.670 58.539 58.100 -0.385 0.000 1.272 154 Y CB -0.189 37.950 38.460 -0.535 0.000 1.469 154 Y HN -0.137 nan 8.280 nan 0.000 0.475 155 A N 0.877 123.408 122.820 -0.483 0.000 1.908 155 A HA -0.146 4.181 4.320 0.011 0.000 0.218 155 A C 1.983 179.515 177.584 -0.086 0.000 1.181 155 A CA 2.041 53.937 52.037 -0.234 0.000 0.627 155 A CB -0.548 18.302 19.000 -0.250 0.000 0.818 155 A HN 0.556 nan 8.150 nan 0.000 0.445 156 E N -0.639 119.492 120.200 -0.114 0.000 2.028 156 E HA -0.109 4.248 4.350 0.011 0.000 0.191 156 E C -0.215 176.352 176.600 -0.054 0.000 0.988 156 E CA 1.523 57.884 56.400 -0.065 0.000 0.799 156 E CB -1.513 28.151 29.700 -0.060 0.000 0.755 156 E HN 0.443 nan 8.360 nan 0.000 0.447 157 P HA -0.111 nan 4.420 nan 0.000 0.220 157 P C 1.341 178.622 177.300 -0.031 0.000 1.148 157 P CA 0.750 63.817 63.100 -0.055 0.000 0.803 157 P CB -0.155 31.503 31.700 -0.070 0.000 0.782 158 F N 2.415 122.202 119.950 -0.271 0.000 2.031 158 F HA -0.093 4.439 4.527 0.009 0.000 0.295 158 F C -0.856 174.881 175.800 -0.104 0.000 1.133 158 F CA 1.547 59.382 58.000 -0.275 0.000 1.188 158 F CB -1.862 36.857 39.000 -0.469 0.000 0.974 158 F HN -0.001 nan 8.300 nan 0.000 0.473 159 P HA -0.141 nan 4.420 nan 0.000 0.219 159 P C 2.117 179.360 177.300 -0.096 0.000 1.150 159 P CA 1.327 64.297 63.100 -0.217 0.000 0.814 159 P CB -0.228 31.429 31.700 -0.071 0.000 0.787 160 I N 0.376 120.916 120.570 -0.050 0.000 2.286 160 I HA -0.161 4.015 4.170 0.011 0.000 0.248 160 I C 2.521 178.661 176.117 0.038 0.000 1.115 160 I CA 1.335 62.641 61.300 0.008 0.000 1.392 160 I CB -0.598 37.392 38.000 -0.017 0.000 1.065 160 I HN -0.249 nan 8.210 nan 0.000 0.418 161 R N -0.034 120.452 120.500 -0.025 0.000 2.096 161 R HA -0.092 4.255 4.340 0.011 0.000 0.235 161 R C 2.331 178.599 176.300 -0.053 0.000 1.127 161 R CA 1.816 57.900 56.100 -0.026 0.000 0.968 161 R CB -0.414 29.870 30.300 -0.028 0.000 0.861 161 R HN 0.383 nan 8.270 nan 0.000 0.440 162 I N -0.177 120.317 120.570 -0.125 0.000 2.202 162 I HA -0.279 3.897 4.170 0.011 0.000 0.242 162 I C 2.152 178.240 176.117 -0.049 0.000 1.091 162 I CA 1.117 62.336 61.300 -0.136 0.000 1.368 162 I CB -0.269 37.572 38.000 -0.264 0.000 1.058 162 I HN 0.080 nan 8.210 nan 0.000 0.410 163 F N 1.459 121.342 119.950 -0.111 0.000 2.161 163 F HA -0.280 4.253 4.527 0.010 0.000 0.300 163 F C 2.475 178.250 175.800 -0.041 0.000 1.089 163 F CA 1.620 59.579 58.000 -0.068 0.000 1.282 163 F CB -0.131 38.833 39.000 -0.061 0.000 1.010 163 F HN -0.042 nan 8.300 nan 0.000 0.485 164 M N -0.078 119.499 119.600 -0.038 0.000 2.159 164 M HA -0.179 4.308 4.480 0.011 0.000 0.263 164 M C 2.261 178.461 176.300 -0.166 0.000 1.063 164 M CA 1.475 56.720 55.300 -0.092 0.000 1.110 164 M CB -1.499 31.112 32.600 0.018 0.000 1.374 164 M HN 0.268 nan 8.290 nan 0.000 0.411 165 L N -1.002 120.137 121.223 -0.140 0.000 2.179 165 L HA -0.134 4.213 4.340 0.011 0.000 0.208 165 L C 2.394 179.168 176.870 -0.160 0.000 1.096 165 L CA 0.172 54.940 54.840 -0.119 0.000 0.779 165 L CB -0.628 41.384 42.059 -0.077 0.000 0.922 165 L HN 0.206 nan 8.230 nan 0.000 0.443 166 L N 0.634 121.719 121.223 -0.230 0.000 2.005 166 L HA -0.072 4.274 4.340 0.011 0.000 0.207 166 L C 2.384 179.057 176.870 -0.328 0.000 1.072 166 L CA 2.061 56.750 54.840 -0.252 0.000 0.744 166 L CB -0.598 41.306 42.059 -0.259 0.000 0.895 166 L HN 0.125 nan 8.230 nan 0.000 0.433 167 A N -1.048 121.436 122.820 -0.559 0.000 2.251 167 A HA 0.365 4.691 4.320 0.011 0.000 0.209 167 A C 1.502 178.943 177.584 -0.240 0.000 1.187 167 A CA 0.483 52.228 52.037 -0.486 0.000 0.823 167 A CB -1.198 17.292 19.000 -0.851 0.000 0.846 167 A HN 0.745 nan 8.150 nan 0.000 0.486 168 G N -0.273 108.414 108.800 -0.188 0.000 2.366 168 G HA2 -0.233 3.733 3.960 0.011 0.000 0.299 168 G HA3 -0.233 3.733 3.960 0.011 0.000 0.299 168 G C -0.042 174.822 174.900 -0.060 0.000 1.020 168 G CA 0.745 45.785 45.100 -0.100 0.000 1.026 168 G HN 0.484 nan 8.290 nan 0.000 0.512 169 L N 0.374 121.566 121.223 -0.053 0.000 2.352 169 L HA 0.627 4.973 4.340 0.011 0.000 0.269 169 L C -1.589 175.302 176.870 0.036 0.000 1.034 169 L CA -2.441 52.415 54.840 0.027 0.000 0.806 169 L CB 1.812 43.932 42.059 0.102 0.000 1.244 169 L HN 0.016 nan 8.230 nan 0.000 0.447 170 P HA 0.198 nan 4.420 nan 0.000 0.288 170 P C -0.293 177.043 177.300 0.060 0.000 1.267 170 P CA -0.517 62.613 63.100 0.050 0.000 0.815 170 P CB 1.128 32.859 31.700 0.050 0.000 0.989 171 E N 1.650 121.874 120.200 0.039 0.000 2.114 171 E HA -0.263 4.093 4.350 0.011 0.000 0.199 171 E C 1.528 178.154 176.600 0.044 0.000 1.008 171 E CA 1.444 57.866 56.400 0.037 0.000 0.810 171 E CB -0.134 29.580 29.700 0.024 0.000 0.739 171 E HN 0.598 nan 8.360 nan 0.000 0.456 172 E N 1.308 121.535 120.200 0.045 0.000 2.273 172 E HA -0.230 4.126 4.350 0.011 0.000 0.198 172 E C 1.007 177.648 176.600 0.069 0.000 1.002 172 E CA 1.098 57.526 56.400 0.047 0.000 0.828 172 E CB -0.234 29.489 29.700 0.039 0.000 0.747 172 E HN 0.322 nan 8.360 nan 0.000 0.491 173 D N 0.717 121.174 120.400 0.096 0.000 2.347 173 D HA 0.086 4.733 4.640 0.011 0.000 0.213 173 D C 2.021 178.368 176.300 0.077 0.000 0.985 173 D CA 0.096 54.176 54.000 0.134 0.000 0.879 173 D CB -0.105 40.830 40.800 0.225 0.000 0.919 173 D HN 0.246 nan 8.370 nan 0.000 0.526 174 I N 2.083 122.686 120.570 0.056 0.000 2.091 174 I HA -0.240 3.937 4.170 0.011 0.000 0.239 174 I C -0.496 175.631 176.117 0.017 0.000 1.061 174 I CA 1.402 62.718 61.300 0.028 0.000 1.317 174 I CB -1.387 36.629 38.000 0.026 0.000 1.031 174 I HN 0.059 nan 8.210 nan 0.000 0.401 175 P HA -0.230 nan 4.420 nan 0.000 0.215 175 P C 1.412 178.757 177.300 0.075 0.000 1.157 175 P CA 1.931 65.058 63.100 0.046 0.000 0.868 175 P CB -0.251 31.476 31.700 0.045 0.000 0.788 176 H N -0.182 118.880 119.070 -0.013 0.000 2.319 176 H HA -0.118 4.444 4.556 0.011 0.000 0.299 176 H C 1.898 177.200 175.328 -0.044 0.000 1.092 176 H CA 1.408 57.450 56.048 -0.011 0.000 1.302 176 H CB -0.952 28.801 29.762 -0.015 0.000 1.373 176 H HN -0.141 nan 8.280 nan 0.000 0.497 177 L N 0.937 122.019 121.223 -0.236 0.000 2.046 177 L HA -0.140 4.206 4.340 0.011 0.000 0.208 177 L C 2.353 179.080 176.870 -0.237 0.000 1.077 177 L CA 1.747 56.363 54.840 -0.375 0.000 0.747 177 L CB -0.797 41.069 42.059 -0.321 0.000 0.896 177 L HN 0.213 nan 8.230 nan 0.000 0.432 178 K N -1.425 118.901 120.400 -0.124 0.000 2.063 178 K HA -0.265 4.061 4.320 0.011 0.000 0.208 178 K C 2.262 178.820 176.600 -0.070 0.000 1.048 178 K CA 1.957 58.194 56.287 -0.082 0.000 0.928 178 K CB -0.518 31.964 32.500 -0.030 0.000 0.713 178 K HN 0.414 nan 8.250 nan 0.000 0.442 179 Y N 1.597 121.803 120.300 -0.156 0.000 2.145 179 Y HA -0.212 4.344 4.550 0.011 0.000 0.286 179 Y C 1.994 177.782 175.900 -0.187 0.000 1.145 179 Y CA 1.487 59.502 58.100 -0.143 0.000 1.148 179 Y CB -0.363 38.032 38.460 -0.109 0.000 0.981 179 Y HN -0.034 nan 8.280 nan 0.000 0.507 180 L N -0.197 120.833 121.223 -0.322 0.000 2.017 180 L HA -0.222 4.124 4.340 0.011 0.000 0.208 180 L C 2.710 179.379 176.870 -0.334 0.000 1.073 180 L CA 2.071 56.675 54.840 -0.394 0.000 0.745 180 L CB -1.244 40.602 42.059 -0.356 0.000 0.894 180 L HN 0.418 nan 8.230 nan 0.000 0.432 181 T N -3.844 110.552 114.554 -0.262 0.000 2.777 181 T HA -0.164 4.193 4.350 0.011 0.000 0.266 181 T C 1.514 176.103 174.700 -0.185 0.000 1.040 181 T CA 1.263 63.242 62.100 -0.201 0.000 1.141 181 T CB -0.403 68.363 68.868 -0.171 0.000 0.868 181 T HN 0.182 nan 8.240 nan 0.000 0.444 182 D N 1.220 121.505 120.400 -0.191 0.000 2.149 182 D HA -0.101 4.545 4.640 0.011 0.000 0.198 182 D C 2.257 178.436 176.300 -0.202 0.000 0.990 182 D CA 0.994 54.896 54.000 -0.164 0.000 0.839 182 D CB -0.448 40.271 40.800 -0.135 0.000 0.948 182 D HN 0.525 nan 8.370 nan 0.000 0.460 183 Q N -0.567 119.042 119.800 -0.320 0.000 2.226 183 Q HA -0.097 4.250 4.340 0.011 0.000 0.204 183 Q C 2.047 177.909 176.000 -0.230 0.000 0.975 183 Q CA 0.752 56.358 55.803 -0.328 0.000 0.866 183 Q CB -0.000 28.439 28.738 -0.499 0.000 0.915 183 Q HN 0.308 nan 8.270 nan 0.000 0.440 184 M N -0.799 118.667 119.600 -0.223 0.000 2.248 184 M HA -0.090 4.396 4.480 0.011 0.000 0.265 184 M C 1.756 178.000 176.300 -0.093 0.000 1.079 184 M CA 1.702 56.878 55.300 -0.206 0.000 1.150 184 M CB 0.355 32.812 32.600 -0.238 0.000 1.366 184 M HN 0.147 nan 8.290 nan 0.000 0.433 185 T N -2.790 111.721 114.554 -0.073 0.000 3.001 185 T HA 0.178 4.534 4.350 0.011 0.000 0.251 185 T C 0.957 175.641 174.700 -0.026 0.000 1.040 185 T CA -0.361 61.724 62.100 -0.025 0.000 0.985 185 T CB -0.104 68.750 68.868 -0.023 0.000 1.011 185 T HN 0.406 nan 8.240 nan 0.000 0.509 186 R N 2.632 123.102 120.500 -0.050 0.000 2.664 186 R HA 0.386 4.732 4.340 0.011 0.000 0.281 186 R C -2.899 173.371 176.300 -0.049 0.000 1.383 186 R CA -1.730 54.346 56.100 -0.040 0.000 1.563 186 R CB 0.733 31.006 30.300 -0.045 0.000 1.131 186 R HN 0.152 nan 8.270 nan 0.000 0.599 187 P HA 0.131 nan 4.420 nan 0.000 0.287 187 P C -0.692 176.583 177.300 -0.042 0.000 1.281 187 P CA -0.247 62.824 63.100 -0.048 0.000 0.781 187 P CB 1.377 33.050 31.700 -0.044 0.000 0.903 188 D N 1.792 122.168 120.400 -0.040 0.000 2.328 188 D HA 0.078 4.724 4.640 0.011 0.000 0.221 188 D C 1.241 177.523 176.300 -0.030 0.000 1.072 188 D CA 0.064 54.047 54.000 -0.029 0.000 0.850 188 D CB -0.516 40.271 40.800 -0.021 0.000 0.922 188 D HN 0.608 nan 8.370 nan 0.000 0.516 189 G N 0.876 109.654 108.800 -0.037 0.000 2.159 189 G HA2 -0.376 3.590 3.960 0.011 0.000 0.256 189 G HA3 -0.376 3.590 3.960 0.011 0.000 0.256 189 G C 1.129 176.014 174.900 -0.024 0.000 0.977 189 G CA 0.821 45.901 45.100 -0.035 0.000 0.652 189 G HN 0.585 nan 8.290 nan 0.000 0.531 190 S N -0.681 115.005 115.700 -0.024 0.000 2.453 190 S HA 0.382 4.858 4.470 0.011 0.000 0.231 190 S C 1.150 175.741 174.600 -0.014 0.000 1.005 190 S CA 1.415 59.606 58.200 -0.015 0.000 0.949 190 S CB -0.217 62.976 63.200 -0.011 0.000 0.774 190 S HN 1.586 nan 8.310 nan 0.000 0.510 191 M N 0.524 120.110 119.600 -0.023 0.000 2.520 191 M HA 0.501 4.988 4.480 0.011 0.000 0.283 191 M C -0.689 175.602 176.300 -0.014 0.000 1.237 191 M CA -0.834 54.454 55.300 -0.020 0.000 0.885 191 M CB 1.481 34.062 32.600 -0.032 0.000 1.727 191 M HN 0.054 nan 8.290 nan 0.000 0.468 192 T N -0.917 113.639 114.554 0.004 0.000 2.802 192 T HA 0.216 4.573 4.350 0.011 0.000 0.305 192 T C 0.666 175.396 174.700 0.052 0.000 1.053 192 T CA -0.209 61.915 62.100 0.039 0.000 1.058 192 T CB 0.777 69.678 68.868 0.055 0.000 0.988 192 T HN 0.653 nan 8.240 nan 0.000 0.539 193 F N 1.809 121.737 119.950 -0.035 0.000 2.091 193 F HA -0.065 4.468 4.527 0.010 0.000 0.299 193 F C 2.606 178.391 175.800 -0.025 0.000 1.103 193 F CA 2.128 60.107 58.000 -0.035 0.000 1.228 193 F CB -0.979 38.012 39.000 -0.015 0.000 0.984 193 F HN 0.759 nan 8.300 nan 0.000 0.477 194 A N -0.204 122.691 122.820 0.125 0.000 1.908 194 A HA -0.282 4.044 4.320 0.011 0.000 0.218 194 A C 2.034 179.586 177.584 -0.053 0.000 1.181 194 A CA 2.011 54.072 52.037 0.041 0.000 0.627 194 A CB -1.011 18.058 19.000 0.116 0.000 0.818 194 A HN 0.543 nan 8.150 nan 0.000 0.445 195 E N 0.377 120.553 120.200 -0.040 0.000 2.031 195 E HA -0.068 4.288 4.350 0.011 0.000 0.193 195 E C 2.023 178.562 176.600 -0.102 0.000 0.994 195 E CA 1.849 58.222 56.400 -0.044 0.000 0.800 195 E CB -0.607 29.080 29.700 -0.021 0.000 0.752 195 E HN 0.445 nan 8.360 nan 0.000 0.447 196 A N 1.001 123.715 122.820 -0.177 0.000 1.902 196 A HA -0.221 4.106 4.320 0.011 0.000 0.217 196 A C 2.235 179.638 177.584 -0.301 0.000 1.181 196 A CA 1.951 53.843 52.037 -0.241 0.000 0.623 196 A CB -0.663 18.164 19.000 -0.287 0.000 0.818 196 A HN 0.285 nan 8.150 nan 0.000 0.443 197 K N -0.610 119.534 120.400 -0.427 0.000 2.057 197 K HA -0.183 4.143 4.320 0.011 0.000 0.207 197 K C 1.850 178.285 176.600 -0.276 0.000 1.049 197 K CA 1.512 57.509 56.287 -0.484 0.000 0.931 197 K CB -0.097 32.050 32.500 -0.587 0.000 0.714 197 K HN 0.406 nan 8.250 nan 0.000 0.440 198 E N 0.451 120.612 120.200 -0.065 0.000 2.051 198 E HA -0.171 4.185 4.350 0.011 0.000 0.192 198 E C 1.993 178.641 176.600 0.080 0.000 0.991 198 E CA 1.172 57.634 56.400 0.104 0.000 0.799 198 E CB -0.429 29.323 29.700 0.087 0.000 0.748 198 E HN 0.398 nan 8.360 nan 0.000 0.449 199 A N 1.669 124.494 122.820 0.009 0.000 1.903 199 A HA -0.220 4.106 4.320 0.011 0.000 0.219 199 A C 2.280 179.885 177.584 0.035 0.000 1.191 199 A CA 1.815 53.870 52.037 0.028 0.000 0.638 199 A CB -0.796 18.195 19.000 -0.016 0.000 0.823 199 A HN 0.263 nan 8.150 nan 0.000 0.451 200 L N -1.603 119.581 121.223 -0.065 0.000 1.989 200 L HA -0.154 4.192 4.340 0.011 0.000 0.211 200 L C 2.311 179.226 176.870 0.076 0.000 1.071 200 L CA 2.027 56.826 54.840 -0.068 0.000 0.749 200 L CB -1.106 40.836 42.059 -0.195 0.000 0.890 200 L HN 0.455 nan 8.230 nan 0.000 0.431 201 Y N 0.004 120.364 120.300 0.099 0.000 2.207 201 Y HA -0.245 4.311 4.550 0.010 0.000 0.287 201 Y C 2.589 178.557 175.900 0.112 0.000 1.156 201 Y CA 1.520 59.686 58.100 0.110 0.000 1.182 201 Y CB -0.935 37.573 38.460 0.080 0.000 0.979 201 Y HN 0.355 nan 8.280 nan 0.000 0.521 202 D N -1.049 119.512 120.400 0.268 0.000 2.149 202 D HA -0.262 4.385 4.640 0.011 0.000 0.198 202 D C 2.109 178.536 176.300 0.211 0.000 0.990 202 D CA 1.233 55.352 54.000 0.199 0.000 0.839 202 D CB -0.448 40.454 40.800 0.170 0.000 0.948 202 D HN 0.429 nan 8.370 nan 0.000 0.460 203 Y N 0.551 120.936 120.300 0.141 0.000 2.145 203 Y HA -0.108 4.448 4.550 0.010 0.000 0.286 203 Y C 2.132 178.109 175.900 0.128 0.000 1.145 203 Y CA 1.467 59.658 58.100 0.151 0.000 1.148 203 Y CB -0.318 38.237 38.460 0.158 0.000 0.981 203 Y HN -0.017 nan 8.280 nan 0.000 0.507 204 L N -0.455 120.900 121.223 0.220 0.000 2.156 204 L HA -0.171 4.176 4.340 0.011 0.000 0.208 204 L C 2.374 179.268 176.870 0.040 0.000 1.095 204 L CA 0.912 55.828 54.840 0.127 0.000 0.770 204 L CB -0.445 41.777 42.059 0.271 0.000 0.914 204 L HN 0.289 nan 8.230 nan 0.000 0.439 205 I N 0.248 120.861 120.570 0.071 0.000 2.113 205 I HA -0.273 3.904 4.170 0.011 0.000 0.242 205 I C -0.338 175.772 176.117 -0.012 0.000 1.064 205 I CA 1.792 63.112 61.300 0.033 0.000 1.320 205 I CB -1.456 36.567 38.000 0.040 0.000 1.028 205 I HN 0.241 nan 8.210 nan 0.000 0.406 206 P HA -0.113 nan 4.420 nan 0.000 0.218 206 P C 1.815 179.071 177.300 -0.073 0.000 1.149 206 P CA 1.448 64.514 63.100 -0.056 0.000 0.817 206 P CB -0.079 31.578 31.700 -0.072 0.000 0.785 207 I N -1.308 119.193 120.570 -0.116 0.000 2.226 207 I HA -0.208 3.969 4.170 0.011 0.000 0.245 207 I C 2.220 178.311 176.117 -0.043 0.000 1.100 207 I CA 1.438 62.675 61.300 -0.104 0.000 1.374 207 I CB -0.640 37.265 38.000 -0.158 0.000 1.057 207 I HN -0.101 nan 8.210 nan 0.000 0.413 208 I N 0.758 121.315 120.570 -0.021 0.000 2.202 208 I HA -0.276 3.900 4.170 0.011 0.000 0.242 208 I C 2.695 178.807 176.117 -0.008 0.000 1.091 208 I CA 1.338 62.637 61.300 -0.001 0.000 1.368 208 I CB -0.398 37.612 38.000 0.017 0.000 1.058 208 I HN 0.245 nan 8.210 nan 0.000 0.410 209 E N 0.812 121.003 120.200 -0.014 0.000 2.070 209 E HA -0.336 4.020 4.350 0.011 0.000 0.197 209 E C 2.198 178.789 176.600 -0.016 0.000 1.004 209 E CA 1.818 58.210 56.400 -0.014 0.000 0.805 209 E CB -0.057 29.633 29.700 -0.016 0.000 0.744 209 E HN 0.528 nan 8.360 nan 0.000 0.451 210 Q N -0.416 119.370 119.800 -0.023 0.000 2.135 210 Q HA -0.146 4.200 4.340 0.011 0.000 0.204 210 Q C 2.094 178.083 176.000 -0.018 0.000 0.981 210 Q CA 1.655 57.444 55.803 -0.023 0.000 0.856 210 Q CB -0.000 28.719 28.738 -0.032 0.000 0.902 210 Q HN 0.210 nan 8.270 nan 0.000 0.425 211 R N -0.613 119.878 120.500 -0.016 0.000 2.312 211 R HA 0.146 4.493 4.340 0.011 0.000 0.205 211 R C 1.827 178.122 176.300 -0.008 0.000 0.904 211 R CA 0.035 56.127 56.100 -0.012 0.000 1.052 211 R CB 0.244 30.537 30.300 -0.011 0.000 1.014 211 R HN 0.106 nan 8.270 nan 0.000 0.503 212 R N 0.620 121.116 120.500 -0.007 0.000 2.093 212 R HA -0.031 4.316 4.340 0.011 0.000 0.224 212 R C 2.272 178.567 176.300 -0.007 0.000 1.101 212 R CA 0.976 57.073 56.100 -0.005 0.000 0.979 212 R CB 0.044 30.343 30.300 -0.003 0.000 0.877 212 R HN 0.163 nan 8.270 nan 0.000 0.441 213 Q N 1.076 120.871 119.800 -0.009 0.000 2.062 213 Q HA -0.042 4.304 4.340 0.011 0.000 0.196 213 Q C -0.113 175.881 176.000 -0.010 0.000 0.967 213 Q CA 1.183 56.980 55.803 -0.009 0.000 0.832 213 Q CB 0.500 29.232 28.738 -0.009 0.000 0.899 213 Q HN 0.063 nan 8.270 nan 0.000 0.442 214 K N 2.344 122.738 120.400 -0.011 0.000 2.540 214 K HA 0.382 4.709 4.320 0.011 0.000 0.218 214 K C -2.542 174.050 176.600 -0.012 0.000 1.017 214 K CA -1.734 54.546 56.287 -0.012 0.000 1.029 214 K CB 1.799 34.292 32.500 -0.012 0.000 1.348 214 K HN 0.181 nan 8.250 nan 0.000 0.508 215 P HA 0.144 nan 4.420 nan 0.000 0.284 215 P C -0.126 177.166 177.300 -0.014 0.000 1.253 215 P CA -0.150 62.942 63.100 -0.013 0.000 0.800 215 P CB 1.819 33.512 31.700 -0.012 0.000 0.961 216 G N 0.429 109.219 108.800 -0.017 0.000 3.392 216 G HA2 0.325 4.291 3.960 0.011 0.000 0.188 216 G HA3 0.325 4.291 3.960 0.011 0.000 0.188 216 G C 0.128 175.015 174.900 -0.021 0.000 1.485 216 G CA 0.224 45.313 45.100 -0.019 0.000 0.943 216 G HN 0.513 nan 8.290 nan 0.000 0.627 217 T N 0.363 114.901 114.554 -0.025 0.000 3.130 217 T HA 0.170 4.526 4.350 0.011 0.000 0.288 217 T C -0.038 174.640 174.700 -0.037 0.000 0.936 217 T CA 0.488 62.571 62.100 -0.028 0.000 0.897 217 T CB -0.457 68.396 68.868 -0.026 0.000 1.178 217 T HN 0.582 nan 8.240 nan 0.000 0.543 218 D N 0.820 121.194 120.400 -0.044 0.000 2.360 218 D HA 0.313 4.959 4.640 0.011 0.000 0.242 218 D C 1.533 177.797 176.300 -0.061 0.000 1.184 218 D CA 0.194 54.156 54.000 -0.064 0.000 0.930 218 D CB 1.384 42.140 40.800 -0.073 0.000 1.161 218 D HN 0.128 nan 8.370 nan 0.000 0.447 219 A N 1.486 124.253 122.820 -0.087 0.000 1.917 219 A HA -0.190 4.136 4.320 0.011 0.000 0.219 219 A C 2.378 179.946 177.584 -0.027 0.000 1.182 219 A CA 1.345 53.344 52.037 -0.063 0.000 0.633 219 A CB -0.814 18.127 19.000 -0.098 0.000 0.819 219 A HN 0.684 nan 8.150 nan 0.000 0.448 220 I N -0.615 119.937 120.570 -0.030 0.000 2.226 220 I HA -0.210 3.967 4.170 0.011 0.000 0.245 220 I C 2.671 178.793 176.117 0.007 0.000 1.100 220 I CA 1.395 62.702 61.300 0.011 0.000 1.374 220 I CB -0.320 37.693 38.000 0.021 0.000 1.057 220 I HN 0.229 nan 8.210 nan 0.000 0.413 221 S N 0.812 116.506 115.700 -0.010 0.000 2.368 221 S HA -0.085 4.391 4.470 0.011 0.000 0.225 221 S C 2.010 176.607 174.600 -0.006 0.000 1.030 221 S CA 1.162 59.357 58.200 -0.009 0.000 0.999 221 S CB -0.215 62.975 63.200 -0.017 0.000 0.844 221 S HN 0.312 nan 8.310 nan 0.000 0.459 222 I N 0.912 121.476 120.570 -0.009 0.000 2.142 222 I HA -0.165 4.011 4.170 0.011 0.000 0.240 222 I C 2.229 178.348 176.117 0.004 0.000 1.078 222 I CA 0.984 62.280 61.300 -0.007 0.000 1.343 222 I CB -0.646 37.348 38.000 -0.011 0.000 1.046 222 I HN 0.150 nan 8.210 nan 0.000 0.405 223 V N 1.290 121.214 119.914 0.017 0.000 2.231 223 V HA -0.345 3.781 4.120 0.011 0.000 0.248 223 V C 2.681 178.797 176.094 0.036 0.000 1.054 223 V CA 2.288 64.610 62.300 0.037 0.000 1.015 223 V CB -1.027 30.829 31.823 0.055 0.000 0.638 223 V HN 0.540 nan 8.190 nan 0.000 0.444 224 A N -0.356 122.483 122.820 0.030 0.000 2.125 224 A HA -0.180 4.146 4.320 0.011 0.000 0.219 224 A C 1.700 179.293 177.584 0.016 0.000 1.156 224 A CA 2.016 54.070 52.037 0.027 0.000 0.671 224 A CB -0.653 18.360 19.000 0.021 0.000 0.794 224 A HN 0.730 nan 8.150 nan 0.000 0.459 225 N N -0.988 117.717 118.700 0.007 0.000 2.204 225 N HA 0.285 5.031 4.740 0.011 0.000 0.219 225 N C 0.641 176.145 175.510 -0.009 0.000 1.151 225 N CA 0.242 53.291 53.050 -0.002 0.000 0.867 225 N CB 0.736 39.220 38.487 -0.006 0.000 1.043 225 N HN 0.391 nan 8.380 nan 0.000 0.516 226 G N -0.109 108.687 108.800 -0.008 0.000 2.599 226 G HA2 0.202 4.169 3.960 0.011 0.000 0.264 226 G HA3 0.202 4.169 3.960 0.011 0.000 0.264 226 G C -0.447 174.426 174.900 -0.045 0.000 1.200 226 G CA -0.298 44.786 45.100 -0.026 0.000 0.896 226 G HN 0.090 nan 8.290 nan 0.000 0.536 227 Q N -0.607 119.152 119.800 -0.068 0.000 2.307 227 Q HA 0.465 4.812 4.340 0.011 0.000 0.262 227 Q C -0.475 175.432 176.000 -0.156 0.000 0.961 227 Q CA -0.635 55.114 55.803 -0.091 0.000 0.882 227 Q CB 2.158 30.853 28.738 -0.071 0.000 1.264 227 Q HN 0.502 nan 8.270 nan 0.000 0.446 228 V N 0.130 119.915 119.914 -0.216 0.000 2.823 228 V HA 0.468 4.594 4.120 0.011 0.000 0.312 228 V C 0.130 176.066 176.094 -0.263 0.000 1.072 228 V CA -1.019 61.062 62.300 -0.366 0.000 0.937 228 V CB 1.898 33.235 31.823 -0.811 0.000 1.013 228 V HN 0.861 nan 8.190 nan 0.000 0.430 229 N N 2.307 120.864 118.700 -0.238 0.000 2.701 229 N HA -0.243 4.503 4.740 0.011 0.000 0.250 229 N C 1.134 176.592 175.510 -0.087 0.000 1.046 229 N CA 2.010 54.977 53.050 -0.138 0.000 0.733 229 N CB -1.124 37.296 38.487 -0.112 0.000 0.973 229 N HN 1.948 nan 8.380 nan 0.000 0.541 230 G N -1.233 107.516 108.800 -0.084 0.000 3.211 230 G HA2 -0.328 3.639 3.960 0.011 0.000 0.206 230 G HA3 -0.328 3.639 3.960 0.011 0.000 0.206 230 G C 0.095 174.962 174.900 -0.054 0.000 1.418 230 G CA 0.435 45.501 45.100 -0.057 0.000 0.958 230 G HN 0.748 nan 8.290 nan 0.000 0.567 231 R N 1.358 121.826 120.500 -0.053 0.000 2.797 231 R HA 0.776 5.123 4.340 0.011 0.000 0.251 231 R C -3.106 173.167 176.300 -0.045 0.000 1.107 231 R CA -2.313 53.764 56.100 -0.038 0.000 1.084 231 R CB -0.666 29.622 30.300 -0.021 0.000 1.205 231 R HN 0.286 nan 8.270 nan 0.000 0.515 232 P HA 0.141 nan 4.420 nan 0.000 0.275 232 P C -0.280 177.014 177.300 -0.010 0.000 1.227 232 P CA -0.383 62.703 63.100 -0.024 0.000 0.781 232 P CB 0.505 32.197 31.700 -0.013 0.000 0.906 233 I N 2.268 122.834 120.570 -0.005 0.000 2.815 233 I HA 0.004 4.180 4.170 0.011 0.000 0.291 233 I C 0.770 176.916 176.117 0.049 0.000 1.209 233 I CA 0.383 61.708 61.300 0.043 0.000 1.431 233 I CB 0.562 38.600 38.000 0.064 0.000 1.351 233 I HN 0.429 nan 8.210 nan 0.000 0.585 234 T N 2.413 117.009 114.554 0.071 0.000 2.849 234 T HA 0.199 4.555 4.350 0.011 0.000 0.284 234 T C 1.070 175.791 174.700 0.034 0.000 1.004 234 T CA -0.378 61.748 62.100 0.043 0.000 1.021 234 T CB 1.506 70.397 68.868 0.038 0.000 1.013 234 T HN 0.664 nan 8.240 nan 0.000 0.527 235 S N 0.419 116.127 115.700 0.013 0.000 2.382 235 S HA -0.115 4.361 4.470 0.011 0.000 0.228 235 S C 1.660 176.251 174.600 -0.016 0.000 1.027 235 S CA 1.464 59.665 58.200 0.002 0.000 0.991 235 S CB -0.633 62.563 63.200 -0.007 0.000 0.823 235 S HN 0.962 nan 8.310 nan 0.000 0.469 236 D N 1.012 121.393 120.400 -0.031 0.000 2.117 236 D HA -0.130 4.516 4.640 0.011 0.000 0.197 236 D C 1.942 178.204 176.300 -0.062 0.000 0.987 236 D CA 1.249 55.203 54.000 -0.076 0.000 0.829 236 D CB -0.036 40.720 40.800 -0.074 0.000 0.961 236 D HN 0.452 nan 8.370 nan 0.000 0.460 237 E N -0.259 119.939 120.200 -0.002 0.000 2.072 237 E HA -0.103 4.253 4.350 0.011 0.000 0.191 237 E C 2.151 178.785 176.600 0.056 0.000 0.985 237 E CA 0.857 57.275 56.400 0.028 0.000 0.801 237 E CB -0.147 29.653 29.700 0.167 0.000 0.750 237 E HN 0.360 nan 8.360 nan 0.000 0.452 238 A N 2.343 125.203 122.820 0.067 0.000 1.902 238 A HA -0.265 4.061 4.320 0.011 0.000 0.217 238 A C 2.100 179.722 177.584 0.063 0.000 1.181 238 A CA 1.982 54.061 52.037 0.070 0.000 0.623 238 A CB -0.532 18.501 19.000 0.055 0.000 0.818 238 A HN 0.247 nan 8.150 nan 0.000 0.443 239 K N -0.427 119.998 120.400 0.041 0.000 2.057 239 K HA -0.146 4.181 4.320 0.011 0.000 0.207 239 K C 1.995 178.707 176.600 0.187 0.000 1.049 239 K CA 1.514 57.854 56.287 0.088 0.000 0.931 239 K CB -0.344 32.157 32.500 0.000 0.000 0.714 239 K HN 0.345 nan 8.250 nan 0.000 0.440 240 R N 0.043 120.605 120.500 0.104 0.000 2.152 240 R HA -0.006 4.341 4.340 0.011 0.000 0.232 240 R C 2.395 178.734 176.300 0.066 0.000 1.117 240 R CA 1.713 57.944 56.100 0.217 0.000 0.981 240 R CB -0.262 30.084 30.300 0.077 0.000 0.870 240 R HN 0.320 nan 8.270 nan 0.000 0.451 241 M N -0.500 119.113 119.600 0.021 0.000 2.160 241 M HA -0.139 4.348 4.480 0.011 0.000 0.264 241 M C 1.953 178.220 176.300 -0.055 0.000 1.073 241 M CA 1.496 56.790 55.300 -0.009 0.000 1.142 241 M CB 0.120 32.761 32.600 0.068 0.000 1.358 241 M HN 0.204 nan 8.290 nan 0.000 0.422 242 C N 0.148 119.453 119.300 0.008 0.000 2.435 242 C HA -0.009 4.457 4.460 0.011 0.000 0.279 242 C C 2.714 177.651 174.990 -0.087 0.000 1.321 242 C CA 0.779 59.823 59.018 0.044 0.000 1.752 242 C CB -1.924 25.891 27.740 0.125 0.000 1.959 242 C HN 0.799 nan 8.230 nan 0.000 0.500 243 G N 0.636 109.318 108.800 -0.197 0.000 2.446 243 G HA2 -0.243 3.724 3.960 0.011 0.000 0.217 243 G HA3 -0.243 3.724 3.960 0.011 0.000 0.217 243 G C 1.528 175.786 174.900 -1.069 0.000 1.168 243 G CA 1.189 45.971 45.100 -0.530 0.000 0.771 243 G HN 0.489 nan 8.290 nan 0.000 0.551 244 L N 0.342 120.819 121.223 -1.244 0.000 2.109 244 L HA 0.215 4.561 4.340 0.011 0.000 0.207 244 L C 2.643 179.324 176.870 -0.315 0.000 1.086 244 L CA 1.158 55.514 54.840 -0.808 0.000 0.760 244 L CB -0.348 41.450 42.059 -0.436 0.000 0.910 244 L HN 0.197 nan 8.230 nan 0.000 0.437 245 L N -1.052 120.051 121.223 -0.200 0.000 2.127 245 L HA -0.242 4.105 4.340 0.011 0.000 0.211 245 L C 2.498 179.227 176.870 -0.235 0.000 1.089 245 L CA 1.135 55.954 54.840 -0.035 0.000 0.757 245 L CB -0.565 41.592 42.059 0.164 0.000 0.899 245 L HN 0.395 nan 8.230 nan 0.000 0.434 246 L N -0.016 120.875 121.223 -0.554 0.000 1.973 246 L HA -0.159 4.187 4.340 0.011 0.000 0.208 246 L C 2.604 179.113 176.870 -0.601 0.000 1.073 246 L CA 1.880 56.048 54.840 -1.119 0.000 0.746 246 L CB -0.111 41.480 42.059 -0.780 0.000 0.891 246 L HN 0.242 nan 8.230 nan 0.000 0.433 247 V N -2.697 117.016 119.914 -0.334 0.000 2.667 247 V HA 0.012 4.138 4.120 0.011 0.000 0.252 247 V C 2.297 178.360 176.094 -0.052 0.000 1.065 247 V CA 1.351 63.569 62.300 -0.137 0.000 1.083 247 V CB -1.397 30.453 31.823 0.046 0.000 0.692 247 V HN 0.474 nan 8.190 nan 0.000 0.468 248 G N 0.925 109.698 108.800 -0.044 0.000 2.442 248 G HA2 -0.085 3.882 3.960 0.011 0.000 0.219 248 G HA3 -0.085 3.882 3.960 0.011 0.000 0.219 248 G C 1.395 176.312 174.900 0.028 0.000 1.141 248 G CA 0.799 45.920 45.100 0.035 0.000 0.763 248 G HN 0.848 nan 8.290 nan 0.000 0.554 249 G N -0.480 108.311 108.800 -0.015 0.000 3.189 249 G HA2 0.382 4.349 3.960 0.011 0.000 0.225 249 G HA3 0.382 4.349 3.960 0.011 0.000 0.225 249 G C 1.304 176.202 174.900 -0.004 0.000 1.159 249 G CA -0.152 44.953 45.100 0.010 0.000 0.763 249 G HN 0.379 nan 8.290 nan 0.000 0.549 250 L N -0.513 120.692 121.223 -0.031 0.000 2.228 250 L HA 0.203 4.549 4.340 0.011 0.000 0.196 250 L C 2.145 179.018 176.870 0.005 0.000 1.162 250 L CA 0.386 55.206 54.840 -0.032 0.000 0.801 250 L CB -0.458 41.554 42.059 -0.078 0.000 0.983 250 L HN -0.086 nan 8.230 nan 0.000 0.471 251 D N 0.247 120.647 120.400 0.001 0.000 2.149 251 D HA -0.168 4.479 4.640 0.011 0.000 0.198 251 D C 2.187 178.513 176.300 0.043 0.000 0.990 251 D CA 1.964 55.971 54.000 0.011 0.000 0.839 251 D CB -0.263 40.537 40.800 0.001 0.000 0.948 251 D HN 0.429 nan 8.370 nan 0.000 0.460 252 T N -1.371 113.218 114.554 0.058 0.000 2.635 252 T HA -0.174 4.183 4.350 0.011 0.000 0.267 252 T C 2.163 176.953 174.700 0.151 0.000 1.040 252 T CA 1.622 63.776 62.100 0.089 0.000 1.156 252 T CB -0.884 68.028 68.868 0.074 0.000 0.863 252 T HN 0.006 nan 8.240 nan 0.000 0.430 253 V N 1.251 121.253 119.914 0.146 0.000 2.379 253 V HA -0.086 4.041 4.120 0.011 0.000 0.245 253 V C 2.987 179.212 176.094 0.219 0.000 1.044 253 V CA 1.167 63.598 62.300 0.218 0.000 1.036 253 V CB -0.659 31.275 31.823 0.186 0.000 0.664 253 V HN 0.393 nan 8.190 nan 0.000 0.453 254 V N 1.085 121.075 119.914 0.126 0.000 2.252 254 V HA -0.282 3.844 4.120 0.011 0.000 0.249 254 V C 2.303 178.421 176.094 0.039 0.000 1.056 254 V CA 2.433 64.778 62.300 0.075 0.000 1.022 254 V CB -0.845 30.984 31.823 0.010 0.000 0.641 254 V HN 0.582 nan 8.190 nan 0.000 0.445 255 N N -0.659 118.049 118.700 0.014 0.000 2.250 255 N HA -0.082 4.664 4.740 0.011 0.000 0.181 255 N C 1.602 177.058 175.510 -0.089 0.000 1.017 255 N CA 1.169 54.137 53.050 -0.136 0.000 0.866 255 N CB -0.470 37.961 38.487 -0.094 0.000 0.985 255 N HN 0.518 nan 8.380 nan 0.000 0.429 256 F N 1.865 121.851 119.950 0.059 0.000 2.113 256 F HA 0.020 4.554 4.527 0.011 0.000 0.297 256 F C 1.982 177.850 175.800 0.113 0.000 1.103 256 F CA 0.971 59.070 58.000 0.166 0.000 1.248 256 F CB -0.374 38.697 39.000 0.118 0.000 0.999 256 F HN -0.096 nan 8.300 nan 0.000 0.475 257 L N -0.543 120.701 121.223 0.034 0.000 2.079 257 L HA -0.264 4.082 4.340 0.011 0.000 0.210 257 L C 2.523 179.325 176.870 -0.113 0.000 1.081 257 L CA 1.495 56.335 54.840 -0.001 0.000 0.752 257 L CB -0.990 41.267 42.059 0.330 0.000 0.896 257 L HN 0.114 nan 8.230 nan 0.000 0.433 258 S N -0.328 115.340 115.700 -0.053 0.000 2.356 258 S HA -0.151 4.325 4.470 0.011 0.000 0.223 258 S C 1.777 176.136 174.600 -0.403 0.000 1.032 258 S CA 1.337 59.437 58.200 -0.167 0.000 1.005 258 S CB -0.388 62.685 63.200 -0.211 0.000 0.867 258 S HN 0.211 nan 8.310 nan 0.000 0.449 259 F N 2.202 121.891 119.950 -0.435 0.000 2.095 259 F HA -0.115 4.419 4.527 0.011 0.000 0.298 259 F C 2.812 178.071 175.800 -0.901 0.000 1.104 259 F CA 0.936 58.523 58.000 -0.688 0.000 1.232 259 F CB -1.114 37.472 39.000 -0.689 0.000 0.987 259 F HN 0.100 nan 8.300 nan 0.000 0.475 260 S N -0.334 114.987 115.700 -0.632 0.000 2.356 260 S HA -0.195 4.281 4.470 0.011 0.000 0.223 260 S C 2.118 176.510 174.600 -0.347 0.000 1.032 260 S CA 1.316 59.215 58.200 -0.501 0.000 1.005 260 S CB -0.267 62.617 63.200 -0.527 0.000 0.867 260 S HN 0.197 nan 8.310 nan 0.000 0.449 261 M N 1.156 120.444 119.600 -0.521 0.000 2.229 261 M HA -0.003 4.483 4.480 0.011 0.000 0.264 261 M C 2.191 178.288 176.300 -0.339 0.000 1.063 261 M CA 1.097 56.019 55.300 -0.630 0.000 1.114 261 M CB -1.215 30.522 32.600 -1.438 0.000 1.387 261 M HN 0.431 nan 8.290 nan 0.000 0.420 262 E N -0.038 119.987 120.200 -0.292 0.000 2.051 262 E HA -0.239 4.117 4.350 0.011 0.000 0.192 262 E C 1.985 178.531 176.600 -0.090 0.000 0.991 262 E CA 1.285 57.600 56.400 -0.142 0.000 0.799 262 E CB -0.185 29.465 29.700 -0.084 0.000 0.748 262 E HN 0.351 nan 8.360 nan 0.000 0.449 263 F N 1.474 121.252 119.950 -0.288 0.000 2.069 263 F HA -0.198 4.335 4.527 0.011 0.000 0.298 263 F C 2.012 177.746 175.800 -0.111 0.000 1.113 263 F CA 1.563 59.453 58.000 -0.183 0.000 1.214 263 F CB -0.370 38.519 39.000 -0.184 0.000 0.978 263 F HN -0.002 nan 8.300 nan 0.000 0.474 264 L N -0.055 121.039 121.223 -0.216 0.000 2.131 264 L HA -0.177 4.170 4.340 0.011 0.000 0.210 264 L C 2.744 179.367 176.870 -0.413 0.000 1.092 264 L CA 1.057 55.724 54.840 -0.288 0.000 0.759 264 L CB -1.194 40.873 42.059 0.014 0.000 0.903 264 L HN 0.285 nan 8.230 nan 0.000 0.435 265 A N 0.052 122.732 122.820 -0.233 0.000 1.969 265 A HA -0.160 4.166 4.320 0.011 0.000 0.218 265 A C 2.151 179.586 177.584 -0.249 0.000 1.169 265 A CA 1.336 53.218 52.037 -0.258 0.000 0.635 265 A CB -0.208 18.846 19.000 0.090 0.000 0.810 265 A HN 0.339 nan 8.150 nan 0.000 0.445 266 K N -0.720 119.534 120.400 -0.243 0.000 2.404 266 K HA 0.168 4.494 4.320 0.011 0.000 0.194 266 K C 0.100 176.528 176.600 -0.287 0.000 1.023 266 K CA 0.302 56.467 56.287 -0.202 0.000 1.094 266 K CB 0.338 32.768 32.500 -0.117 0.000 0.841 266 K HN 0.201 nan 8.250 nan 0.000 0.523 267 S N 1.156 116.599 115.700 -0.428 0.000 2.216 267 S HA 0.258 4.735 4.470 0.011 0.000 0.156 267 S C -2.334 172.105 174.600 -0.269 0.000 1.665 267 S CA -1.580 56.377 58.200 -0.404 0.000 1.262 267 S CB 0.631 63.336 63.200 -0.824 0.000 1.207 267 S HN -0.097 nan 8.310 nan 0.000 0.427 268 P HA -0.111 nan 4.420 nan 0.000 0.218 268 P C 1.184 178.421 177.300 -0.105 0.000 1.148 268 P CA 1.003 64.005 63.100 -0.164 0.000 0.822 268 P CB 0.229 31.854 31.700 -0.125 0.000 0.784 269 E N -1.441 118.706 120.200 -0.089 0.000 2.158 269 E HA -0.154 4.203 4.350 0.011 0.000 0.191 269 E C 1.852 178.369 176.600 -0.139 0.000 0.982 269 E CA 1.162 57.497 56.400 -0.110 0.000 0.823 269 E CB -0.890 28.726 29.700 -0.139 0.000 0.766 269 E HN 0.501 nan 8.360 nan 0.000 0.468 270 H N 0.567 119.580 119.070 -0.094 0.000 2.403 270 H HA 0.132 4.694 4.556 0.010 0.000 0.298 270 H C 2.239 177.662 175.328 0.160 0.000 1.059 270 H CA 1.008 57.073 56.048 0.028 0.000 1.363 270 H CB 0.158 29.878 29.762 -0.070 0.000 1.410 270 H HN -0.028 nan 8.280 nan 0.000 0.528 271 R N 0.240 120.803 120.500 0.104 0.000 2.080 271 R HA -0.197 4.149 4.340 0.011 0.000 0.236 271 R C 2.205 178.542 176.300 0.062 0.000 1.137 271 R CA 1.672 57.800 56.100 0.047 0.000 0.943 271 R CB -0.200 30.027 30.300 -0.121 0.000 0.846 271 R HN 0.254 nan 8.270 nan 0.000 0.431 272 Q N 0.915 120.726 119.800 0.018 0.000 2.170 272 Q HA -0.172 4.175 4.340 0.011 0.000 0.203 272 Q C 1.720 177.747 176.000 0.046 0.000 0.976 272 Q CA 1.638 57.451 55.803 0.017 0.000 0.858 272 Q CB -0.103 28.628 28.738 -0.012 0.000 0.907 272 Q HN 0.326 nan 8.270 nan 0.000 0.433 273 E N -0.665 119.578 120.200 0.072 0.000 2.085 273 E HA -0.182 4.175 4.350 0.011 0.000 0.194 273 E C 1.693 178.369 176.600 0.127 0.000 0.994 273 E CA 1.214 57.679 56.400 0.108 0.000 0.801 273 E CB -0.088 29.710 29.700 0.164 0.000 0.743 273 E HN 0.420 nan 8.360 nan 0.000 0.453 274 L N 0.254 121.567 121.223 0.150 0.000 2.179 274 L HA -0.074 4.272 4.340 0.011 0.000 0.208 274 L C 2.411 179.319 176.870 0.064 0.000 1.096 274 L CA 0.367 55.261 54.840 0.091 0.000 0.779 274 L CB -0.201 41.908 42.059 0.083 0.000 0.922 274 L HN 0.204 nan 8.230 nan 0.000 0.443 275 I N 0.019 120.628 120.570 0.066 0.000 2.202 275 I HA -0.253 3.923 4.170 0.011 0.000 0.242 275 I C 2.386 178.525 176.117 0.037 0.000 1.091 275 I CA 1.392 62.720 61.300 0.048 0.000 1.368 275 I CB -0.135 37.890 38.000 0.042 0.000 1.058 275 I HN 0.212 nan 8.210 nan 0.000 0.410 276 E N 0.513 120.735 120.200 0.037 0.000 2.150 276 E HA -0.062 4.294 4.350 0.011 0.000 0.193 276 E C 0.463 177.083 176.600 0.033 0.000 0.985 276 E CA 0.717 57.136 56.400 0.030 0.000 0.814 276 E CB 0.208 29.924 29.700 0.027 0.000 0.752 276 E HN 0.359 nan 8.360 nan 0.000 0.466 277 R N 0.312 120.836 120.500 0.041 0.000 2.585 277 R HA 0.166 4.513 4.340 0.011 0.000 0.278 277 R C -2.348 173.972 176.300 0.033 0.000 1.663 277 R CA -1.318 54.805 56.100 0.038 0.000 1.592 277 R CB 1.099 31.426 30.300 0.046 0.000 1.200 277 R HN 0.006 nan 8.270 nan 0.000 0.611 278 P HA -0.210 nan 4.420 nan 0.000 0.222 278 P C 1.248 178.557 177.300 0.015 0.000 1.147 278 P CA 1.019 64.131 63.100 0.021 0.000 0.790 278 P CB 0.295 32.008 31.700 0.023 0.000 0.780 279 E N 0.689 120.900 120.200 0.018 0.000 2.333 279 E HA -0.183 4.173 4.350 0.011 0.000 0.198 279 E C 1.522 178.129 176.600 0.013 0.000 1.007 279 E CA 1.044 57.455 56.400 0.018 0.000 0.845 279 E CB -0.687 29.026 29.700 0.022 0.000 0.766 279 E HN 0.295 nan 8.360 nan 0.000 0.507 280 R N 0.219 120.723 120.500 0.007 0.000 2.313 280 R HA 0.218 4.564 4.340 0.011 0.000 0.199 280 R C 2.304 178.557 176.300 -0.078 0.000 0.958 280 R CA 0.215 56.310 56.100 -0.009 0.000 1.047 280 R CB -0.173 30.138 30.300 0.019 0.000 0.955 280 R HN 0.225 nan 8.270 nan 0.000 0.481 281 I N 1.390 121.921 120.570 -0.066 0.000 2.127 281 I HA -0.211 3.965 4.170 0.011 0.000 0.241 281 I C -0.816 175.262 176.117 -0.065 0.000 1.075 281 I CA 1.377 62.622 61.300 -0.093 0.000 1.334 281 I CB -1.096 36.883 38.000 -0.036 0.000 1.040 281 I HN 0.031 nan 8.210 nan 0.000 0.405 282 P HA -0.215 nan 4.420 nan 0.000 0.216 282 P C 1.443 178.752 177.300 0.016 0.000 1.153 282 P CA 2.004 65.116 63.100 0.020 0.000 0.858 282 P CB -0.046 31.675 31.700 0.034 0.000 0.789 283 A N -0.252 122.567 122.820 -0.002 0.000 1.930 283 A HA -0.040 4.286 4.320 0.011 0.000 0.217 283 A C 2.317 179.892 177.584 -0.016 0.000 1.175 283 A CA 1.880 53.929 52.037 0.019 0.000 0.627 283 A CB -1.534 17.490 19.000 0.041 0.000 0.815 283 A HN 0.189 nan 8.150 nan 0.000 0.443 284 A N -0.882 121.818 122.820 -0.200 0.000 1.933 284 A HA -0.206 4.120 4.320 0.011 0.000 0.218 284 A C 2.384 179.875 177.584 -0.155 0.000 1.175 284 A CA 1.660 53.391 52.037 -0.510 0.000 0.628 284 A CB -1.474 16.724 19.000 -1.336 0.000 0.814 284 A HN 0.901 nan 8.150 nan 0.000 0.444 285 C N -0.504 118.764 119.300 -0.052 0.000 2.398 285 C HA -0.157 4.309 4.460 0.011 0.000 0.276 285 C C 2.573 177.636 174.990 0.123 0.000 1.222 285 C CA 1.960 61.036 59.018 0.097 0.000 1.746 285 C CB -1.053 26.751 27.740 0.108 0.000 2.039 285 C HN 0.675 nan 8.230 nan 0.000 0.470 286 E N 0.642 120.896 120.200 0.091 0.000 2.077 286 E HA -0.183 4.174 4.350 0.011 0.000 0.193 286 E C 2.052 178.698 176.600 0.077 0.000 0.989 286 E CA 1.898 58.359 56.400 0.101 0.000 0.800 286 E CB -0.392 29.390 29.700 0.136 0.000 0.746 286 E HN 0.810 nan 8.360 nan 0.000 0.452 287 E N -0.266 120.000 120.200 0.110 0.000 2.152 287 E HA -0.065 4.291 4.350 0.011 0.000 0.192 287 E C 1.913 178.546 176.600 0.055 0.000 0.983 287 E CA 0.849 57.312 56.400 0.104 0.000 0.818 287 E CB -0.252 29.576 29.700 0.215 0.000 0.758 287 E HN 0.328 nan 8.360 nan 0.000 0.467 288 L N 0.070 121.389 121.223 0.160 0.000 2.056 288 L HA -0.133 4.213 4.340 0.011 0.000 0.207 288 L C 2.500 179.585 176.870 0.358 0.000 1.078 288 L CA 0.877 55.869 54.840 0.254 0.000 0.749 288 L CB -0.462 41.812 42.059 0.359 0.000 0.901 288 L HN 0.214 nan 8.230 nan 0.000 0.433 289 L N -0.428 120.922 121.223 0.212 0.000 2.043 289 L HA -0.274 4.072 4.340 0.011 0.000 0.212 289 L C 2.903 179.536 176.870 -0.396 0.000 1.075 289 L CA 1.381 56.049 54.840 -0.287 0.000 0.752 289 L CB -0.500 41.203 42.059 -0.593 0.000 0.891 289 L HN 0.296 nan 8.230 nan 0.000 0.432 290 R N 0.133 120.441 120.500 -0.321 0.000 2.061 290 R HA -0.205 4.141 4.340 0.011 0.000 0.230 290 R C 2.501 178.646 176.300 -0.259 0.000 1.140 290 R CA 1.571 57.523 56.100 -0.247 0.000 0.940 290 R CB -0.153 30.101 30.300 -0.077 0.000 0.839 290 R HN 0.068 nan 8.270 nan 0.000 0.429 291 R N 0.040 120.336 120.500 -0.340 0.000 2.081 291 R HA -0.100 4.247 4.340 0.011 0.000 0.235 291 R C 0.697 176.505 176.300 -0.820 0.000 1.131 291 R CA 1.654 57.360 56.100 -0.657 0.000 0.960 291 R CB -0.303 29.402 30.300 -0.992 0.000 0.856 291 R HN 0.252 nan 8.270 nan 0.000 0.436 292 F N 0.200 120.037 119.950 -0.188 0.000 2.850 292 F HA 0.429 4.962 4.527 0.010 0.000 0.306 292 F C 0.376 176.054 175.800 -0.204 0.000 1.162 292 F CA -0.553 57.259 58.000 -0.314 0.000 1.327 292 F CB -0.090 38.719 39.000 -0.318 0.000 0.953 292 F HN -0.146 nan 8.300 nan 0.000 0.507 293 S N 1.691 117.305 115.700 -0.144 0.000 2.558 293 S HA 0.205 4.681 4.470 0.011 0.000 0.287 293 S C 0.961 175.416 174.600 -0.241 0.000 1.321 293 S CA 0.104 58.175 58.200 -0.215 0.000 1.048 293 S CB 0.417 63.460 63.200 -0.263 0.000 0.844 293 S HN 0.575 nan 8.310 nan 0.000 0.512 294 L N 2.391 123.497 121.223 -0.196 0.000 3.515 294 L HA 0.560 4.906 4.340 0.011 0.000 0.322 294 L C -0.803 175.954 176.870 -0.189 0.000 1.225 294 L CA -0.505 54.241 54.840 -0.157 0.000 1.104 294 L CB 0.216 42.352 42.059 0.128 0.000 1.506 294 L HN 0.341 nan 8.230 nan 0.000 0.624 295 V N 2.086 121.877 119.914 -0.205 0.000 2.539 295 V HA 0.799 4.925 4.120 0.011 0.000 0.292 295 V C 0.381 176.349 176.094 -0.211 0.000 1.045 295 V CA 0.124 62.326 62.300 -0.162 0.000 0.945 295 V CB 1.389 33.153 31.823 -0.097 0.000 0.993 295 V HN 0.350 nan 8.190 nan 0.000 0.464 296 A N 3.505 126.228 122.820 -0.161 0.000 2.745 296 A HA 0.657 4.983 4.320 0.011 0.000 0.301 296 A C -0.533 177.080 177.584 0.049 0.000 1.188 296 A CA -0.665 51.323 52.037 -0.082 0.000 0.746 296 A CB 0.388 19.276 19.000 -0.187 0.000 1.207 296 A HN 0.849 nan 8.150 nan 0.000 0.432 297 D N 1.326 121.804 120.400 0.130 0.000 2.589 297 D HA 0.851 5.498 4.640 0.011 0.000 0.268 297 D C 0.549 176.970 176.300 0.200 0.000 1.182 297 D CA 0.078 54.203 54.000 0.208 0.000 1.087 297 D CB 1.043 42.044 40.800 0.334 0.000 1.186 297 D HN 0.766 nan 8.370 nan 0.000 0.620 298 G N -1.926 106.971 108.800 0.162 0.000 2.578 298 G HA2 0.551 4.517 3.960 0.011 0.000 0.302 298 G HA3 0.551 4.517 3.960 0.011 0.000 0.302 298 G C -1.199 173.733 174.900 0.053 0.000 1.243 298 G CA -0.778 44.371 45.100 0.082 0.000 0.843 298 G HN 0.446 nan 8.290 nan 0.000 0.486 299 R N -1.178 119.350 120.500 0.048 0.000 2.817 299 R HA 0.639 4.985 4.340 0.011 0.000 0.268 299 R C -1.438 174.945 176.300 0.138 0.000 1.027 299 R CA -0.771 55.386 56.100 0.096 0.000 0.928 299 R CB 1.815 32.206 30.300 0.153 0.000 1.228 299 R HN 0.618 nan 8.270 nan 0.000 0.469 300 I N 1.464 122.113 120.570 0.133 0.000 2.474 300 I HA 0.267 4.443 4.170 0.011 0.000 0.294 300 I C -0.548 175.632 176.117 0.105 0.000 1.005 300 I CA -1.030 60.349 61.300 0.132 0.000 1.113 300 I CB 1.199 39.251 38.000 0.086 0.000 1.289 300 I HN 0.240 nan 8.210 nan 0.000 0.436 301 L N 6.794 128.080 121.223 0.104 0.000 2.477 301 L HA 0.071 4.417 4.340 0.011 0.000 0.272 301 L C 1.614 178.473 176.870 -0.018 0.000 1.157 301 L CA 0.565 55.396 54.840 -0.015 0.000 0.889 301 L CB 0.840 42.921 42.059 0.035 0.000 1.158 301 L HN 0.814 nan 8.230 nan 0.000 0.473 302 T N -1.298 113.214 114.554 -0.070 0.000 3.067 302 T HA 0.035 4.391 4.350 0.011 0.000 0.261 302 T C 0.801 175.484 174.700 -0.029 0.000 1.110 302 T CA 0.515 62.590 62.100 -0.042 0.000 1.113 302 T CB 0.186 69.010 68.868 -0.072 0.000 0.917 302 T HN 0.628 nan 8.240 nan 0.000 0.499 303 S N -0.270 115.413 115.700 -0.028 0.000 2.643 303 S HA 0.491 4.967 4.470 0.011 0.000 0.270 303 S C -2.047 172.550 174.600 -0.004 0.000 1.166 303 S CA -1.091 57.105 58.200 -0.005 0.000 0.815 303 S CB 1.149 64.358 63.200 0.015 0.000 1.139 303 S HN 0.045 nan 8.310 nan 0.000 0.472 304 D N 1.037 121.440 120.400 0.003 0.000 2.443 304 D HA 0.485 5.131 4.640 0.011 0.000 0.239 304 D C -0.922 175.407 176.300 0.048 0.000 1.136 304 D CA 1.065 55.068 54.000 0.006 0.000 0.879 304 D CB 0.120 40.916 40.800 -0.007 0.000 1.195 304 D HN 0.530 nan 8.370 nan 0.000 0.443 305 Y N 0.445 120.642 120.300 -0.171 0.000 2.424 305 Y HA 0.162 4.719 4.550 0.010 0.000 0.323 305 Y C -1.225 174.578 175.900 -0.161 0.000 1.174 305 Y CA -0.972 56.965 58.100 -0.271 0.000 1.060 305 Y CB 1.181 39.292 38.460 -0.581 0.000 1.314 305 Y HN 0.339 nan 8.280 nan 0.000 0.439 306 E N 5.828 125.719 120.200 -0.516 0.000 2.194 306 E HA 0.357 4.714 4.350 0.011 0.000 0.284 306 E C -1.848 174.279 176.600 -0.789 0.000 1.035 306 E CA -0.424 55.687 56.400 -0.481 0.000 0.836 306 E CB 0.577 30.118 29.700 -0.264 0.000 1.070 306 E HN 0.437 nan 8.360 nan 0.000 0.401 307 F N 5.430 124.981 119.950 -0.664 0.000 2.460 307 F HA 0.247 4.780 4.527 0.010 0.000 0.341 307 F C -0.412 175.293 175.800 -0.159 0.000 1.130 307 F CA -0.660 57.069 58.000 -0.452 0.000 0.962 307 F CB 0.545 39.431 39.000 -0.190 0.000 1.171 307 F HN 0.642 nan 8.300 nan 0.000 0.436 308 H N 4.353 123.096 119.070 -0.544 0.000 2.604 308 H HA -0.196 4.366 4.556 0.010 0.000 0.321 308 H C 1.438 176.614 175.328 -0.253 0.000 1.132 308 H CA 1.190 56.976 56.048 -0.437 0.000 1.129 308 H CB -0.988 28.419 29.762 -0.592 0.000 1.526 308 H HN 1.181 nan 8.280 nan 0.000 0.415 309 G N -1.110 107.599 108.800 -0.152 0.000 2.184 309 G HA2 -0.330 3.636 3.960 0.011 0.000 0.264 309 G HA3 -0.330 3.636 3.960 0.011 0.000 0.264 309 G C 0.310 175.169 174.900 -0.069 0.000 0.975 309 G CA 0.338 45.385 45.100 -0.089 0.000 0.642 309 G HN 0.491 nan 8.290 nan 0.000 0.536 310 V N 1.519 121.368 119.914 -0.107 0.000 2.398 310 V HA 0.497 4.623 4.120 0.011 0.000 0.286 310 V C 0.239 176.244 176.094 -0.150 0.000 1.026 310 V CA -0.977 61.249 62.300 -0.124 0.000 0.868 310 V CB 1.845 33.531 31.823 -0.228 0.000 0.982 310 V HN 0.259 nan 8.190 nan 0.000 0.443 311 Q N 4.623 124.390 119.800 -0.054 0.000 2.323 311 Q HA 0.441 4.788 4.340 0.011 0.000 0.257 311 Q C -0.767 175.281 176.000 0.080 0.000 1.022 311 Q CA 0.122 55.924 55.803 -0.002 0.000 0.919 311 Q CB 1.134 29.912 28.738 0.067 0.000 1.220 311 Q HN 0.600 nan 8.270 nan 0.000 0.427 312 L N 2.321 123.536 121.223 -0.013 0.000 2.334 312 L HA 0.504 4.851 4.340 0.011 0.000 0.275 312 L C 0.122 177.043 176.870 0.086 0.000 1.036 312 L CA -0.964 53.932 54.840 0.093 0.000 0.807 312 L CB 1.001 43.024 42.059 -0.059 0.000 1.231 312 L HN 0.157 nan 8.230 nan 0.000 0.438 313 K N 1.674 122.137 120.400 0.105 0.000 2.207 313 K HA 0.295 4.621 4.320 0.011 0.000 0.255 313 K C -0.606 176.009 176.600 0.024 0.000 0.941 313 K CA -0.767 55.463 56.287 -0.095 0.000 0.825 313 K CB 1.533 33.731 32.500 -0.504 0.000 1.119 313 K HN 0.331 nan 8.250 nan 0.000 0.430 314 K N 0.807 121.205 120.400 -0.004 0.000 2.550 314 K HA 0.019 4.345 4.320 0.011 0.000 0.280 314 K C 0.691 177.324 176.600 0.055 0.000 0.987 314 K CA 1.620 57.919 56.287 0.021 0.000 1.048 314 K CB -0.105 32.397 32.500 0.004 0.000 0.879 314 K HN 0.703 nan 8.250 nan 0.000 0.491 315 G N 2.780 111.628 108.800 0.080 0.000 2.234 315 G HA2 -0.245 3.721 3.960 0.011 0.000 0.260 315 G HA3 -0.245 3.721 3.960 0.011 0.000 0.260 315 G C -0.326 174.682 174.900 0.180 0.000 0.987 315 G CA 0.300 45.465 45.100 0.107 0.000 0.625 315 G HN 0.765 nan 8.290 nan 0.000 0.532 316 D N 1.508 122.064 120.400 0.260 0.000 2.443 316 D HA 0.389 5.035 4.640 0.011 0.000 0.239 316 D C 0.918 177.450 176.300 0.387 0.000 1.136 316 D CA 0.562 54.824 54.000 0.436 0.000 0.879 316 D CB 0.489 41.728 40.800 0.732 0.000 1.195 316 D HN 0.528 nan 8.370 nan 0.000 0.443 317 Q N 0.878 120.893 119.800 0.358 0.000 2.230 317 Q HA 0.588 4.934 4.340 0.011 0.000 0.248 317 Q C -0.337 175.892 176.000 0.382 0.000 0.915 317 Q CA -0.583 55.382 55.803 0.270 0.000 0.900 317 Q CB 2.357 31.177 28.738 0.137 0.000 1.229 317 Q HN 0.468 nan 8.270 nan 0.000 0.439 318 I N 2.720 123.477 120.570 0.312 0.000 2.478 318 I HA 0.235 4.411 4.170 0.011 0.000 0.287 318 I C -1.546 174.661 176.117 0.150 0.000 1.042 318 I CA -1.110 60.388 61.300 0.331 0.000 1.067 318 I CB 1.146 39.340 38.000 0.323 0.000 1.233 318 I HN 0.493 nan 8.210 nan 0.000 0.431 319 L N 8.412 129.738 121.223 0.171 0.000 2.360 319 L HA 0.375 4.722 4.340 0.011 0.000 0.276 319 L C -1.094 175.826 176.870 0.084 0.000 1.121 319 L CA 0.398 55.302 54.840 0.105 0.000 0.845 319 L CB 0.655 42.808 42.059 0.156 0.000 1.143 319 L HN 0.552 nan 8.230 nan 0.000 0.452 320 L N 7.780 129.021 121.223 0.029 0.000 2.502 320 L HA 0.390 4.736 4.340 0.011 0.000 0.247 320 L C -2.225 174.734 176.870 0.148 0.000 1.180 320 L CA -1.653 53.159 54.840 -0.045 0.000 0.956 320 L CB 0.922 42.675 42.059 -0.510 0.000 1.282 320 L HN 0.500 nan 8.230 nan 0.000 0.470 321 P HA 0.126 nan 4.420 nan 0.000 0.269 321 P C 0.239 177.557 177.300 0.031 0.000 1.263 321 P CA -0.163 62.976 63.100 0.065 0.000 0.813 321 P CB 1.029 32.773 31.700 0.073 0.000 0.868 322 Q N 2.645 122.466 119.800 0.035 0.000 2.173 322 Q HA -0.225 4.121 4.340 0.011 0.000 0.208 322 Q C 1.889 177.829 176.000 -0.100 0.000 0.989 322 Q CA 1.774 57.568 55.803 -0.015 0.000 0.872 322 Q CB -0.613 28.079 28.738 -0.077 0.000 0.909 322 Q HN 0.518 nan 8.270 nan 0.000 0.420 323 M N -0.391 119.090 119.600 -0.199 0.000 2.106 323 M HA -0.220 4.266 4.480 0.011 0.000 0.259 323 M C 1.487 177.679 176.300 -0.179 0.000 1.068 323 M CA 1.608 56.750 55.300 -0.262 0.000 1.100 323 M CB -0.035 32.284 32.600 -0.468 0.000 1.351 323 M HN 0.302 nan 8.290 nan 0.000 0.404 324 L N -0.544 120.606 121.223 -0.121 0.000 2.240 324 L HA -0.117 4.229 4.340 0.011 0.000 0.211 324 L C 2.380 179.213 176.870 -0.061 0.000 1.106 324 L CA 0.597 55.395 54.840 -0.070 0.000 0.793 324 L CB -0.416 41.631 42.059 -0.020 0.000 0.927 324 L HN 0.337 nan 8.230 nan 0.000 0.446 325 S N 0.290 115.960 115.700 -0.050 0.000 2.359 325 S HA -0.156 4.321 4.470 0.011 0.000 0.224 325 S C 1.954 176.529 174.600 -0.043 0.000 1.035 325 S CA 1.489 59.663 58.200 -0.043 0.000 1.018 325 S CB -0.558 62.622 63.200 -0.034 0.000 0.876 325 S HN 0.601 nan 8.310 nan 0.000 0.448 326 G N 0.871 109.650 108.800 -0.035 0.000 2.511 326 G HA2 0.039 4.005 3.960 0.011 0.000 0.217 326 G HA3 0.039 4.005 3.960 0.011 0.000 0.217 326 G C 1.155 176.015 174.900 -0.067 0.000 1.133 326 G CA 0.129 45.214 45.100 -0.026 0.000 0.792 326 G HN 0.445 nan 8.290 nan 0.000 0.539 327 L N 0.362 121.532 121.223 -0.087 0.000 2.554 327 L HA 0.139 4.485 4.340 0.011 0.000 0.226 327 L C 0.643 177.472 176.870 -0.067 0.000 1.137 327 L CA -0.207 54.578 54.840 -0.093 0.000 0.863 327 L CB -0.054 41.944 42.059 -0.101 0.000 0.985 327 L HN 0.025 nan 8.230 nan 0.000 0.451 328 D N 1.762 122.126 120.400 -0.060 0.000 2.382 328 D HA -0.080 4.566 4.640 0.011 0.000 0.259 328 D C 1.392 177.664 176.300 -0.048 0.000 1.224 328 D CA 0.087 54.053 54.000 -0.055 0.000 0.894 328 D CB 0.978 41.744 40.800 -0.057 0.000 1.127 328 D HN 0.260 nan 8.370 nan 0.000 0.487 329 E N 4.498 124.671 120.200 -0.045 0.000 2.338 329 E HA -0.209 4.147 4.350 0.011 0.000 0.197 329 E C 1.033 177.613 176.600 -0.033 0.000 1.007 329 E CA 0.653 57.031 56.400 -0.036 0.000 0.849 329 E CB -0.151 29.529 29.700 -0.033 0.000 0.774 329 E HN 0.513 nan 8.360 nan 0.000 0.506 330 R N 0.780 121.257 120.500 -0.039 0.000 2.285 330 R HA -0.065 4.281 4.340 0.011 0.000 0.213 330 R C 1.894 178.174 176.300 -0.033 0.000 1.068 330 R CA 1.488 57.566 56.100 -0.036 0.000 1.004 330 R CB -0.053 30.220 30.300 -0.044 0.000 0.873 330 R HN 0.528 nan 8.270 nan 0.000 0.467 331 E N -1.045 119.135 120.200 -0.034 0.000 2.541 331 E HA 0.115 4.471 4.350 0.011 0.000 0.219 331 E C -0.293 176.295 176.600 -0.021 0.000 0.922 331 E CA -0.272 56.111 56.400 -0.028 0.000 1.095 331 E CB 0.553 30.232 29.700 -0.035 0.000 1.112 331 E HN 0.022 nan 8.360 nan 0.000 0.516 332 N N 1.616 120.302 118.700 -0.022 0.000 2.519 332 N HA 0.322 5.068 4.740 0.011 0.000 0.286 332 N C -1.068 174.433 175.510 -0.015 0.000 1.079 332 N CA -0.285 52.756 53.050 -0.014 0.000 0.878 332 N CB 1.982 40.459 38.487 -0.017 0.000 1.375 332 N HN 0.211 nan 8.380 nan 0.000 0.514 333 A N 1.646 124.462 122.820 -0.008 0.000 2.561 333 A HA 0.404 4.731 4.320 0.011 0.000 0.234 333 A C 1.059 178.640 177.584 -0.004 0.000 1.055 333 A CA 0.527 52.559 52.037 -0.009 0.000 0.756 333 A CB -0.182 18.815 19.000 -0.005 0.000 0.986 333 A HN 1.185 nan 8.150 nan 0.000 0.505 334 A N 2.998 125.811 122.820 -0.012 0.000 2.312 334 A HA -0.088 4.239 4.320 0.011 0.000 0.286 334 A C -0.594 176.995 177.584 0.009 0.000 1.425 334 A CA 0.665 52.699 52.037 -0.006 0.000 0.748 334 A CB -1.404 17.583 19.000 -0.023 0.000 1.126 334 A HN 0.798 nan 8.150 nan 0.000 0.368 335 P HA -0.163 nan 4.420 nan 0.000 0.220 335 P C 1.295 178.543 177.300 -0.087 0.000 1.148 335 P CA 1.126 64.195 63.100 -0.051 0.000 0.803 335 P CB -0.057 31.607 31.700 -0.060 0.000 0.782 336 M N -1.393 118.172 119.600 -0.060 0.000 2.619 336 M HA 0.013 4.500 4.480 0.011 0.000 0.251 336 M C 0.712 176.966 176.300 -0.076 0.000 1.106 336 M CA 0.436 55.682 55.300 -0.090 0.000 1.086 336 M CB -1.773 30.804 32.600 -0.039 0.000 1.465 336 M HN 0.055 nan 8.290 nan 0.000 0.506 337 H N 0.079 119.074 119.070 -0.126 0.000 2.527 337 H HA 0.390 4.952 4.556 0.010 0.000 0.321 337 H C -0.959 174.270 175.328 -0.166 0.000 1.087 337 H CA -0.400 55.586 56.048 -0.104 0.000 1.337 337 H CB 0.990 30.724 29.762 -0.047 0.000 1.440 337 H HN -0.185 nan 8.280 nan 0.000 0.490 338 V N 5.878 125.375 119.914 -0.695 0.000 2.408 338 V HA 0.113 4.240 4.120 0.011 0.000 0.267 338 V C -0.049 175.713 176.094 -0.554 0.000 1.047 338 V CA -0.183 61.730 62.300 -0.644 0.000 0.937 338 V CB 0.754 32.005 31.823 -0.953 0.000 0.999 338 V HN 0.795 nan 8.190 nan 0.000 0.472 339 D N 4.344 124.609 120.400 -0.225 0.000 2.440 339 D HA 0.330 4.976 4.640 0.011 0.000 0.252 339 D C 0.520 176.897 176.300 0.128 0.000 1.180 339 D CA -0.541 53.438 54.000 -0.035 0.000 0.894 339 D CB 1.101 41.971 40.800 0.115 0.000 1.111 339 D HN 0.259 nan 8.370 nan 0.000 0.544 340 F N 1.094 121.113 119.950 0.116 0.000 2.408 340 F HA -0.061 4.472 4.527 0.010 0.000 0.300 340 F C 2.051 177.897 175.800 0.077 0.000 1.090 340 F CA 0.499 58.560 58.000 0.103 0.000 1.427 340 F CB -0.483 38.599 39.000 0.135 0.000 1.070 340 F HN 0.239 nan 8.300 nan 0.000 0.549 341 S N -0.560 115.281 115.700 0.236 0.000 2.573 341 S HA 0.121 4.598 4.470 0.011 0.000 0.244 341 S C 0.743 175.414 174.600 0.118 0.000 0.984 341 S CA -0.528 57.763 58.200 0.151 0.000 1.001 341 S CB -0.253 63.016 63.200 0.116 0.000 0.788 341 S HN 0.163 nan 8.310 nan 0.000 0.456 342 R N 2.333 122.909 120.500 0.127 0.000 2.537 342 R HA 0.113 4.460 4.340 0.011 0.000 0.280 342 R C -0.279 176.069 176.300 0.080 0.000 1.058 342 R CA 0.247 56.404 56.100 0.094 0.000 1.057 342 R CB 0.355 30.709 30.300 0.089 0.000 0.973 342 R HN 0.368 nan 8.270 nan 0.000 0.438 343 Q N 3.167 123.004 119.800 0.061 0.000 2.235 343 Q HA 0.219 4.565 4.340 0.011 0.000 0.256 343 Q C -0.753 175.272 176.000 0.041 0.000 0.951 343 Q CA -0.842 54.991 55.803 0.050 0.000 0.890 343 Q CB 1.640 30.402 28.738 0.040 0.000 1.279 343 Q HN 0.485 nan 8.270 nan 0.000 0.444 344 K N 0.171 120.593 120.400 0.037 0.000 3.974 344 K HA -0.158 4.168 4.320 0.011 0.000 0.280 344 K C -1.069 175.550 176.600 0.031 0.000 0.949 344 K CA -0.073 56.230 56.287 0.027 0.000 0.817 344 K CB -1.545 30.965 32.500 0.017 0.000 1.535 344 K HN 0.393 nan 8.250 nan 0.000 0.444 345 V N 2.646 122.589 119.914 0.048 0.000 2.381 345 V HA 0.015 4.142 4.120 0.011 0.000 0.257 345 V C 0.812 176.933 176.094 0.045 0.000 1.057 345 V CA 0.245 62.587 62.300 0.070 0.000 1.013 345 V CB 0.784 32.677 31.823 0.117 0.000 1.069 345 V HN 0.529 nan 8.190 nan 0.000 0.484 346 S N 4.795 120.506 115.700 0.017 0.000 2.451 346 S HA 0.841 5.317 4.470 0.011 0.000 0.301 346 S C -0.635 173.963 174.600 -0.004 0.000 1.116 346 S CA -0.729 57.441 58.200 -0.050 0.000 1.093 346 S CB 1.487 64.660 63.200 -0.045 0.000 1.017 346 S HN 1.034 nan 8.310 nan 0.000 0.482 347 H N -1.400 117.651 119.070 -0.031 0.000 3.014 347 H HA 0.651 5.214 4.556 0.011 0.000 0.337 347 H C -0.522 174.779 175.328 -0.045 0.000 1.320 347 H CA -0.540 55.471 56.048 -0.061 0.000 1.128 347 H CB 0.819 30.526 29.762 -0.092 0.000 1.862 347 H HN 0.509 nan 8.280 nan 0.000 0.536 348 T N -1.854 112.767 114.554 0.112 0.000 3.313 348 T HA 0.178 4.534 4.350 0.011 0.000 0.263 348 T C 0.368 175.120 174.700 0.086 0.000 0.983 348 T CA -0.017 62.139 62.100 0.093 0.000 0.963 348 T CB -0.496 68.388 68.868 0.027 0.000 1.141 348 T HN 0.641 nan 8.240 nan 0.000 0.526 349 T N 1.199 115.851 114.554 0.164 0.000 2.833 349 T HA 0.048 4.404 4.350 0.011 0.000 0.269 349 T C 0.501 174.964 174.700 -0.395 0.000 1.054 349 T CA 1.150 63.075 62.100 -0.292 0.000 1.135 349 T CB -0.370 68.066 68.868 -0.720 0.000 0.869 349 T HN 0.520 nan 8.240 nan 0.000 0.466 350 F N 1.116 121.067 119.950 0.002 0.000 2.660 350 F HA 0.456 4.989 4.527 0.009 0.000 0.302 350 F C 1.641 177.402 175.800 -0.064 0.000 1.103 350 F CA -0.158 57.813 58.000 -0.049 0.000 1.340 350 F CB -0.444 38.526 39.000 -0.051 0.000 1.048 350 F HN 0.292 nan 8.300 nan 0.000 0.551 351 G N 0.021 108.839 108.800 0.030 0.000 2.587 351 G HA2 -0.069 3.897 3.960 0.011 0.000 0.212 351 G HA3 -0.069 3.897 3.960 0.011 0.000 0.212 351 G C -1.415 173.477 174.900 -0.014 0.000 1.327 351 G CA -0.517 44.511 45.100 -0.119 0.000 0.898 351 G HN 0.548 nan 8.290 nan 0.000 0.551 352 H N -1.150 117.778 119.070 -0.237 0.000 3.121 352 H HA 0.659 5.220 4.556 0.009 0.000 0.337 352 H C 0.523 175.853 175.328 0.004 0.000 1.198 352 H CA 1.871 57.877 56.048 -0.071 0.000 1.274 352 H CB 1.141 30.909 29.762 0.009 0.000 1.954 352 H HN 2.682 nan 8.280 nan 0.000 0.531 353 G N 1.378 109.885 108.800 -0.489 0.000 2.527 353 G HA2 -0.270 3.697 3.960 0.011 0.000 0.227 353 G HA3 -0.270 3.697 3.960 0.011 0.000 0.227 353 G C 1.221 176.066 174.900 -0.091 0.000 1.291 353 G CA 0.593 45.573 45.100 -0.199 0.000 0.904 353 G HN 1.457 nan 8.290 nan 0.000 0.577 354 S N -0.977 114.704 115.700 -0.032 0.000 2.442 354 S HA -0.078 4.399 4.470 0.011 0.000 0.236 354 S C 1.430 175.882 174.600 -0.247 0.000 1.007 354 S CA 1.967 60.070 58.200 -0.163 0.000 0.965 354 S CB -0.305 62.735 63.200 -0.268 0.000 0.773 354 S HN 0.754 nan 8.310 nan 0.000 0.504 355 H N 0.427 119.484 119.070 -0.021 0.000 2.517 355 H HA 0.338 4.900 4.556 0.011 0.000 0.282 355 H C 0.314 175.621 175.328 -0.035 0.000 1.023 355 H CA -0.467 55.573 56.048 -0.013 0.000 1.169 355 H CB -0.127 29.646 29.762 0.017 0.000 1.454 355 H HN 0.327 nan 8.280 nan 0.000 0.556 356 L N 1.965 123.197 121.223 0.015 0.000 2.678 356 L HA -0.125 4.221 4.340 0.011 0.000 0.285 356 L C 0.595 177.468 176.870 0.005 0.000 1.233 356 L CA 0.220 55.057 54.840 -0.004 0.000 0.920 356 L CB -0.038 41.996 42.059 -0.041 0.000 1.176 356 L HN 0.313 nan 8.230 nan 0.000 0.495 357 C N 6.285 125.607 119.300 0.036 0.000 2.298 357 C HA -0.072 4.394 4.460 0.011 0.000 0.395 357 C C 1.939 176.874 174.990 -0.091 0.000 1.526 357 C CA -0.046 58.983 59.018 0.018 0.000 1.458 357 C CB -1.334 26.470 27.740 0.107 0.000 2.506 357 C HN 0.923 nan 8.230 nan 0.000 0.604 358 L N 4.961 126.160 121.223 -0.041 0.000 2.313 358 L HA 0.120 4.466 4.340 0.011 0.000 0.214 358 L C 2.356 179.173 176.870 -0.089 0.000 1.119 358 L CA 1.338 56.147 54.840 -0.053 0.000 0.809 358 L CB -0.361 41.701 42.059 0.005 0.000 0.933 358 L HN 0.976 nan 8.230 nan 0.000 0.449 359 G N -0.616 108.126 108.800 -0.096 0.000 3.233 359 G HA2 -0.022 3.945 3.960 0.011 0.000 0.227 359 G HA3 -0.022 3.945 3.960 0.011 0.000 0.227 359 G C 1.273 176.022 174.900 -0.253 0.000 1.175 359 G CA -0.095 44.946 45.100 -0.099 0.000 0.781 359 G HN 0.508 nan 8.290 nan 0.000 0.542 360 Q N -0.434 119.024 119.800 -0.570 0.000 2.170 360 Q HA -0.145 4.201 4.340 0.011 0.000 0.203 360 Q C 1.780 177.303 176.000 -0.796 0.000 0.976 360 Q CA 1.241 56.320 55.803 -1.207 0.000 0.858 360 Q CB -0.412 27.308 28.738 -1.697 0.000 0.907 360 Q HN 0.458 nan 8.270 nan 0.000 0.433 361 H N 0.367 119.258 119.070 -0.299 0.000 2.372 361 H HA -0.023 4.539 4.556 0.010 0.000 0.301 361 H C 2.161 177.438 175.328 -0.085 0.000 1.065 361 H CA 1.252 57.204 56.048 -0.160 0.000 1.364 361 H CB -0.178 29.519 29.762 -0.108 0.000 1.406 361 H HN 0.256 nan 8.280 nan 0.000 0.521 362 L N 1.373 122.612 121.223 0.026 0.000 2.046 362 L HA -0.082 4.265 4.340 0.011 0.000 0.208 362 L C 2.559 179.453 176.870 0.040 0.000 1.077 362 L CA 1.817 56.674 54.840 0.029 0.000 0.747 362 L CB -0.874 41.195 42.059 0.017 0.000 0.896 362 L HN 0.177 nan 8.230 nan 0.000 0.432 363 A N -0.242 122.587 122.820 0.014 0.000 1.865 363 A HA -0.261 4.065 4.320 0.011 0.000 0.217 363 A C 2.433 180.106 177.584 0.148 0.000 1.191 363 A CA 2.087 54.185 52.037 0.103 0.000 0.623 363 A CB -0.642 18.466 19.000 0.180 0.000 0.826 363 A HN 0.525 nan 8.150 nan 0.000 0.444 364 R N -1.189 119.367 120.500 0.094 0.000 2.105 364 R HA -0.092 4.254 4.340 0.011 0.000 0.239 364 R C 2.447 178.836 176.300 0.148 0.000 1.135 364 R CA 1.235 57.416 56.100 0.136 0.000 0.967 364 R CB -0.292 30.070 30.300 0.103 0.000 0.861 364 R HN 0.370 nan 8.270 nan 0.000 0.442 365 R N 1.049 121.626 120.500 0.127 0.000 2.073 365 R HA -0.126 4.220 4.340 0.011 0.000 0.234 365 R C 2.025 178.449 176.300 0.207 0.000 1.134 365 R CA 1.420 57.604 56.100 0.140 0.000 0.952 365 R CB -0.367 29.997 30.300 0.107 0.000 0.850 365 R HN 0.445 nan 8.270 nan 0.000 0.433 366 E N 0.268 120.609 120.200 0.234 0.000 2.085 366 E HA -0.168 4.188 4.350 0.011 0.000 0.194 366 E C 2.099 178.972 176.600 0.455 0.000 0.994 366 E CA 1.231 57.874 56.400 0.406 0.000 0.801 366 E CB -0.186 29.703 29.700 0.315 0.000 0.743 366 E HN 0.313 nan 8.360 nan 0.000 0.453 367 I N 0.605 121.381 120.570 0.344 0.000 2.202 367 I HA -0.243 3.933 4.170 0.011 0.000 0.242 367 I C 2.350 178.602 176.117 0.225 0.000 1.091 367 I CA 0.965 62.459 61.300 0.323 0.000 1.368 367 I CB -0.168 38.050 38.000 0.364 0.000 1.058 367 I HN 0.062 nan 8.210 nan 0.000 0.410 368 I N 0.002 120.686 120.570 0.191 0.000 2.202 368 I HA -0.241 3.935 4.170 0.011 0.000 0.242 368 I C 2.541 178.733 176.117 0.126 0.000 1.091 368 I CA 1.131 62.511 61.300 0.133 0.000 1.368 368 I CB -0.277 37.789 38.000 0.111 0.000 1.058 368 I HN -0.005 nan 8.210 nan 0.000 0.410 369 V N 0.504 120.516 119.914 0.163 0.000 2.282 369 V HA -0.345 3.781 4.120 0.011 0.000 0.249 369 V C 2.504 178.679 176.094 0.135 0.000 1.057 369 V CA 2.605 65.002 62.300 0.163 0.000 1.032 369 V CB -1.040 30.921 31.823 0.230 0.000 0.645 369 V HN 0.483 nan 8.190 nan 0.000 0.447 370 T N 0.415 115.055 114.554 0.144 0.000 2.652 370 T HA -0.172 4.184 4.350 0.011 0.000 0.267 370 T C 1.866 176.577 174.700 0.018 0.000 1.039 370 T CA 1.815 63.941 62.100 0.043 0.000 1.153 370 T CB -0.346 68.549 68.868 0.045 0.000 0.863 370 T HN 0.311 nan 8.240 nan 0.000 0.428 371 L N 0.252 121.494 121.223 0.033 0.000 2.046 371 L HA -0.119 4.228 4.340 0.011 0.000 0.208 371 L C 2.687 179.594 176.870 0.061 0.000 1.077 371 L CA 1.469 56.323 54.840 0.023 0.000 0.747 371 L CB -0.471 41.600 42.059 0.019 0.000 0.896 371 L HN 0.221 nan 8.230 nan 0.000 0.432 372 K N -0.346 120.091 120.400 0.061 0.000 2.026 372 K HA -0.157 4.169 4.320 0.011 0.000 0.208 372 K C 2.124 178.755 176.600 0.051 0.000 1.048 372 K CA 1.209 57.529 56.287 0.055 0.000 0.929 372 K CB 0.026 32.559 32.500 0.055 0.000 0.713 372 K HN 0.184 nan 8.250 nan 0.000 0.439 373 E N -0.245 119.988 120.200 0.055 0.000 2.158 373 E HA -0.157 4.200 4.350 0.011 0.000 0.191 373 E C 1.622 178.219 176.600 -0.005 0.000 0.982 373 E CA 0.579 56.994 56.400 0.026 0.000 0.823 373 E CB -0.118 29.606 29.700 0.039 0.000 0.766 373 E HN 0.462 nan 8.360 nan 0.000 0.468 374 W N 1.300 122.494 121.300 -0.177 0.000 2.409 374 W HA -0.038 4.628 4.660 0.010 0.000 0.299 374 W C 1.680 178.087 176.519 -0.187 0.000 1.203 374 W CA 0.789 57.973 57.345 -0.268 0.000 1.298 374 W CB -0.217 28.997 29.460 -0.410 0.000 1.127 374 W HN 0.017 nan 8.180 nan 0.000 0.528 375 L N 0.125 121.462 121.223 0.190 0.000 2.217 375 L HA -0.168 4.178 4.340 0.011 0.000 0.211 375 L C 2.330 179.225 176.870 0.043 0.000 1.107 375 L CA 1.375 56.315 54.840 0.166 0.000 0.783 375 L CB -1.006 41.145 42.059 0.153 0.000 0.919 375 L HN -0.184 nan 8.230 nan 0.000 0.442 376 T N -0.795 113.756 114.554 -0.005 0.000 2.896 376 T HA -0.076 4.280 4.350 0.011 0.000 0.263 376 T C 2.060 176.706 174.700 -0.089 0.000 1.050 376 T CA 1.080 63.161 62.100 -0.033 0.000 1.140 376 T CB 0.045 68.899 68.868 -0.022 0.000 0.877 376 T HN 0.289 nan 8.240 nan 0.000 0.457 377 R N -0.073 120.320 120.500 -0.178 0.000 2.156 377 R HA 0.326 4.672 4.340 0.011 0.000 0.207 377 R C 0.379 176.466 176.300 -0.356 0.000 1.040 377 R CA 0.664 56.609 56.100 -0.258 0.000 1.013 377 R CB 0.412 30.519 30.300 -0.321 0.000 0.931 377 R HN 0.302 nan 8.270 nan 0.000 0.465 378 I N 1.857 122.142 120.570 -0.475 0.000 2.871 378 I HA 0.175 4.351 4.170 0.011 0.000 0.284 378 I C -1.989 174.085 176.117 -0.071 0.000 1.390 378 I CA -1.529 59.454 61.300 -0.529 0.000 0.958 378 I CB 2.029 39.237 38.000 -1.319 0.000 1.618 378 I HN -0.138 nan 8.210 nan 0.000 0.595 379 P HA -0.115 nan 4.420 nan 0.000 0.218 379 P C 0.209 177.598 177.300 0.149 0.000 1.149 379 P CA 1.306 64.479 63.100 0.121 0.000 0.817 379 P CB 0.268 31.995 31.700 0.045 0.000 0.785 380 D N -0.505 119.980 120.400 0.142 0.000 2.440 380 D HA 0.423 5.070 4.640 0.011 0.000 0.239 380 D C -0.867 175.584 176.300 0.251 0.000 1.084 380 D CA -0.754 53.294 54.000 0.079 0.000 0.843 380 D CB 0.490 41.323 40.800 0.055 0.000 1.097 380 D HN -0.103 nan 8.370 nan 0.000 0.531 381 F N 0.607 120.634 119.950 0.129 0.000 2.643 381 F HA 0.829 5.361 4.527 0.010 0.000 0.314 381 F C -0.912 174.968 175.800 0.132 0.000 1.096 381 F CA -0.995 57.138 58.000 0.222 0.000 0.953 381 F CB 1.417 40.589 39.000 0.287 0.000 1.345 381 F HN 0.082 nan 8.300 nan 0.000 0.468 382 S N 1.266 117.149 115.700 0.304 0.000 2.595 382 S HA 0.600 5.076 4.470 0.011 0.000 0.281 382 S C -0.931 173.785 174.600 0.194 0.000 1.117 382 S CA -0.774 57.504 58.200 0.130 0.000 0.873 382 S CB 1.774 65.021 63.200 0.079 0.000 1.108 382 S HN 0.567 nan 8.310 nan 0.000 0.477 383 I N 2.265 122.897 120.570 0.103 0.000 2.710 383 I HA 0.102 4.279 4.170 0.011 0.000 0.286 383 I C 1.123 177.290 176.117 0.083 0.000 1.181 383 I CA -0.156 61.199 61.300 0.092 0.000 1.430 383 I CB -0.399 37.629 38.000 0.047 0.000 1.367 383 I HN 0.820 nan 8.210 nan 0.000 0.577 384 A N 9.104 131.974 122.820 0.083 0.000 2.565 384 A HA 0.200 4.526 4.320 0.011 0.000 0.237 384 A C -2.079 175.527 177.584 0.037 0.000 1.053 384 A CA -0.596 51.474 52.037 0.056 0.000 0.755 384 A CB -0.925 18.102 19.000 0.046 0.000 0.980 384 A HN 0.519 nan 8.150 nan 0.000 0.506 385 P HA 0.300 nan 4.420 nan 0.000 0.268 385 P C 1.066 178.375 177.300 0.014 0.000 1.204 385 P CA 1.605 64.715 63.100 0.017 0.000 0.768 385 P CB 0.721 32.428 31.700 0.011 0.000 0.842 386 G N 1.866 110.673 108.800 0.013 0.000 2.205 386 G HA2 -0.213 3.754 3.960 0.011 0.000 0.261 386 G HA3 -0.213 3.754 3.960 0.011 0.000 0.261 386 G C 0.419 175.328 174.900 0.014 0.000 0.980 386 G CA 0.036 45.143 45.100 0.011 0.000 0.632 386 G HN 0.861 nan 8.290 nan 0.000 0.533 387 A N 0.199 123.030 122.820 0.019 0.000 2.366 387 A HA 0.663 4.989 4.320 0.011 0.000 0.272 387 A C 0.424 178.020 177.584 0.020 0.000 1.135 387 A CA 0.126 52.176 52.037 0.022 0.000 0.804 387 A CB 0.643 19.662 19.000 0.031 0.000 1.064 387 A HN 0.301 nan 8.150 nan 0.000 0.499 388 Q N 2.476 122.286 119.800 0.018 0.000 2.372 388 Q HA 0.281 4.628 4.340 0.011 0.000 0.259 388 Q C -0.724 175.286 176.000 0.017 0.000 0.993 388 Q CA -0.562 55.248 55.803 0.012 0.000 0.854 388 Q CB 0.989 29.731 28.738 0.007 0.000 1.231 388 Q HN 0.660 nan 8.270 nan 0.000 0.462 389 I N 3.978 124.559 120.570 0.019 0.000 2.517 389 I HA 0.014 4.190 4.170 0.011 0.000 0.285 389 I C 0.504 176.640 176.117 0.032 0.000 1.106 389 I CA 0.263 61.589 61.300 0.044 0.000 1.402 389 I CB 0.347 38.391 38.000 0.073 0.000 1.399 389 I HN 0.338 nan 8.210 nan 0.000 0.535 390 Q N 6.487 126.336 119.800 0.082 0.000 2.271 390 Q HA 0.420 4.767 4.340 0.011 0.000 0.258 390 Q C -0.379 175.769 176.000 0.246 0.000 0.936 390 Q CA -0.360 55.499 55.803 0.094 0.000 0.909 390 Q CB 1.782 30.562 28.738 0.069 0.000 1.253 390 Q HN 0.560 nan 8.270 nan 0.000 0.440 391 H N 0.680 119.802 119.070 0.087 0.000 2.544 391 H HA 0.483 5.045 4.556 0.011 0.000 0.342 391 H C -0.056 175.341 175.328 0.115 0.000 1.185 391 H CA -0.864 55.258 56.048 0.123 0.000 1.264 391 H CB 1.797 31.699 29.762 0.234 0.000 1.607 391 H HN 0.419 nan 8.280 nan 0.000 0.550 392 K N 0.142 120.686 120.400 0.240 0.000 2.385 392 K HA 0.571 4.897 4.320 0.011 0.000 0.248 392 K C -1.178 175.559 176.600 0.229 0.000 0.955 392 K CA -0.947 55.452 56.287 0.187 0.000 0.816 392 K CB 2.485 35.055 32.500 0.116 0.000 1.250 392 K HN 0.376 nan 8.250 nan 0.000 0.434 393 S N 0.309 116.148 115.700 0.232 0.000 2.513 393 S HA 0.871 5.347 4.470 0.011 0.000 0.299 393 S C -0.508 174.221 174.600 0.215 0.000 1.087 393 S CA 0.209 58.586 58.200 0.295 0.000 1.012 393 S CB 1.377 64.800 63.200 0.372 0.000 1.044 393 S HN 1.034 nan 8.310 nan 0.000 0.485 394 G N 2.966 111.865 108.800 0.164 0.000 2.485 394 G HA2 0.214 4.180 3.960 0.011 0.000 0.182 394 G HA3 0.214 4.180 3.960 0.011 0.000 0.182 394 G C 0.259 175.116 174.900 -0.071 0.000 1.172 394 G CA -0.217 44.841 45.100 -0.069 0.000 0.996 394 G HN 0.606 nan 8.290 nan 0.000 0.496 395 I N 0.200 120.714 120.570 -0.094 0.000 2.315 395 I HA 0.057 4.233 4.170 0.011 0.000 0.248 395 I C 0.375 176.434 176.117 -0.096 0.000 1.117 395 I CA 1.118 62.342 61.300 -0.127 0.000 1.404 395 I CB 0.049 37.879 38.000 -0.283 0.000 1.071 395 I HN 0.002 nan 8.210 nan 0.000 0.419 396 V N 0.970 120.852 119.914 -0.054 0.000 2.325 396 V HA 0.250 4.376 4.120 0.011 0.000 0.280 396 V C 0.041 176.153 176.094 0.029 0.000 1.016 396 V CA -0.627 61.660 62.300 -0.021 0.000 0.818 396 V CB 1.031 32.851 31.823 -0.006 0.000 1.019 396 V HN 0.082 nan 8.190 nan 0.000 0.434 397 S N 2.712 118.436 115.700 0.041 0.000 2.589 397 S HA 0.766 5.242 4.470 0.011 0.000 0.265 397 S C 0.655 175.381 174.600 0.211 0.000 1.342 397 S CA 0.407 58.693 58.200 0.143 0.000 1.005 397 S CB 1.451 64.725 63.200 0.124 0.000 0.909 397 S HN 1.143 nan 8.310 nan 0.000 0.555 398 G N -0.444 108.443 108.800 0.145 0.000 2.561 398 G HA2 0.521 4.487 3.960 0.011 0.000 0.310 398 G HA3 0.521 4.487 3.960 0.011 0.000 0.310 398 G C -1.908 172.725 174.900 -0.445 0.000 1.292 398 G CA -0.535 44.414 45.100 -0.251 0.000 0.811 398 G HN 0.642 nan 8.290 nan 0.000 0.482 399 V N 1.447 121.054 119.914 -0.512 0.000 2.444 399 V HA 0.315 4.441 4.120 0.011 0.000 0.294 399 V C 0.811 176.833 176.094 -0.120 0.000 1.022 399 V CA -0.588 61.510 62.300 -0.336 0.000 0.850 399 V CB 1.533 33.082 31.823 -0.456 0.000 0.992 399 V HN 0.726 nan 8.190 nan 0.000 0.426 400 Q N 2.784 122.580 119.800 -0.008 0.000 2.084 400 Q HA 0.072 4.419 4.340 0.011 0.000 0.202 400 Q C 0.682 176.682 176.000 0.001 0.000 0.978 400 Q CA 1.507 57.315 55.803 0.007 0.000 0.844 400 Q CB 0.265 29.026 28.738 0.039 0.000 0.898 400 Q HN 0.931 nan 8.270 nan 0.000 0.426 401 A N -0.388 122.440 122.820 0.012 0.000 2.605 401 A HA 0.528 4.855 4.320 0.011 0.000 0.294 401 A C -1.835 175.772 177.584 0.038 0.000 1.062 401 A CA -0.618 51.432 52.037 0.023 0.000 0.682 401 A CB 1.119 20.137 19.000 0.031 0.000 1.278 401 A HN 0.080 nan 8.150 nan 0.000 0.410 402 L N 2.437 123.697 121.223 0.062 0.000 2.481 402 L HA 0.479 4.825 4.340 0.011 0.000 0.255 402 L C -2.590 174.348 176.870 0.114 0.000 1.192 402 L CA -1.677 53.210 54.840 0.079 0.000 0.924 402 L CB 1.592 43.701 42.059 0.083 0.000 1.179 402 L HN 0.431 nan 8.230 nan 0.000 0.491 403 P HA 0.218 nan 4.420 nan 0.000 0.276 403 P C -0.869 176.516 177.300 0.141 0.000 1.264 403 P CA 0.164 63.330 63.100 0.109 0.000 0.769 403 P CB 0.799 32.542 31.700 0.071 0.000 0.840 404 L N 4.005 125.357 121.223 0.216 0.000 2.333 404 L HA 0.729 5.075 4.340 0.011 0.000 0.269 404 L C 0.441 177.495 176.870 0.306 0.000 1.010 404 L CA -1.245 53.787 54.840 0.320 0.000 0.818 404 L CB 2.182 44.504 42.059 0.438 0.000 1.306 404 L HN 0.196 nan 8.230 nan 0.000 0.430 405 V N -1.423 118.697 119.914 0.343 0.000 2.925 405 V HA 0.782 4.908 4.120 0.011 0.000 0.311 405 V C -1.574 174.763 176.094 0.406 0.000 1.104 405 V CA -0.627 61.756 62.300 0.138 0.000 0.954 405 V CB 1.668 33.507 31.823 0.027 0.000 1.022 405 V HN 0.966 nan 8.190 nan 0.000 0.427 406 W N 0.737 122.110 121.300 0.123 0.000 3.066 406 W HA 0.759 5.426 4.660 0.012 0.000 0.330 406 W C -1.529 175.027 176.519 0.062 0.000 1.253 406 W CA -0.710 56.705 57.345 0.116 0.000 1.187 406 W CB 0.997 30.551 29.460 0.157 0.000 1.434 406 W HN 0.663 nan 8.180 nan 0.000 0.572 407 D N 1.959 122.509 120.400 0.251 0.000 2.316 407 D HA 0.315 4.961 4.640 0.011 0.000 0.245 407 D C -1.495 174.949 176.300 0.240 0.000 1.171 407 D CA -2.423 51.656 54.000 0.133 0.000 0.856 407 D CB 1.926 42.788 40.800 0.103 0.000 1.090 407 D HN 0.065 nan 8.370 nan 0.000 0.476 408 P HA -0.061 nan 4.420 nan 0.000 0.222 408 P C 0.829 178.210 177.300 0.134 0.000 1.147 408 P CA 0.906 64.132 63.100 0.210 0.000 0.790 408 P CB 0.226 31.984 31.700 0.096 0.000 0.780 409 A N -0.390 122.485 122.820 0.091 0.000 2.067 409 A HA -0.112 4.215 4.320 0.011 0.000 0.219 409 A C 1.998 179.618 177.584 0.061 0.000 1.158 409 A CA 1.911 53.984 52.037 0.060 0.000 0.661 409 A CB -1.658 17.367 19.000 0.042 0.000 0.801 409 A HN 0.334 nan 8.150 nan 0.000 0.452 410 T N -2.029 112.577 114.554 0.088 0.000 3.169 410 T HA 0.170 4.527 4.350 0.011 0.000 0.250 410 T C 0.743 175.473 174.700 0.049 0.000 1.111 410 T CA 0.698 62.841 62.100 0.071 0.000 1.010 410 T CB -0.929 67.993 68.868 0.089 0.000 0.984 410 T HN 0.518 nan 8.240 nan 0.000 0.537 411 T N -0.256 114.328 114.554 0.050 0.000 2.948 411 T HA 0.647 5.004 4.350 0.011 0.000 0.285 411 T C -0.849 173.838 174.700 -0.021 0.000 1.019 411 T CA -1.076 61.016 62.100 -0.014 0.000 1.013 411 T CB 1.901 70.758 68.868 -0.020 0.000 1.117 411 T HN 0.549 nan 8.240 nan 0.000 0.533 412 K N 0.278 120.644 120.400 -0.057 0.000 2.507 412 K HA 0.718 5.044 4.320 0.011 0.000 0.251 412 K C -0.714 175.853 176.600 -0.055 0.000 0.943 412 K CA -1.108 55.155 56.287 -0.040 0.000 0.794 412 K CB 1.918 34.400 32.500 -0.030 0.000 1.188 412 K HN 0.762 nan 8.250 nan 0.000 0.428 413 A N 2.955 125.753 122.820 -0.036 0.000 2.488 413 A HA 0.452 4.779 4.320 0.011 0.000 0.249 413 A C -0.178 177.387 177.584 -0.031 0.000 1.083 413 A CA -0.192 51.824 52.037 -0.035 0.000 0.768 413 A CB 0.253 19.243 19.000 -0.018 0.000 1.017 413 A HN 0.521 nan 8.150 nan 0.000 0.496 414 V N 0.000 119.893 119.914 -0.035 0.000 2.409 414 V HA 0.000 4.126 4.120 0.011 0.000 0.244 414 V CA 0.000 62.284 62.300 -0.026 0.000 1.235 414 V CB 0.000 31.802 31.823 -0.034 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556