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 2zzg_1_A DATA FIRST_RESID 2 DATA SEQUENCE EFIMKTRMFE EEGWIRKKCK VCGKPFWTLD PDRETCGDPP CDEYQFIGKP DATA SEQUENCE GIPRKYTLDE MREKFLRFFE KHEIYPHGRV KRYPVLPRWR DDVLLVGASI DATA SEQUENCE MDFQPWVISG EADPPANPLV ISQPSIRFTD IDNVGITGRH FTIFEMMAHH DATA SEQUENCE AFNYPGKPIY WMDETVELAF EFFTKELKMK PEDITFKENP WAGGGNAGPA DATA SEQUENCE FEVLYRGLEV ATLVFMQYKK APEXXXQDQV VVIKGEKYIP METKVVDTGY DATA SEQUENCE GLERLVWMSQ GTPTAYDAVL GYVVEPLKKM AGIEKIDEKI LMENSRLAGM DATA SEQUENCE FDIEXXXDLR YLREQVAKRV GITVEELEKA IRPYELIYAI ADHTKALTFM DATA SEQUENCE LADGVVPSNV KAGYLARLLI RKSIRHLREL GLEVPLSEIV ALHIKELHKT DATA SEQUENCE FPEFKEMEDI ILEMIELEEK KYAETLRRGS DLVRREIAKL KKKGIKEIPV DATA SEQUENCE EKLVTFYESH GLTPEIVKEI AEKEGVKVNI PDNFYSMVAK EAERTXXXXX DATA SEQUENCE XXLVDFELLK DLPDTRRLYY EDPFMKEFDA KVLRVIKDWV ILDATAFYPE DATA SEQUENCE GGGQPYDTGV LIVNGREVKV TNVQKVGKVI IHKVEDPGAF KEGMIVHGKI DATA SEQUENCE DWKRRIQHMR HHTGTHVLMG ALVRVLGRHV WQAGSQLTTD WARLDISHYK DATA SEQUENCE RISEEELKEI EMLANRIVME DRKVTWEWLP RTTAEQKYGF RLYQGGVVPG DATA SEQUENCE REIRVVKIED WDVQACGGTH LPSTGLVGPI KILRTERIQD GVERIIFACG DATA SEQUENCE E 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.301 176.600 -0.499 0.000 1.382 2 E CA 0.000 56.045 56.400 -0.591 0.000 0.976 2 E CB 0.000 29.157 29.700 -0.905 0.000 0.812 3 F N 0.425 120.419 119.950 0.073 0.000 2.457 3 F HA 0.390 4.915 4.527 -0.003 0.000 0.330 3 F C 1.535 177.390 175.800 0.091 0.000 1.069 3 F CA -0.772 57.281 58.000 0.089 0.000 1.009 3 F CB 0.318 39.376 39.000 0.095 0.000 1.276 3 F HN -0.143 nan 8.300 nan 0.000 0.492 4 I N 0.775 121.522 120.570 0.294 0.000 2.244 4 I HA -0.095 4.073 4.170 -0.003 0.000 0.231 4 I C 1.351 177.628 176.117 0.267 0.000 1.065 4 I CA 1.318 62.748 61.300 0.217 0.000 1.358 4 I CB -0.155 37.944 38.000 0.166 0.000 1.130 4 I HN 0.642 nan 8.210 nan 0.000 0.411 5 M N -1.365 118.366 119.600 0.218 0.000 3.056 5 M HA -0.182 4.296 4.480 -0.003 0.000 0.224 5 M C 0.161 176.653 176.300 0.320 0.000 0.551 5 M CA 0.441 55.917 55.300 0.295 0.000 0.855 5 M CB -2.386 30.500 32.600 0.476 0.000 3.042 5 M HN 0.196 nan 8.290 nan 0.000 0.310 6 K N 2.638 123.162 120.400 0.207 0.000 2.416 6 K HA 0.317 4.635 4.320 -0.003 0.000 0.283 6 K C 0.746 177.204 176.600 -0.236 0.000 1.037 6 K CA 0.582 56.899 56.287 0.050 0.000 0.995 6 K CB 0.681 33.248 32.500 0.111 0.000 0.938 6 K HN 0.323 nan 8.250 nan 0.000 0.475 7 T N -0.273 113.932 114.554 -0.581 0.000 2.940 7 T HA 0.295 4.643 4.350 -0.003 0.000 0.288 7 T C 1.080 175.471 174.700 -0.515 0.000 1.033 7 T CA -1.105 60.564 62.100 -0.718 0.000 1.033 7 T CB 1.993 70.122 68.868 -1.232 0.000 1.079 7 T HN 0.569 nan 8.240 nan 0.000 0.496 8 R N 0.413 120.689 120.500 -0.373 0.000 2.154 8 R HA -0.183 4.155 4.340 -0.003 0.000 0.236 8 R C 2.481 178.627 176.300 -0.256 0.000 1.121 8 R CA 2.302 58.261 56.100 -0.236 0.000 0.915 8 R CB -0.510 29.681 30.300 -0.183 0.000 0.856 8 R HN 0.833 nan 8.270 nan 0.000 0.431 9 M N -0.279 119.095 119.600 -0.376 0.000 2.116 9 M HA -0.266 4.212 4.480 -0.003 0.000 0.255 9 M C 1.630 177.823 176.300 -0.179 0.000 1.075 9 M CA 1.904 57.004 55.300 -0.333 0.000 1.087 9 M CB -0.178 32.100 32.600 -0.536 0.000 1.340 9 M HN 0.171 nan 8.290 nan 0.000 0.402 10 F N 0.407 120.062 119.950 -0.492 0.000 2.146 10 F HA -0.155 4.370 4.527 -0.003 0.000 0.298 10 F C 2.594 178.410 175.800 0.027 0.000 1.096 10 F CA 1.701 59.465 58.000 -0.393 0.000 1.275 10 F CB -1.379 37.065 39.000 -0.926 0.000 1.008 10 F HN 0.377 nan 8.300 nan 0.000 0.480 11 E N 0.600 120.873 120.200 0.120 0.000 2.072 11 E HA -0.189 4.159 4.350 -0.003 0.000 0.190 11 E C 1.785 178.444 176.600 0.098 0.000 0.982 11 E CA 1.396 57.866 56.400 0.116 0.000 0.803 11 E CB -0.138 29.589 29.700 0.046 0.000 0.755 11 E HN 0.497 nan 8.360 nan 0.000 0.453 12 E N -0.153 120.085 120.200 0.063 0.000 2.112 12 E HA -0.086 4.262 4.350 -0.003 0.000 0.190 12 E C 1.376 178.014 176.600 0.063 0.000 0.979 12 E CA 0.651 57.079 56.400 0.046 0.000 0.814 12 E CB 0.236 29.943 29.700 0.012 0.000 0.762 12 E HN 0.233 nan 8.360 nan 0.000 0.460 13 E N -0.273 119.998 120.200 0.118 0.000 2.476 13 E HA 0.101 4.449 4.350 -0.003 0.000 0.196 13 E C 0.526 177.113 176.600 -0.022 0.000 1.029 13 E CA 0.236 56.672 56.400 0.061 0.000 0.896 13 E CB 0.942 30.697 29.700 0.092 0.000 1.012 13 E HN 0.279 nan 8.360 nan 0.000 0.475 14 G N 2.013 110.862 108.800 0.082 0.000 2.333 14 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.296 14 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.296 14 G C -0.438 174.453 174.900 -0.015 0.000 1.059 14 G CA 0.019 45.144 45.100 0.041 0.000 1.050 14 G HN 0.142 nan 8.290 nan 0.000 0.508 15 W N -1.027 120.294 121.300 0.034 0.000 2.184 15 W HA 0.641 5.300 4.660 -0.003 0.000 0.338 15 W C 0.632 177.194 176.519 0.071 0.000 1.257 15 W CA -0.601 56.761 57.345 0.029 0.000 1.243 15 W CB 0.488 29.923 29.460 -0.041 0.000 1.122 15 W HN 0.223 nan 8.180 nan 0.000 0.585 16 I N 1.926 122.620 120.570 0.207 0.000 2.433 16 I HA 0.322 4.490 4.170 -0.003 0.000 0.292 16 I C 0.040 175.966 176.117 -0.319 0.000 1.001 16 I CA -1.249 60.038 61.300 -0.020 0.000 1.119 16 I CB 1.487 39.433 38.000 -0.091 0.000 1.289 16 I HN 0.251 nan 8.210 nan 0.000 0.438 17 R N 5.675 125.773 120.500 -0.671 0.000 2.234 17 R HA 0.514 4.852 4.340 -0.003 0.000 0.324 17 R C -0.870 174.972 176.300 -0.763 0.000 1.054 17 R CA -0.333 55.042 56.100 -1.208 0.000 0.912 17 R CB 0.602 29.896 30.300 -1.676 0.000 1.030 17 R HN 0.637 nan 8.270 nan 0.000 0.455 18 K N 2.633 122.500 120.400 -0.888 0.000 2.400 18 K HA 0.398 4.716 4.320 -0.003 0.000 0.246 18 K C -1.029 175.387 176.600 -0.307 0.000 0.995 18 K CA -1.124 54.818 56.287 -0.574 0.000 0.840 18 K CB 1.660 33.800 32.500 -0.601 0.000 1.293 18 K HN 0.257 nan 8.250 nan 0.000 0.445 19 K N 1.387 121.756 120.400 -0.051 0.000 2.253 19 K HA 0.164 4.482 4.320 -0.003 0.000 0.277 19 K C -0.152 176.584 176.600 0.228 0.000 1.053 19 K CA -0.543 55.805 56.287 0.102 0.000 0.892 19 K CB 1.167 33.686 32.500 0.031 0.000 1.102 19 K HN 0.674 nan 8.250 nan 0.000 0.469 20 C N 3.854 123.346 119.300 0.319 0.000 2.378 20 C HA -0.043 4.415 4.460 -0.003 0.000 0.395 20 C C 1.841 176.876 174.990 0.075 0.000 1.476 20 C CA 0.225 59.333 59.018 0.150 0.000 1.541 20 C CB -0.352 27.369 27.740 -0.032 0.000 2.524 20 C HN 0.799 nan 8.230 nan 0.000 0.595 21 K N 3.238 123.670 120.400 0.053 0.000 2.147 21 K HA -0.098 4.220 4.320 -0.003 0.000 0.205 21 K C 1.763 178.366 176.600 0.004 0.000 1.049 21 K CA 1.676 57.980 56.287 0.027 0.000 0.936 21 K CB -0.020 32.493 32.500 0.022 0.000 0.722 21 K HN 0.787 nan 8.250 nan 0.000 0.446 22 V N 0.465 120.371 119.914 -0.014 0.000 2.331 22 V HA -0.186 3.932 4.120 -0.003 0.000 0.242 22 V C 2.335 178.418 176.094 -0.019 0.000 1.034 22 V CA 1.716 64.002 62.300 -0.023 0.000 1.027 22 V CB -0.182 31.617 31.823 -0.040 0.000 0.667 22 V HN 0.536 nan 8.190 nan 0.000 0.457 23 C N -0.600 118.690 119.300 -0.017 0.000 3.183 23 C HA 0.655 5.113 4.460 -0.003 0.000 0.285 23 C C 1.887 176.884 174.990 0.011 0.000 1.313 23 C CA -0.180 58.833 59.018 -0.009 0.000 1.711 23 C CB -0.182 27.549 27.740 -0.016 0.000 2.135 23 C HN 0.903 nan 8.230 nan 0.000 0.651 24 G N 1.505 110.320 108.800 0.025 0.000 2.168 24 G HA2 -0.244 3.715 3.960 -0.003 0.000 0.257 24 G HA3 -0.244 3.715 3.960 -0.003 0.000 0.257 24 G C -0.040 174.894 174.900 0.057 0.000 0.997 24 G CA 0.506 45.629 45.100 0.039 0.000 0.708 24 G HN 0.739 nan 8.290 nan 0.000 0.520 25 K N 0.652 121.100 120.400 0.080 0.000 2.174 25 K HA 0.372 4.690 4.320 -0.003 0.000 0.275 25 K C -2.370 174.335 176.600 0.175 0.000 1.015 25 K CA -1.938 54.413 56.287 0.106 0.000 0.933 25 K CB 1.052 33.613 32.500 0.101 0.000 1.025 25 K HN -0.039 nan 8.250 nan 0.000 0.463 26 P HA -0.059 nan 4.420 nan 0.000 0.264 26 P C -1.075 176.347 177.300 0.205 0.000 1.193 26 P CA 0.441 63.578 63.100 0.063 0.000 0.763 26 P CB 0.124 31.854 31.700 0.050 0.000 0.810 27 F N 0.812 120.687 119.950 -0.125 0.000 2.645 27 F HA 0.727 5.253 4.527 -0.003 0.000 0.310 27 F C -2.000 173.673 175.800 -0.211 0.000 1.102 27 F CA -1.305 56.688 58.000 -0.013 0.000 0.952 27 F CB 1.158 40.210 39.000 0.087 0.000 1.326 27 F HN 0.136 nan 8.300 nan 0.000 0.456 28 W N 1.879 123.177 121.300 -0.003 0.000 2.318 28 W HA 0.599 5.258 4.660 -0.003 0.000 0.315 28 W C -0.423 176.189 176.519 0.156 0.000 1.033 28 W CA -0.804 56.375 57.345 -0.277 0.000 1.275 28 W CB 2.004 30.877 29.460 -0.978 0.000 1.250 28 W HN 0.745 nan 8.180 nan 0.000 0.421 29 T N 3.430 118.184 114.554 0.332 0.000 2.863 29 T HA 0.273 4.621 4.350 -0.003 0.000 0.285 29 T C 0.051 174.885 174.700 0.224 0.000 1.009 29 T CA -0.507 61.867 62.100 0.457 0.000 0.989 29 T CB 1.079 70.171 68.868 0.374 0.000 1.004 29 T HN 0.306 nan 8.240 nan 0.000 0.455 30 L N 3.480 124.638 121.223 -0.108 0.000 2.599 30 L HA 0.413 4.752 4.340 -0.003 0.000 0.230 30 L C 0.332 177.082 176.870 -0.200 0.000 1.141 30 L CA 0.832 55.360 54.840 -0.521 0.000 0.877 30 L CB -0.352 41.155 42.059 -0.919 0.000 1.009 30 L HN 0.707 nan 8.230 nan 0.000 0.447 31 D N -0.820 119.557 120.400 -0.039 0.000 2.425 31 D HA 0.288 4.926 4.640 -0.003 0.000 0.240 31 D C -1.818 174.495 176.300 0.021 0.000 1.080 31 D CA -1.878 52.123 54.000 0.002 0.000 0.836 31 D CB 1.750 42.582 40.800 0.053 0.000 1.125 31 D HN -0.103 nan 8.370 nan 0.000 0.525 32 P HA 0.043 nan 4.420 nan 0.000 0.245 32 P C -0.072 177.238 177.300 0.017 0.000 1.212 32 P CA 0.397 63.495 63.100 -0.004 0.000 0.774 32 P CB 0.706 32.396 31.700 -0.016 0.000 0.999 33 D N -0.131 120.290 120.400 0.035 0.000 2.468 33 D HA 0.002 4.640 4.640 -0.003 0.000 0.243 33 D C 0.959 177.302 176.300 0.070 0.000 0.994 33 D CA 0.177 54.201 54.000 0.040 0.000 0.932 33 D CB -0.710 40.107 40.800 0.029 0.000 1.078 33 D HN 0.051 nan 8.370 nan 0.000 0.473 34 R N 2.140 122.697 120.500 0.095 0.000 3.491 34 R HA -0.175 4.163 4.340 -0.003 0.000 0.269 34 R C 0.330 176.762 176.300 0.220 0.000 0.661 34 R CA 0.706 56.891 56.100 0.142 0.000 1.041 34 R CB -0.058 30.365 30.300 0.204 0.000 0.934 34 R HN 0.170 nan 8.270 nan 0.000 0.360 35 E N 1.717 122.003 120.200 0.143 0.000 2.431 35 E HA -0.002 4.346 4.350 -0.003 0.000 0.200 35 E C 0.073 176.745 176.600 0.119 0.000 0.995 35 E CA 0.758 57.256 56.400 0.164 0.000 0.915 35 E CB 0.586 30.334 29.700 0.080 0.000 0.930 35 E HN 0.799 nan 8.360 nan 0.000 0.496 36 T N -1.862 112.656 114.554 -0.061 0.000 2.944 36 T HA 0.123 4.471 4.350 -0.003 0.000 0.284 36 T C 1.561 175.797 174.700 -0.773 0.000 1.010 36 T CA -0.659 61.286 62.100 -0.259 0.000 1.025 36 T CB 1.453 70.222 68.868 -0.166 0.000 1.079 36 T HN 0.242 nan 8.240 nan 0.000 0.516 37 C N -0.452 118.369 119.300 -0.799 0.000 2.419 37 C HA 0.421 4.880 4.460 -0.003 0.000 0.283 37 C C 2.271 176.919 174.990 -0.570 0.000 1.373 37 C CA 0.211 58.606 59.018 -1.038 0.000 1.781 37 C CB -1.968 25.531 27.740 -0.402 0.000 1.886 37 C HN 1.677 nan 8.230 nan 0.000 0.520 38 G N 0.416 109.016 108.800 -0.333 0.000 2.159 38 G HA2 -0.137 3.821 3.960 -0.003 0.000 0.227 38 G HA3 -0.137 3.821 3.960 -0.003 0.000 0.227 38 G C -0.482 174.360 174.900 -0.096 0.000 0.986 38 G CA 0.419 45.427 45.100 -0.152 0.000 0.651 38 G HN 0.726 nan 8.290 nan 0.000 0.523 39 D N 0.763 121.100 120.400 -0.105 0.000 2.391 39 D HA 0.590 5.228 4.640 -0.003 0.000 0.245 39 D C -2.401 173.855 176.300 -0.073 0.000 1.069 39 D CA -1.956 52.006 54.000 -0.065 0.000 0.831 39 D CB 2.012 42.788 40.800 -0.040 0.000 1.204 39 D HN 0.009 nan 8.370 nan 0.000 0.503 40 P HA 0.068 nan 4.420 nan 0.000 0.264 40 P C -1.891 175.369 177.300 -0.067 0.000 1.183 40 P CA -0.757 62.286 63.100 -0.094 0.000 0.763 40 P CB 0.302 31.917 31.700 -0.141 0.000 0.807 41 P HA 0.037 nan 4.420 nan 0.000 0.249 41 P C 0.292 177.553 177.300 -0.065 0.000 1.229 41 P CA 0.377 63.436 63.100 -0.069 0.000 0.788 41 P CB -0.188 31.471 31.700 -0.068 0.000 1.072 42 C N -0.416 118.840 119.300 -0.073 0.000 2.435 42 C HA 0.006 4.465 4.460 -0.003 0.000 0.279 42 C C 0.915 175.857 174.990 -0.081 0.000 1.321 42 C CA 0.787 59.758 59.018 -0.078 0.000 1.752 42 C CB -1.259 26.419 27.740 -0.103 0.000 1.959 42 C HN 0.260 nan 8.230 nan 0.000 0.500 43 D N -1.558 118.791 120.400 -0.086 0.000 2.493 43 D HA 0.454 5.092 4.640 -0.003 0.000 0.239 43 D C -0.460 175.785 176.300 -0.091 0.000 1.049 43 D CA -0.469 53.484 54.000 -0.078 0.000 1.008 43 D CB 1.011 41.765 40.800 -0.077 0.000 1.398 43 D HN 0.222 nan 8.370 nan 0.000 0.513 44 E N -0.557 119.598 120.200 -0.075 0.000 2.259 44 E HA 0.315 4.663 4.350 -0.003 0.000 0.257 44 E C -0.737 175.837 176.600 -0.043 0.000 0.998 44 E CA -0.752 55.590 56.400 -0.096 0.000 0.866 44 E CB 0.851 30.520 29.700 -0.052 0.000 1.220 44 E HN 0.286 nan 8.360 nan 0.000 0.415 45 Y N 1.400 121.664 120.300 -0.059 0.000 2.465 45 Y HA 0.070 4.619 4.550 -0.003 0.000 0.331 45 Y C -0.035 175.752 175.900 -0.189 0.000 1.102 45 Y CA 0.096 58.110 58.100 -0.142 0.000 1.358 45 Y CB 0.696 38.960 38.460 -0.327 0.000 1.213 45 Y HN 0.338 nan 8.280 nan 0.000 0.525 46 Q N 3.715 123.560 119.800 0.075 0.000 2.506 46 Q HA 0.271 4.610 4.340 -0.003 0.000 0.380 46 Q C -0.608 175.408 176.000 0.027 0.000 0.867 46 Q CA -0.147 55.651 55.803 -0.009 0.000 1.093 46 Q CB 0.112 28.846 28.738 -0.007 0.000 1.388 46 Q HN 0.690 nan 8.270 nan 0.000 0.400 47 F N -3.287 116.540 119.950 -0.206 0.000 3.031 47 F HA 0.469 4.994 4.527 -0.003 0.000 0.365 47 F C -0.237 175.427 175.800 -0.227 0.000 1.128 47 F CA -0.825 57.026 58.000 -0.248 0.000 1.068 47 F CB 0.183 38.972 39.000 -0.353 0.000 1.280 47 F HN -0.098 nan 8.300 nan 0.000 0.529 48 I N 2.877 123.094 120.570 -0.588 0.000 2.483 48 I HA 0.412 4.581 4.170 -0.003 0.000 0.291 48 I C 1.451 177.483 176.117 -0.142 0.000 1.112 48 I CA 1.103 62.181 61.300 -0.371 0.000 1.350 48 I CB 0.191 37.977 38.000 -0.356 0.000 1.419 48 I HN 0.619 nan 8.210 nan 0.000 0.523 49 G N 5.171 113.936 108.800 -0.058 0.000 2.234 49 G HA2 -0.303 3.655 3.960 -0.003 0.000 0.260 49 G HA3 -0.303 3.655 3.960 -0.003 0.000 0.260 49 G C 0.616 175.512 174.900 -0.006 0.000 0.987 49 G CA -0.187 44.903 45.100 -0.016 0.000 0.625 49 G HN 0.578 nan 8.290 nan 0.000 0.532 50 K N 1.473 121.864 120.400 -0.014 0.000 2.800 50 K HA 0.326 4.644 4.320 -0.003 0.000 0.185 50 K C -2.484 174.138 176.600 0.037 0.000 1.082 50 K CA -1.763 54.527 56.287 0.005 0.000 0.978 50 K CB 1.455 33.948 32.500 -0.012 0.000 1.364 50 K HN 0.161 nan 8.250 nan 0.000 0.592 51 P HA -0.082 nan 4.420 nan 0.000 0.264 51 P C 0.657 177.991 177.300 0.057 0.000 1.179 51 P CA 0.413 63.561 63.100 0.080 0.000 0.763 51 P CB 0.737 32.487 31.700 0.083 0.000 0.806 52 G N 1.896 110.715 108.800 0.033 0.000 3.141 52 G HA2 0.234 4.192 3.960 -0.003 0.000 0.218 52 G HA3 0.234 4.192 3.960 -0.003 0.000 0.218 52 G C 0.295 175.277 174.900 0.136 0.000 1.170 52 G CA -0.026 45.102 45.100 0.047 0.000 0.769 52 G HN 0.436 nan 8.290 nan 0.000 0.546 53 I N 0.336 120.957 120.570 0.085 0.000 2.439 53 I HA 0.269 4.437 4.170 -0.003 0.000 0.285 53 I C -1.628 174.557 176.117 0.113 0.000 1.021 53 I CA -2.184 59.168 61.300 0.086 0.000 1.091 53 I CB 2.819 40.862 38.000 0.072 0.000 1.242 53 I HN -0.146 nan 8.210 nan 0.000 0.439 54 P HA -0.235 nan 4.420 nan 0.000 0.216 54 P C -0.072 177.259 177.300 0.052 0.000 1.062 54 P CA 1.837 64.974 63.100 0.061 0.000 0.995 54 P CB -0.012 31.717 31.700 0.048 0.000 0.762 55 R N -0.684 119.843 120.500 0.045 0.000 2.549 55 R HA 0.493 4.831 4.340 -0.003 0.000 0.259 55 R C 0.039 176.310 176.300 -0.049 0.000 1.095 55 R CA -0.733 55.321 56.100 -0.076 0.000 1.148 55 R CB 0.426 30.578 30.300 -0.247 0.000 1.181 55 R HN -0.114 nan 8.270 nan 0.000 0.571 56 K N 1.106 121.436 120.400 -0.117 0.000 2.211 56 K HA 0.226 4.545 4.320 -0.003 0.000 0.275 56 K C -1.198 175.331 176.600 -0.119 0.000 1.024 56 K CA -0.342 55.938 56.287 -0.013 0.000 0.887 56 K CB 1.078 33.592 32.500 0.023 0.000 1.084 56 K HN 0.433 nan 8.250 nan 0.000 0.463 57 Y N 0.422 120.761 120.300 0.065 0.000 2.409 57 Y HA 0.160 4.708 4.550 -0.003 0.000 0.339 57 Y C 1.057 177.009 175.900 0.087 0.000 1.033 57 Y CA -0.868 57.275 58.100 0.072 0.000 1.094 57 Y CB 1.754 40.259 38.460 0.075 0.000 1.210 57 Y HN 0.548 nan 8.280 nan 0.000 0.456 58 T N 0.298 114.988 114.554 0.227 0.000 2.922 58 T HA 0.132 4.480 4.350 -0.003 0.000 0.285 58 T C 1.155 175.968 174.700 0.189 0.000 1.005 58 T CA -0.854 61.353 62.100 0.179 0.000 1.061 58 T CB 1.012 69.955 68.868 0.125 0.000 1.007 58 T HN 0.680 nan 8.240 nan 0.000 0.502 59 L N 0.840 122.160 121.223 0.162 0.000 2.082 59 L HA -0.214 4.124 4.340 -0.003 0.000 0.223 59 L C 1.806 178.752 176.870 0.125 0.000 1.086 59 L CA 2.320 57.245 54.840 0.141 0.000 0.793 59 L CB -1.210 40.940 42.059 0.151 0.000 0.896 59 L HN 0.789 nan 8.230 nan 0.000 0.441 60 D N -0.986 119.482 120.400 0.113 0.000 2.194 60 D HA -0.111 4.527 4.640 -0.003 0.000 0.204 60 D C 2.161 178.524 176.300 0.105 0.000 0.964 60 D CA 0.748 54.799 54.000 0.084 0.000 0.846 60 D CB 0.180 41.012 40.800 0.054 0.000 0.962 60 D HN 0.447 nan 8.370 nan 0.000 0.490 61 E N -0.170 120.117 120.200 0.144 0.000 2.028 61 E HA -0.152 4.197 4.350 -0.003 0.000 0.191 61 E C 1.872 178.619 176.600 0.246 0.000 0.988 61 E CA 0.767 57.281 56.400 0.190 0.000 0.799 61 E CB -0.048 29.786 29.700 0.223 0.000 0.755 61 E HN 0.081 nan 8.360 nan 0.000 0.447 62 M N 1.109 120.865 119.600 0.261 0.000 2.117 62 M HA -0.173 4.305 4.480 -0.003 0.000 0.262 62 M C 2.109 178.516 176.300 0.179 0.000 1.065 62 M CA 1.648 57.065 55.300 0.195 0.000 1.114 62 M CB -0.110 32.559 32.600 0.115 0.000 1.361 62 M HN -0.125 nan 8.290 nan 0.000 0.408 63 R N -0.376 120.202 120.500 0.131 0.000 2.082 63 R HA -0.225 4.113 4.340 -0.003 0.000 0.234 63 R C 2.146 178.535 176.300 0.147 0.000 1.136 63 R CA 2.194 58.350 56.100 0.094 0.000 0.935 63 R CB -0.638 29.693 30.300 0.052 0.000 0.842 63 R HN 0.417 nan 8.270 nan 0.000 0.430 64 E N 0.819 121.099 120.200 0.133 0.000 2.118 64 E HA -0.204 4.144 4.350 -0.003 0.000 0.195 64 E C 1.796 178.505 176.600 0.181 0.000 0.992 64 E CA 1.682 58.162 56.400 0.134 0.000 0.804 64 E CB -0.058 29.702 29.700 0.100 0.000 0.741 64 E HN 0.303 nan 8.360 nan 0.000 0.458 65 K N -0.825 119.710 120.400 0.224 0.000 1.965 65 K HA -0.202 4.117 4.320 -0.003 0.000 0.218 65 K C 2.001 178.790 176.600 0.316 0.000 1.048 65 K CA 1.752 58.203 56.287 0.273 0.000 0.960 65 K CB -0.695 31.989 32.500 0.307 0.000 0.732 65 K HN 0.168 nan 8.250 nan 0.000 0.444 66 F N 1.655 121.698 119.950 0.154 0.000 2.063 66 F HA -0.322 4.204 4.527 -0.003 0.000 0.297 66 F C 1.829 177.654 175.800 0.042 0.000 1.099 66 F CA 1.915 59.845 58.000 -0.117 0.000 1.220 66 F CB -0.483 38.330 39.000 -0.311 0.000 0.972 66 F HN 0.113 nan 8.300 nan 0.000 0.487 67 L N -0.451 121.008 121.223 0.392 0.000 2.012 67 L HA -0.257 4.082 4.340 -0.003 0.000 0.210 67 L C 2.754 179.741 176.870 0.195 0.000 1.073 67 L CA 1.888 56.904 54.840 0.294 0.000 0.748 67 L CB -0.624 41.557 42.059 0.204 0.000 0.891 67 L HN 0.137 nan 8.230 nan 0.000 0.431 68 R N -0.336 120.263 120.500 0.166 0.000 2.070 68 R HA -0.241 4.097 4.340 -0.003 0.000 0.232 68 R C 2.395 178.744 176.300 0.081 0.000 1.138 68 R CA 1.909 58.078 56.100 0.115 0.000 0.936 68 R CB -0.556 29.808 30.300 0.107 0.000 0.839 68 R HN 0.178 nan 8.270 nan 0.000 0.429 69 F N 0.428 120.324 119.950 -0.092 0.000 2.063 69 F HA -0.340 4.185 4.527 -0.003 0.000 0.297 69 F C 1.570 177.130 175.800 -0.400 0.000 1.099 69 F CA 2.082 59.919 58.000 -0.272 0.000 1.220 69 F CB -0.392 38.348 39.000 -0.434 0.000 0.972 69 F HN 0.053 nan 8.300 nan 0.000 0.487 70 F N 0.081 119.954 119.950 -0.128 0.000 2.416 70 F HA -0.006 4.519 4.527 -0.003 0.000 0.296 70 F C 2.444 178.213 175.800 -0.053 0.000 1.099 70 F CA 1.164 58.985 58.000 -0.299 0.000 1.427 70 F CB -0.663 37.916 39.000 -0.703 0.000 1.079 70 F HN 0.088 nan 8.300 nan 0.000 0.536 71 E N 0.807 121.093 120.200 0.142 0.000 2.072 71 E HA -0.167 4.182 4.350 -0.003 0.000 0.191 71 E C 1.474 178.124 176.600 0.083 0.000 0.985 71 E CA 1.101 57.589 56.400 0.146 0.000 0.801 71 E CB 0.071 29.841 29.700 0.116 0.000 0.750 71 E HN 0.310 nan 8.360 nan 0.000 0.452 72 K N -0.366 120.032 120.400 -0.003 0.000 2.358 72 K HA 0.065 4.384 4.320 -0.003 0.000 0.200 72 K C 0.207 176.731 176.600 -0.127 0.000 1.030 72 K CA -0.272 55.983 56.287 -0.053 0.000 1.097 72 K CB 0.289 32.750 32.500 -0.064 0.000 0.862 72 K HN 0.174 nan 8.250 nan 0.000 0.534 73 H N 2.142 121.038 119.070 -0.290 0.000 3.115 73 H HA -0.088 4.467 4.556 -0.003 0.000 0.324 73 H C 0.585 175.769 175.328 -0.241 0.000 1.007 73 H CA 0.845 56.646 56.048 -0.411 0.000 1.385 73 H CB 0.927 30.428 29.762 -0.434 0.000 1.351 73 H HN 0.204 nan 8.280 nan 0.000 0.592 74 E N 4.345 124.079 120.200 -0.776 0.000 2.077 74 E HA -0.144 4.204 4.350 -0.003 0.000 0.193 74 E C 2.071 178.413 176.600 -0.430 0.000 0.989 74 E CA 1.264 57.361 56.400 -0.505 0.000 0.800 74 E CB 0.208 29.631 29.700 -0.462 0.000 0.746 74 E HN 0.623 nan 8.360 nan 0.000 0.452 75 I N -0.819 119.391 120.570 -0.600 0.000 2.499 75 I HA -0.126 4.042 4.170 -0.003 0.000 0.243 75 I C 0.463 176.390 176.117 -0.317 0.000 1.085 75 I CA 0.738 61.794 61.300 -0.406 0.000 1.422 75 I CB -0.046 37.716 38.000 -0.397 0.000 1.165 75 I HN -0.074 nan 8.210 nan 0.000 0.440 76 Y N 2.372 122.861 120.300 0.315 0.000 2.402 76 Y HA 0.429 4.977 4.550 -0.003 0.000 0.332 76 Y C -2.390 173.612 175.900 0.170 0.000 0.960 76 Y CA -3.405 54.784 58.100 0.148 0.000 1.228 76 Y CB 0.230 38.674 38.460 -0.026 0.000 1.120 76 Y HN -0.019 nan 8.280 nan 0.000 0.491 77 P HA 0.222 nan 4.420 nan 0.000 0.290 77 P C -0.952 176.433 177.300 0.142 0.000 1.276 77 P CA -0.368 62.841 63.100 0.181 0.000 0.808 77 P CB 1.071 32.825 31.700 0.089 0.000 0.966 78 H N 0.160 119.325 119.070 0.157 0.000 2.463 78 H HA 0.518 5.073 4.556 -0.003 0.000 0.332 78 H C 1.012 176.419 175.328 0.132 0.000 1.127 78 H CA -0.013 56.133 56.048 0.164 0.000 1.238 78 H CB 0.763 30.635 29.762 0.183 0.000 1.478 78 H HN 0.492 nan 8.280 nan 0.000 0.499 79 G N 2.278 111.208 108.800 0.217 0.000 2.361 79 G HA2 0.128 4.086 3.960 -0.003 0.000 0.260 79 G HA3 0.128 4.086 3.960 -0.003 0.000 0.260 79 G C -0.148 174.868 174.900 0.193 0.000 1.261 79 G CA -0.606 44.599 45.100 0.174 0.000 0.897 79 G HN 0.590 nan 8.290 nan 0.000 0.499 80 R N 2.404 123.003 120.500 0.164 0.000 2.316 80 R HA 0.338 4.676 4.340 -0.003 0.000 0.314 80 R C -0.764 175.633 176.300 0.162 0.000 1.069 80 R CA -0.297 55.899 56.100 0.159 0.000 0.959 80 R CB 0.609 30.987 30.300 0.130 0.000 0.987 80 R HN 0.252 nan 8.270 nan 0.000 0.446 81 V N 5.170 125.199 119.914 0.192 0.000 2.513 81 V HA 0.245 4.363 4.120 -0.003 0.000 0.299 81 V C 0.045 176.273 176.094 0.224 0.000 1.035 81 V CA -0.872 61.565 62.300 0.228 0.000 0.889 81 V CB 1.664 33.673 31.823 0.309 0.000 0.988 81 V HN 0.710 nan 8.190 nan 0.000 0.440 82 K N 3.764 124.296 120.400 0.221 0.000 2.368 82 K HA 0.281 4.599 4.320 -0.003 0.000 0.282 82 K C 0.480 177.265 176.600 0.307 0.000 1.035 82 K CA -0.590 55.818 56.287 0.201 0.000 0.973 82 K CB 0.567 33.152 32.500 0.142 0.000 0.957 82 K HN 0.802 nan 8.250 nan 0.000 0.474 83 R N 2.633 123.296 120.500 0.271 0.000 2.698 83 R HA -0.032 4.306 4.340 -0.003 0.000 0.266 83 R C -1.042 175.535 176.300 0.461 0.000 1.026 83 R CA 0.427 56.726 56.100 0.331 0.000 1.102 83 R CB 0.045 30.514 30.300 0.281 0.000 0.978 83 R HN 0.299 nan 8.270 nan 0.000 0.436 84 Y N 1.741 122.107 120.300 0.109 0.000 2.335 84 Y HA 0.386 4.934 4.550 -0.003 0.000 0.323 84 Y C -1.854 174.150 175.900 0.173 0.000 1.224 84 Y CA -2.900 55.260 58.100 0.101 0.000 1.241 84 Y CB 0.773 39.152 38.460 -0.135 0.000 1.235 84 Y HN 0.631 nan 8.280 nan 0.000 0.492 85 P HA -0.016 nan 4.420 nan 0.000 0.268 85 P C 0.790 178.232 177.300 0.236 0.000 1.204 85 P CA 0.066 63.310 63.100 0.241 0.000 0.768 85 P CB 0.633 32.421 31.700 0.146 0.000 0.842 86 V N 1.860 121.874 119.914 0.167 0.000 3.078 86 V HA -0.047 4.072 4.120 -0.003 0.000 0.265 86 V C 0.775 176.862 176.094 -0.012 0.000 1.122 86 V CA 1.059 63.415 62.300 0.094 0.000 1.141 86 V CB -0.898 30.976 31.823 0.085 0.000 0.735 86 V HN 0.397 nan 8.190 nan 0.000 0.498 87 L N 3.614 124.797 121.223 -0.068 0.000 2.282 87 L HA 0.409 4.748 4.340 -0.003 0.000 0.287 87 L C -1.963 174.647 176.870 -0.433 0.000 1.075 87 L CA -1.880 52.831 54.840 -0.216 0.000 0.839 87 L CB 1.475 43.402 42.059 -0.220 0.000 1.219 87 L HN 0.189 nan 8.230 nan 0.000 0.434 88 P HA -0.030 nan 4.420 nan 0.000 0.240 88 P C 0.303 176.889 177.300 -1.190 0.000 1.594 88 P CA -0.218 62.054 63.100 -1.380 0.000 1.184 88 P CB -0.029 31.095 31.700 -0.961 0.000 1.915 89 R N 0.967 120.946 120.500 -0.870 0.000 2.249 89 R HA -0.138 4.200 4.340 -0.003 0.000 0.230 89 R C 1.451 177.725 176.300 -0.043 0.000 1.121 89 R CA 1.260 57.217 56.100 -0.239 0.000 0.997 89 R CB -0.890 29.515 30.300 0.175 0.000 0.867 89 R HN 0.621 nan 8.270 nan 0.000 0.465 90 W N 1.317 122.568 121.300 -0.082 0.000 3.278 90 W HA 0.231 4.889 4.660 -0.003 0.000 0.308 90 W C 0.325 176.860 176.519 0.028 0.000 1.253 90 W CA -0.753 56.513 57.345 -0.132 0.000 1.759 90 W CB 0.236 29.822 29.460 0.211 0.000 1.093 90 W HN -0.139 nan 8.180 nan 0.000 0.648 91 R N 0.627 120.901 120.500 -0.377 0.000 2.734 91 R HA 0.288 4.626 4.340 -0.003 0.000 0.271 91 R C -0.743 175.424 176.300 -0.222 0.000 1.021 91 R CA -0.304 55.667 56.100 -0.215 0.000 0.893 91 R CB 0.766 30.899 30.300 -0.279 0.000 1.244 91 R HN -0.048 nan 8.270 nan 0.000 0.464 92 D N -0.881 119.441 120.400 -0.130 0.000 2.479 92 D HA 0.031 4.669 4.640 -0.003 0.000 0.218 92 D C -0.011 176.225 176.300 -0.107 0.000 1.177 92 D CA -0.135 53.805 54.000 -0.100 0.000 0.830 92 D CB 0.300 41.082 40.800 -0.030 0.000 1.014 92 D HN 0.633 nan 8.370 nan 0.000 0.503 93 D N -0.057 120.264 120.400 -0.132 0.000 2.454 93 D HA 0.028 4.667 4.640 -0.003 0.000 0.219 93 D C 0.821 177.054 176.300 -0.112 0.000 1.081 93 D CA 0.062 53.996 54.000 -0.109 0.000 0.867 93 D CB 0.215 40.956 40.800 -0.099 0.000 1.054 93 D HN 0.176 nan 8.370 nan 0.000 0.500 94 V N -1.481 118.349 119.914 -0.139 0.000 2.715 94 V HA 0.437 4.556 4.120 -0.003 0.000 0.310 94 V C 0.785 176.787 176.094 -0.153 0.000 1.054 94 V CA -0.942 61.284 62.300 -0.123 0.000 0.928 94 V CB 2.317 34.082 31.823 -0.096 0.000 1.007 94 V HN -0.143 nan 8.190 nan 0.000 0.437 95 L N 2.782 123.933 121.223 -0.121 0.000 2.102 95 L HA 0.411 4.750 4.340 -0.003 0.000 0.202 95 L C 0.610 177.405 176.870 -0.124 0.000 1.076 95 L CA 1.632 56.396 54.840 -0.127 0.000 0.761 95 L CB -0.549 41.442 42.059 -0.113 0.000 0.921 95 L HN 0.659 nan 8.230 nan 0.000 0.444 96 L N -2.520 118.657 121.223 -0.076 0.000 2.277 96 L HA 0.419 4.757 4.340 -0.003 0.000 0.254 96 L C -0.744 176.102 176.870 -0.041 0.000 1.044 96 L CA -0.962 53.850 54.840 -0.047 0.000 0.842 96 L CB 2.252 44.341 42.059 0.049 0.000 1.422 96 L HN -0.539 nan 8.230 nan 0.000 0.422 97 V N 1.007 120.910 119.914 -0.018 0.000 2.408 97 V HA 0.238 4.357 4.120 -0.003 0.000 0.267 97 V C 0.825 176.926 176.094 0.012 0.000 1.047 97 V CA 0.576 62.886 62.300 0.017 0.000 0.937 97 V CB 0.905 32.771 31.823 0.071 0.000 0.999 97 V HN 0.977 nan 8.190 nan 0.000 0.472 98 G N 4.005 112.837 108.800 0.052 0.000 2.559 98 G HA2 0.465 4.423 3.960 -0.003 0.000 0.209 98 G HA3 0.465 4.423 3.960 -0.003 0.000 0.209 98 G C 0.413 175.374 174.900 0.101 0.000 1.151 98 G CA 0.768 45.922 45.100 0.089 0.000 0.824 98 G HN 0.856 nan 8.290 nan 0.000 0.543 99 A N -0.086 122.813 122.820 0.132 0.000 2.384 99 A HA 0.624 4.943 4.320 -0.003 0.000 0.312 99 A C 1.431 179.044 177.584 0.049 0.000 1.113 99 A CA 0.565 52.667 52.037 0.108 0.000 0.779 99 A CB 1.302 20.411 19.000 0.181 0.000 1.307 99 A HN 0.531 nan 8.150 nan 0.000 0.436 100 S N 0.787 116.508 115.700 0.036 0.000 2.383 100 S HA -0.194 4.274 4.470 -0.003 0.000 0.229 100 S C 1.664 176.279 174.600 0.026 0.000 1.030 100 S CA 1.645 59.874 58.200 0.048 0.000 1.002 100 S CB -0.671 62.638 63.200 0.180 0.000 0.829 100 S HN 0.891 nan 8.310 nan 0.000 0.467 101 I N 1.773 122.391 120.570 0.080 0.000 2.399 101 I HA -0.144 4.025 4.170 -0.003 0.000 0.254 101 I C 2.267 178.442 176.117 0.096 0.000 1.146 101 I CA 1.271 62.614 61.300 0.073 0.000 1.412 101 I CB -0.399 37.633 38.000 0.055 0.000 1.076 101 I HN 0.299 nan 8.210 nan 0.000 0.432 102 M N -0.387 119.251 119.600 0.064 0.000 2.374 102 M HA -0.185 4.293 4.480 -0.003 0.000 0.264 102 M C 1.278 177.660 176.300 0.137 0.000 1.067 102 M CA 1.303 56.675 55.300 0.120 0.000 1.103 102 M CB -0.448 32.233 32.600 0.134 0.000 1.402 102 M HN 0.146 nan 8.290 nan 0.000 0.444 103 D N -0.062 120.180 120.400 -0.263 0.000 2.311 103 D HA -0.138 4.500 4.640 -0.003 0.000 0.212 103 D C 0.986 176.712 176.300 -0.956 0.000 0.972 103 D CA 1.359 54.832 54.000 -0.878 0.000 0.887 103 D CB -0.112 39.490 40.800 -1.997 0.000 0.915 103 D HN 0.381 nan 8.370 nan 0.000 0.497 104 F N -0.321 119.596 119.950 -0.056 0.000 2.728 104 F HA 0.279 4.804 4.527 -0.003 0.000 0.314 104 F C 0.755 176.579 175.800 0.041 0.000 1.094 104 F CA -0.464 57.511 58.000 -0.042 0.000 1.217 104 F CB -0.059 38.901 39.000 -0.067 0.000 1.056 104 F HN -0.286 nan 8.300 nan 0.000 0.577 105 Q N 2.759 122.674 119.800 0.192 0.000 2.260 105 Q HA 0.205 4.544 4.340 -0.003 0.000 0.242 105 Q C -1.702 174.260 176.000 -0.063 0.000 0.932 105 Q CA -1.710 54.142 55.803 0.081 0.000 0.891 105 Q CB 1.086 29.869 28.738 0.074 0.000 1.222 105 Q HN -0.102 nan 8.270 nan 0.000 0.453 106 P HA -0.020 nan 4.420 nan 0.000 0.264 106 P C -0.065 177.144 177.300 -0.152 0.000 1.259 106 P CA 0.383 63.299 63.100 -0.307 0.000 0.841 106 P CB 0.226 31.644 31.700 -0.470 0.000 1.232 107 W N 0.027 121.427 121.300 0.167 0.000 2.381 107 W HA -0.079 4.580 4.660 -0.002 0.000 0.301 107 W C 2.166 178.747 176.519 0.104 0.000 1.205 107 W CA 0.149 57.577 57.345 0.138 0.000 1.285 107 W CB -1.340 28.216 29.460 0.160 0.000 1.133 107 W HN -0.281 nan 8.180 nan 0.000 0.521 108 V N 0.892 120.979 119.914 0.287 0.000 2.379 108 V HA -0.252 3.867 4.120 -0.003 0.000 0.245 108 V C 1.879 178.018 176.094 0.076 0.000 1.044 108 V CA 1.413 63.773 62.300 0.099 0.000 1.036 108 V CB -0.711 31.089 31.823 -0.038 0.000 0.664 108 V HN 0.173 nan 8.190 nan 0.000 0.453 109 I N 1.161 121.804 120.570 0.121 0.000 2.916 109 I HA -0.124 4.044 4.170 -0.003 0.000 0.267 109 I C 2.077 178.306 176.117 0.186 0.000 1.263 109 I CA 1.421 62.819 61.300 0.163 0.000 1.471 109 I CB -0.170 37.931 38.000 0.169 0.000 1.089 109 I HN 0.471 nan 8.210 nan 0.000 0.468 110 S N -0.393 115.417 115.700 0.184 0.000 2.556 110 S HA 0.204 4.672 4.470 -0.003 0.000 0.216 110 S C 1.631 176.335 174.600 0.174 0.000 0.970 110 S CA 0.293 58.598 58.200 0.174 0.000 0.912 110 S CB 0.447 63.743 63.200 0.160 0.000 0.790 110 S HN 0.529 nan 8.310 nan 0.000 0.504 111 G N 1.461 110.382 108.800 0.201 0.000 2.186 111 G HA2 -0.374 3.584 3.960 -0.003 0.000 0.266 111 G HA3 -0.374 3.584 3.960 -0.003 0.000 0.266 111 G C 0.526 175.411 174.900 -0.026 0.000 0.982 111 G CA 0.701 45.788 45.100 -0.022 0.000 0.670 111 G HN 0.601 nan 8.290 nan 0.000 0.533 112 E N -0.182 120.085 120.200 0.111 0.000 2.285 112 E HA 0.411 4.759 4.350 -0.003 0.000 0.194 112 E C 1.278 177.944 176.600 0.110 0.000 0.997 112 E CA 0.861 57.341 56.400 0.133 0.000 0.845 112 E CB -0.013 29.852 29.700 0.275 0.000 0.782 112 E HN 0.914 nan 8.360 nan 0.000 0.491 113 A N 0.816 123.715 122.820 0.132 0.000 2.422 113 A HA 0.355 4.674 4.320 -0.003 0.000 0.302 113 A C -1.476 176.138 177.584 0.050 0.000 1.041 113 A CA -0.829 51.272 52.037 0.106 0.000 0.708 113 A CB 1.311 20.430 19.000 0.199 0.000 1.257 113 A HN -0.021 nan 8.150 nan 0.000 0.414 114 D N 3.398 123.809 120.400 0.018 0.000 2.390 114 D HA 0.411 5.049 4.640 -0.003 0.000 0.249 114 D C -2.262 174.041 176.300 0.005 0.000 1.144 114 D CA -0.308 53.690 54.000 -0.003 0.000 0.880 114 D CB 0.763 41.563 40.800 -0.000 0.000 1.182 114 D HN 0.229 nan 8.370 nan 0.000 0.451 115 P HA 0.099 nan 4.420 nan 0.000 0.271 115 P C -1.987 175.333 177.300 0.033 0.000 1.216 115 P CA -1.175 61.847 63.100 -0.131 0.000 0.776 115 P CB 0.335 31.832 31.700 -0.338 0.000 0.881 116 P HA -0.045 nan 4.420 nan 0.000 0.223 116 P C -0.051 177.328 177.300 0.131 0.000 1.144 116 P CA 1.571 64.759 63.100 0.146 0.000 0.783 116 P CB 0.143 31.988 31.700 0.242 0.000 0.771 117 A N -1.784 121.119 122.820 0.137 0.000 2.566 117 A HA 0.675 4.994 4.320 -0.003 0.000 0.290 117 A C -1.545 176.141 177.584 0.170 0.000 1.071 117 A CA -0.434 51.687 52.037 0.140 0.000 0.658 117 A CB 0.840 19.932 19.000 0.153 0.000 1.285 117 A HN -0.131 nan 8.150 nan 0.000 0.427 118 N N 0.659 119.440 118.700 0.136 0.000 2.875 118 N HA 0.465 5.203 4.740 -0.003 0.000 0.253 118 N C -3.119 172.411 175.510 0.034 0.000 1.296 118 N CA -0.532 52.590 53.050 0.120 0.000 0.816 118 N CB 2.140 40.732 38.487 0.176 0.000 1.504 118 N HN 0.497 nan 8.380 nan 0.000 0.582 119 P HA 0.551 nan 4.420 nan 0.000 0.282 119 P C -0.986 176.374 177.300 0.100 0.000 1.287 119 P CA -0.627 62.435 63.100 -0.063 0.000 0.792 119 P CB 1.010 32.572 31.700 -0.230 0.000 1.163 120 L N -2.714 118.643 121.223 0.222 0.000 2.424 120 L HA 0.841 5.179 4.340 -0.003 0.000 0.258 120 L C -1.036 175.995 176.870 0.268 0.000 0.995 120 L CA -1.124 53.872 54.840 0.261 0.000 0.821 120 L CB 1.476 43.661 42.059 0.210 0.000 1.383 120 L HN 0.167 nan 8.230 nan 0.000 0.410 121 V N 2.864 122.911 119.914 0.222 0.000 2.656 121 V HA 0.793 4.912 4.120 -0.003 0.000 0.307 121 V C -1.108 175.091 176.094 0.174 0.000 1.051 121 V CA -0.393 61.986 62.300 0.133 0.000 0.893 121 V CB 1.908 33.761 31.823 0.049 0.000 0.999 121 V HN 0.895 nan 8.190 nan 0.000 0.426 122 I N 4.154 124.814 120.570 0.150 0.000 2.827 122 I HA 0.521 4.689 4.170 -0.003 0.000 0.298 122 I C -0.763 175.378 176.117 0.040 0.000 1.235 122 I CA -0.044 61.341 61.300 0.141 0.000 1.021 122 I CB 2.509 40.639 38.000 0.217 0.000 1.259 122 I HN 0.573 nan 8.210 nan 0.000 0.427 123 S N 4.619 120.340 115.700 0.036 0.000 2.532 123 S HA 0.427 4.896 4.470 -0.003 0.000 0.318 123 S C -0.873 173.745 174.600 0.031 0.000 1.083 123 S CA -0.357 57.828 58.200 -0.025 0.000 1.131 123 S CB 0.388 63.576 63.200 -0.019 0.000 0.973 123 S HN 0.518 nan 8.310 nan 0.000 0.468 124 Q N 5.693 125.483 119.800 -0.016 0.000 2.400 124 Q HA 0.478 4.816 4.340 -0.003 0.000 0.255 124 Q C -2.743 173.191 176.000 -0.109 0.000 1.008 124 Q CA -2.262 53.534 55.803 -0.011 0.000 0.841 124 Q CB 1.178 29.901 28.738 -0.024 0.000 1.220 124 Q HN 0.267 nan 8.270 nan 0.000 0.474 125 P HA 0.024 nan 4.420 nan 0.000 0.261 125 P C -1.074 176.037 177.300 -0.315 0.000 1.183 125 P CA 0.458 63.401 63.100 -0.262 0.000 0.761 125 P CB 0.791 32.386 31.700 -0.176 0.000 0.785 126 S N 2.821 118.179 115.700 -0.571 0.000 2.536 126 S HA 0.626 5.095 4.470 -0.003 0.000 0.287 126 S C -0.442 173.869 174.600 -0.483 0.000 1.101 126 S CA -0.513 57.346 58.200 -0.568 0.000 0.950 126 S CB 0.932 63.597 63.200 -0.891 0.000 1.056 126 S HN 0.233 nan 8.310 nan 0.000 0.481 127 I N 3.181 123.645 120.570 -0.177 0.000 2.447 127 I HA 0.497 4.665 4.170 -0.003 0.000 0.287 127 I C -0.536 175.635 176.117 0.090 0.000 1.023 127 I CA -0.588 60.688 61.300 -0.040 0.000 1.083 127 I CB 1.289 39.301 38.000 0.020 0.000 1.245 127 I HN 0.296 nan 8.210 nan 0.000 0.434 128 R N 6.152 126.713 120.500 0.101 0.000 2.473 128 R HA 0.325 4.663 4.340 -0.003 0.000 0.303 128 R C -0.704 175.617 176.300 0.033 0.000 1.002 128 R CA -0.555 55.649 56.100 0.173 0.000 0.884 128 R CB 1.284 31.753 30.300 0.282 0.000 1.173 128 R HN 0.530 nan 8.270 nan 0.000 0.464 129 F N 0.542 120.532 119.950 0.068 0.000 2.732 129 F HA 0.047 4.573 4.527 -0.003 0.000 0.303 129 F C 1.859 177.675 175.800 0.026 0.000 1.110 129 F CA 0.367 58.387 58.000 0.034 0.000 1.355 129 F CB 0.450 39.454 39.000 0.006 0.000 1.081 129 F HN 0.394 nan 8.300 nan 0.000 0.565 130 T N -3.495 111.162 114.554 0.172 0.000 3.085 130 T HA -0.041 4.307 4.350 -0.003 0.000 0.263 130 T C 1.003 175.733 174.700 0.050 0.000 1.127 130 T CA 0.868 63.028 62.100 0.101 0.000 1.103 130 T CB 0.014 68.931 68.868 0.082 0.000 0.921 130 T HN 0.150 nan 8.240 nan 0.000 0.510 131 D N -0.087 120.334 120.400 0.035 0.000 2.513 131 D HA 0.312 4.950 4.640 -0.003 0.000 0.222 131 D C 1.451 177.732 176.300 -0.031 0.000 1.210 131 D CA -0.178 53.788 54.000 -0.056 0.000 0.825 131 D CB 0.396 41.143 40.800 -0.089 0.000 1.037 131 D HN 0.308 nan 8.370 nan 0.000 0.506 132 I N 1.187 121.762 120.570 0.010 0.000 2.335 132 I HA -0.289 3.880 4.170 -0.003 0.000 0.251 132 I C 0.652 176.800 176.117 0.052 0.000 1.129 132 I CA 1.705 63.008 61.300 0.004 0.000 1.402 132 I CB 0.183 38.183 38.000 -0.000 0.000 1.069 132 I HN -0.130 nan 8.210 nan 0.000 0.424 133 D N -0.454 119.990 120.400 0.072 0.000 2.363 133 D HA -0.081 4.557 4.640 -0.003 0.000 0.226 133 D C 1.462 177.797 176.300 0.058 0.000 1.020 133 D CA 0.538 54.599 54.000 0.101 0.000 0.892 133 D CB -0.210 40.676 40.800 0.143 0.000 0.900 133 D HN 0.491 nan 8.370 nan 0.000 0.531 134 N N -0.071 118.627 118.700 -0.003 0.000 2.439 134 N HA 0.028 4.766 4.740 -0.003 0.000 0.176 134 N C -0.202 175.361 175.510 0.088 0.000 1.029 134 N CA -0.126 52.919 53.050 -0.009 0.000 0.886 134 N CB 0.721 39.022 38.487 -0.310 0.000 1.057 134 N HN -0.091 nan 8.380 nan 0.000 0.437 135 V N 1.595 121.547 119.914 0.064 0.000 2.742 135 V HA -0.096 4.022 4.120 -0.003 0.000 0.302 135 V C 1.457 177.488 176.094 -0.105 0.000 1.133 135 V CA 1.451 63.740 62.300 -0.018 0.000 1.284 135 V CB -0.329 31.468 31.823 -0.044 0.000 0.850 135 V HN 0.697 nan 8.190 nan 0.000 0.494 136 G N 3.653 112.313 108.800 -0.234 0.000 2.225 136 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.254 136 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.254 136 G C 0.591 175.586 174.900 0.158 0.000 0.988 136 G CA 0.567 45.596 45.100 -0.117 0.000 0.625 136 G HN 0.623 nan 8.290 nan 0.000 0.527 137 I N 0.639 121.302 120.570 0.154 0.000 2.899 137 I HA 0.071 4.239 4.170 -0.003 0.000 0.257 137 I C 2.878 179.117 176.117 0.204 0.000 1.115 137 I CA 1.792 63.190 61.300 0.164 0.000 1.451 137 I CB -0.190 37.890 38.000 0.133 0.000 1.251 137 I HN 0.298 nan 8.210 nan 0.000 0.456 138 T N -1.927 112.780 114.554 0.255 0.000 3.043 138 T HA 0.167 4.515 4.350 -0.003 0.000 0.263 138 T C 1.694 176.538 174.700 0.239 0.000 1.094 138 T CA 0.798 63.077 62.100 0.299 0.000 1.127 138 T CB 0.321 69.452 68.868 0.439 0.000 0.905 138 T HN 0.533 nan 8.240 nan 0.000 0.490 139 G N 2.404 111.236 108.800 0.055 0.000 2.225 139 G HA2 -0.366 3.592 3.960 -0.003 0.000 0.254 139 G HA3 -0.366 3.592 3.960 -0.003 0.000 0.254 139 G C 1.067 175.419 174.900 -0.912 0.000 0.988 139 G CA 0.679 45.470 45.100 -0.515 0.000 0.625 139 G HN 0.841 nan 8.290 nan 0.000 0.527 140 R N -0.130 120.196 120.500 -0.289 0.000 2.316 140 R HA 0.318 4.656 4.340 -0.003 0.000 0.201 140 R C 0.549 176.733 176.300 -0.192 0.000 0.888 140 R CA 0.394 56.383 56.100 -0.184 0.000 1.041 140 R CB 0.079 30.464 30.300 0.141 0.000 1.115 140 R HN 0.469 nan 8.270 nan 0.000 0.559 141 H N -0.110 118.983 119.070 0.039 0.000 2.511 141 H HA 0.424 4.978 4.556 -0.003 0.000 0.346 141 H C -1.065 174.305 175.328 0.069 0.000 1.128 141 H CA -0.059 56.051 56.048 0.103 0.000 1.342 141 H CB 0.862 30.671 29.762 0.077 0.000 1.470 141 H HN -0.059 nan 8.280 nan 0.000 0.546 142 F N -1.026 119.026 119.950 0.170 0.000 2.640 142 F HA 0.251 4.776 4.527 -0.003 0.000 0.324 142 F C 1.291 177.176 175.800 0.141 0.000 1.077 142 F CA -0.858 57.248 58.000 0.177 0.000 0.965 142 F CB 1.745 40.861 39.000 0.192 0.000 1.351 142 F HN 0.477 nan 8.300 nan 0.000 0.487 143 T N 0.744 115.461 114.554 0.271 0.000 2.937 143 T HA 0.104 4.453 4.350 -0.003 0.000 0.260 143 T C 0.018 174.788 174.700 0.117 0.000 1.051 143 T CA 1.082 63.201 62.100 0.031 0.000 1.141 143 T CB -0.011 68.770 68.868 -0.146 0.000 0.879 143 T HN 0.259 nan 8.240 nan 0.000 0.459 144 I N 2.173 122.862 120.570 0.198 0.000 2.447 144 I HA 0.527 4.695 4.170 -0.003 0.000 0.287 144 I C -1.507 174.649 176.117 0.066 0.000 1.023 144 I CA -1.721 59.580 61.300 0.002 0.000 1.083 144 I CB 0.750 38.637 38.000 -0.189 0.000 1.245 144 I HN 0.170 nan 8.210 nan 0.000 0.434 145 F N 3.610 123.431 119.950 -0.216 0.000 2.685 145 F HA 0.675 5.200 4.527 -0.003 0.000 0.315 145 F C -0.956 174.712 175.800 -0.219 0.000 1.126 145 F CA -0.967 56.857 58.000 -0.293 0.000 0.950 145 F CB 1.156 39.987 39.000 -0.281 0.000 1.360 145 F HN 0.290 nan 8.300 nan 0.000 0.469 146 E N 2.269 122.402 120.200 -0.112 0.000 2.081 146 E HA 0.273 4.621 4.350 -0.003 0.000 0.276 146 E C -0.987 175.578 176.600 -0.059 0.000 0.950 146 E CA -0.677 55.638 56.400 -0.143 0.000 0.776 146 E CB 1.536 31.208 29.700 -0.046 0.000 1.094 146 E HN 0.670 nan 8.360 nan 0.000 0.402 147 M N 5.091 124.597 119.600 -0.158 0.000 2.156 147 M HA 0.224 4.702 4.480 -0.003 0.000 0.345 147 M C -0.920 175.307 176.300 -0.122 0.000 1.398 147 M CA 0.134 55.403 55.300 -0.053 0.000 1.148 147 M CB 0.166 32.735 32.600 -0.052 0.000 1.663 147 M HN 0.428 nan 8.290 nan 0.000 0.464 148 M N 4.590 124.053 119.600 -0.228 0.000 2.233 148 M HA 0.675 5.154 4.480 -0.003 0.000 0.355 148 M C -0.511 175.576 176.300 -0.355 0.000 1.191 148 M CA -0.389 54.593 55.300 -0.530 0.000 1.101 148 M CB 1.628 33.466 32.600 -1.270 0.000 1.592 148 M HN 0.775 nan 8.290 nan 0.000 0.461 149 A N 1.826 124.503 122.820 -0.238 0.000 2.540 149 A HA 0.631 4.950 4.320 -0.003 0.000 0.297 149 A C -1.676 175.741 177.584 -0.278 0.000 1.056 149 A CA -0.912 50.992 52.037 -0.222 0.000 0.700 149 A CB 0.775 19.565 19.000 -0.349 0.000 1.280 149 A HN 0.985 nan 8.150 nan 0.000 0.398 150 H N 0.530 119.290 119.070 -0.516 0.000 2.504 150 H HA 0.827 5.382 4.556 -0.003 0.000 0.322 150 H C -0.716 174.323 175.328 -0.481 0.000 1.055 150 H CA -0.595 55.139 56.048 -0.523 0.000 1.231 150 H CB 0.901 30.098 29.762 -0.941 0.000 1.417 150 H HN 0.588 nan 8.280 nan 0.000 0.472 151 H N 2.231 121.212 119.070 -0.147 0.000 2.621 151 H HA 0.726 5.281 4.556 -0.003 0.000 0.360 151 H C -0.892 174.052 175.328 -0.639 0.000 1.163 151 H CA -0.797 54.954 56.048 -0.494 0.000 1.194 151 H CB 2.237 31.598 29.762 -0.669 0.000 1.649 151 H HN 0.893 nan 8.280 nan 0.000 0.532 152 A N 2.968 125.278 122.820 -0.849 0.000 2.442 152 A HA 0.509 4.827 4.320 -0.003 0.000 0.284 152 A C -1.574 175.465 177.584 -0.909 0.000 1.058 152 A CA -0.657 50.863 52.037 -0.862 0.000 0.738 152 A CB 0.318 18.657 19.000 -1.102 0.000 1.242 152 A HN 0.435 nan 8.150 nan 0.000 0.421 153 F N 2.505 122.229 119.950 -0.376 0.000 2.385 153 F HA 0.377 4.902 4.527 -0.003 0.000 0.360 153 F C 0.523 175.943 175.800 -0.634 0.000 1.122 153 F CA -0.643 57.032 58.000 -0.541 0.000 1.090 153 F CB 1.517 40.142 39.000 -0.626 0.000 1.150 153 F HN 0.502 nan 8.300 nan 0.000 0.472 154 N N 4.498 122.919 118.700 -0.465 0.000 2.817 154 N HA 0.139 4.877 4.740 -0.003 0.000 0.234 154 N C -0.961 174.334 175.510 -0.358 0.000 1.066 154 N CA -0.376 52.448 53.050 -0.377 0.000 0.926 154 N CB 0.633 38.879 38.487 -0.401 0.000 1.176 154 N HN 0.443 nan 8.380 nan 0.000 0.506 155 Y N 0.996 121.269 120.300 -0.045 0.000 2.314 155 Y HA 0.252 4.800 4.550 -0.003 0.000 0.334 155 Y C -1.617 174.245 175.900 -0.064 0.000 1.266 155 Y CA -2.013 56.061 58.100 -0.044 0.000 1.391 155 Y CB -0.390 38.061 38.460 -0.015 0.000 1.306 155 Y HN 0.333 nan 8.280 nan 0.000 0.558 156 P HA 0.110 nan 4.420 nan 0.000 0.265 156 P C 0.147 177.462 177.300 0.025 0.000 1.193 156 P CA 0.667 63.781 63.100 0.024 0.000 0.765 156 P CB 0.406 32.119 31.700 0.020 0.000 0.823 157 G N 2.022 110.820 108.800 -0.004 0.000 2.359 157 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.298 157 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.298 157 G C 0.057 174.966 174.900 0.016 0.000 1.030 157 G CA 0.339 45.439 45.100 0.001 0.000 1.149 157 G HN 0.665 nan 8.290 nan 0.000 0.512 158 K N -0.170 120.236 120.400 0.010 0.000 2.642 158 K HA 0.159 4.477 4.320 -0.003 0.000 0.229 158 K C -2.541 174.061 176.600 0.004 0.000 1.576 158 K CA -0.775 55.530 56.287 0.030 0.000 0.768 158 K CB 1.406 33.952 32.500 0.077 0.000 1.363 158 K HN 0.266 nan 8.250 nan 0.000 0.443 159 P HA 0.136 nan 4.420 nan 0.000 0.272 159 P C 0.073 177.375 177.300 0.003 0.000 1.223 159 P CA -0.417 62.662 63.100 -0.036 0.000 0.784 159 P CB 1.126 32.819 31.700 -0.012 0.000 0.923 160 I N 0.301 120.850 120.570 -0.036 0.000 3.523 160 I HA 0.166 4.334 4.170 -0.003 0.000 0.244 160 I C 0.783 176.953 176.117 0.089 0.000 1.110 160 I CA 0.949 62.247 61.300 -0.004 0.000 1.517 160 I CB -0.907 37.008 38.000 -0.142 0.000 1.505 160 I HN 0.492 nan 8.210 nan 0.000 0.460 161 Y N -2.429 117.818 120.300 -0.088 0.000 2.788 161 Y HA 0.523 5.071 4.550 -0.003 0.000 0.335 161 Y C -0.850 175.132 175.900 0.136 0.000 1.287 161 Y CA -1.754 56.298 58.100 -0.081 0.000 1.068 161 Y CB 1.172 39.377 38.460 -0.426 0.000 1.340 161 Y HN 0.174 nan 8.280 nan 0.000 0.449 162 W N 1.645 122.999 121.300 0.091 0.000 3.892 162 W HA 0.244 4.902 4.660 -0.003 0.000 0.394 162 W C 0.894 177.394 176.519 -0.031 0.000 1.293 162 W CA -0.763 56.569 57.345 -0.022 0.000 1.172 162 W CB 1.513 30.918 29.460 -0.091 0.000 1.623 162 W HN 0.783 nan 8.180 nan 0.000 0.633 163 M N 1.362 120.393 119.600 -0.948 0.000 2.065 163 M HA -0.224 4.254 4.480 -0.003 0.000 0.259 163 M C 1.382 177.308 176.300 -0.623 0.000 1.069 163 M CA 2.516 57.011 55.300 -1.341 0.000 1.110 163 M CB -0.722 30.850 32.600 -1.712 0.000 1.328 163 M HN 0.247 nan 8.290 nan 0.000 0.405 164 D N 0.287 120.438 120.400 -0.416 0.000 2.106 164 D HA -0.201 4.437 4.640 -0.003 0.000 0.191 164 D C 1.809 177.985 176.300 -0.207 0.000 0.997 164 D CA 1.887 55.700 54.000 -0.311 0.000 0.834 164 D CB -0.441 40.247 40.800 -0.187 0.000 0.956 164 D HN 0.461 nan 8.370 nan 0.000 0.448 165 E N -0.228 119.915 120.200 -0.094 0.000 2.153 165 E HA -0.085 4.263 4.350 -0.003 0.000 0.194 165 E C 2.102 178.621 176.600 -0.134 0.000 0.988 165 E CA 0.992 57.327 56.400 -0.107 0.000 0.811 165 E CB -0.277 29.291 29.700 -0.220 0.000 0.746 165 E HN 0.193 nan 8.360 nan 0.000 0.466 166 T N 0.316 114.880 114.554 0.016 0.000 2.770 166 T HA -0.113 4.235 4.350 -0.003 0.000 0.263 166 T C 2.081 176.886 174.700 0.174 0.000 1.039 166 T CA 1.403 63.634 62.100 0.219 0.000 1.142 166 T CB -0.309 68.845 68.868 0.477 0.000 0.868 166 T HN 0.246 nan 8.240 nan 0.000 0.435 167 V N 0.253 120.182 119.914 0.025 0.000 2.867 167 V HA -0.064 4.055 4.120 -0.003 0.000 0.260 167 V C 1.832 177.916 176.094 -0.016 0.000 1.099 167 V CA 1.479 63.749 62.300 -0.051 0.000 1.122 167 V CB -0.745 30.740 31.823 -0.563 0.000 0.708 167 V HN 0.406 nan 8.190 nan 0.000 0.490 168 E N 0.596 120.777 120.200 -0.031 0.000 2.045 168 E HA 0.122 4.470 4.350 -0.003 0.000 0.190 168 E C 2.100 178.757 176.600 0.095 0.000 0.968 168 E CA 1.020 57.442 56.400 0.037 0.000 0.813 168 E CB -0.279 29.414 29.700 -0.011 0.000 0.780 168 E HN 0.527 nan 8.360 nan 0.000 0.455 169 L N 1.074 122.305 121.223 0.014 0.000 2.089 169 L HA -0.279 4.059 4.340 -0.003 0.000 0.213 169 L C 2.436 179.265 176.870 -0.068 0.000 1.079 169 L CA 1.268 56.076 54.840 -0.053 0.000 0.758 169 L CB -0.542 41.418 42.059 -0.166 0.000 0.891 169 L HN 0.173 nan 8.230 nan 0.000 0.433 170 A N -0.124 122.739 122.820 0.071 0.000 1.835 170 A HA -0.266 4.052 4.320 -0.003 0.000 0.215 170 A C 2.188 179.710 177.584 -0.102 0.000 1.199 170 A CA 1.717 53.771 52.037 0.027 0.000 0.615 170 A CB -1.047 18.103 19.000 0.250 0.000 0.838 170 A HN 0.357 nan 8.150 nan 0.000 0.444 171 F N 0.784 120.768 119.950 0.056 0.000 2.161 171 F HA -0.168 4.357 4.527 -0.003 0.000 0.300 171 F C 2.187 178.036 175.800 0.082 0.000 1.089 171 F CA 2.114 60.224 58.000 0.183 0.000 1.282 171 F CB -0.207 38.936 39.000 0.239 0.000 1.010 171 F HN 0.504 nan 8.300 nan 0.000 0.485 172 E N -0.243 120.025 120.200 0.113 0.000 2.021 172 E HA -0.341 4.007 4.350 -0.003 0.000 0.200 172 E C 2.262 178.757 176.600 -0.175 0.000 1.015 172 E CA 1.951 58.376 56.400 0.041 0.000 0.824 172 E CB -0.673 29.139 29.700 0.187 0.000 0.762 172 E HN 0.415 nan 8.360 nan 0.000 0.454 173 F N 0.273 119.854 119.950 -0.615 0.000 2.154 173 F HA -0.250 4.275 4.527 -0.003 0.000 0.301 173 F C 1.746 177.250 175.800 -0.494 0.000 1.087 173 F CA 1.474 58.895 58.000 -0.964 0.000 1.274 173 F CB -0.264 37.828 39.000 -1.514 0.000 1.009 173 F HN 0.089 nan 8.300 nan 0.000 0.485 174 F N 0.617 120.295 119.950 -0.454 0.000 2.128 174 F HA -0.104 4.421 4.527 -0.003 0.000 0.295 174 F C 2.835 178.297 175.800 -0.565 0.000 1.100 174 F CA 1.723 59.392 58.000 -0.552 0.000 1.260 174 F CB -1.597 37.170 39.000 -0.388 0.000 1.009 174 F HN 0.111 nan 8.300 nan 0.000 0.476 175 T N -2.471 111.874 114.554 -0.348 0.000 2.901 175 T HA -0.035 4.313 4.350 -0.003 0.000 0.252 175 T C 1.829 176.404 174.700 -0.208 0.000 1.035 175 T CA 0.738 62.647 62.100 -0.319 0.000 1.142 175 T CB -0.251 68.353 68.868 -0.440 0.000 0.869 175 T HN -0.098 nan 8.240 nan 0.000 0.442 176 K N 0.744 121.037 120.400 -0.178 0.000 2.459 176 K HA 0.222 4.541 4.320 -0.003 0.000 0.193 176 K C 2.079 178.614 176.600 -0.107 0.000 1.030 176 K CA 0.404 56.637 56.287 -0.090 0.000 1.026 176 K CB 0.231 32.729 32.500 -0.003 0.000 0.809 176 K HN 0.359 nan 8.250 nan 0.000 0.504 177 E N -0.785 119.260 120.200 -0.258 0.000 2.378 177 E HA 0.173 4.521 4.350 -0.003 0.000 0.200 177 E C 1.401 177.821 176.600 -0.299 0.000 0.882 177 E CA 0.524 56.745 56.400 -0.297 0.000 1.061 177 E CB 0.257 29.607 29.700 -0.584 0.000 1.049 177 E HN 0.139 nan 8.360 nan 0.000 0.494 178 L N 1.019 121.973 121.223 -0.448 0.000 2.554 178 L HA 0.149 4.487 4.340 -0.003 0.000 0.225 178 L C -0.200 176.575 176.870 -0.158 0.000 1.104 178 L CA 0.021 54.667 54.840 -0.324 0.000 0.866 178 L CB 0.049 41.814 42.059 -0.491 0.000 1.047 178 L HN -0.116 nan 8.230 nan 0.000 0.468 179 K N 0.861 121.159 120.400 -0.169 0.000 3.393 179 K HA -0.150 4.168 4.320 -0.003 0.000 0.272 179 K C -0.388 176.153 176.600 -0.099 0.000 1.004 179 K CA 1.047 57.272 56.287 -0.103 0.000 0.764 179 K CB -2.007 30.470 32.500 -0.038 0.000 1.373 179 K HN 0.390 nan 8.250 nan 0.000 0.458 180 M N 0.410 119.899 119.600 -0.184 0.000 2.342 180 M HA 0.221 4.699 4.480 -0.003 0.000 0.332 180 M C 0.870 177.143 176.300 -0.045 0.000 1.166 180 M CA -0.472 54.715 55.300 -0.187 0.000 1.086 180 M CB 1.278 33.471 32.600 -0.678 0.000 1.541 180 M HN 0.050 nan 8.290 nan 0.000 0.462 181 K N 2.947 123.437 120.400 0.150 0.000 2.294 181 K HA 0.133 4.451 4.320 -0.003 0.000 0.288 181 K C -1.918 174.799 176.600 0.194 0.000 1.072 181 K CA -1.384 54.997 56.287 0.156 0.000 0.960 181 K CB 0.543 33.139 32.500 0.161 0.000 1.043 181 K HN 0.230 nan 8.250 nan 0.000 0.455 182 P HA -0.197 nan 4.420 nan 0.000 0.218 182 P C 0.219 177.721 177.300 0.338 0.000 1.146 182 P CA 1.151 64.427 63.100 0.294 0.000 0.813 182 P CB 0.173 32.084 31.700 0.351 0.000 0.778 183 E N -1.520 118.795 120.200 0.192 0.000 2.419 183 E HA 0.025 4.374 4.350 -0.003 0.000 0.190 183 E C 0.190 176.895 176.600 0.175 0.000 1.040 183 E CA 0.349 56.827 56.400 0.130 0.000 0.900 183 E CB -0.342 29.377 29.700 0.031 0.000 1.054 183 E HN 0.200 nan 8.360 nan 0.000 0.462 184 D N 0.736 121.284 120.400 0.247 0.000 2.423 184 D HA 0.219 4.857 4.640 -0.003 0.000 0.212 184 D C 0.750 177.262 176.300 0.353 0.000 1.060 184 D CA -0.130 53.998 54.000 0.213 0.000 0.872 184 D CB 0.623 41.468 40.800 0.074 0.000 1.012 184 D HN 0.210 nan 8.370 nan 0.000 0.503 185 I N 1.535 122.408 120.570 0.505 0.000 2.710 185 I HA 0.002 4.170 4.170 -0.003 0.000 0.286 185 I C 0.998 177.465 176.117 0.583 0.000 1.181 185 I CA 0.485 62.090 61.300 0.509 0.000 1.430 185 I CB 0.620 38.978 38.000 0.597 0.000 1.367 185 I HN -0.089 nan 8.210 nan 0.000 0.577 186 T N 3.865 118.680 114.554 0.436 0.000 2.887 186 T HA 0.626 4.975 4.350 -0.003 0.000 0.292 186 T C -0.892 174.046 174.700 0.397 0.000 1.087 186 T CA -0.597 61.828 62.100 0.541 0.000 1.009 186 T CB 1.585 70.691 68.868 0.397 0.000 1.203 186 T HN 0.219 nan 8.240 nan 0.000 0.518 187 F N 1.498 121.643 119.950 0.325 0.000 2.676 187 F HA 0.473 4.998 4.527 -0.003 0.000 0.371 187 F C 0.409 176.521 175.800 0.519 0.000 1.141 187 F CA -0.929 57.238 58.000 0.277 0.000 1.133 187 F CB 1.563 40.515 39.000 -0.079 0.000 1.376 187 F HN 0.526 nan 8.300 nan 0.000 0.491 188 K N 2.453 123.171 120.400 0.530 0.000 2.270 188 K HA 0.253 4.572 4.320 -0.003 0.000 0.276 188 K C -0.204 176.716 176.600 0.533 0.000 1.023 188 K CA -0.241 56.333 56.287 0.478 0.000 0.955 188 K CB 0.808 33.464 32.500 0.259 0.000 0.975 188 K HN 0.585 nan 8.250 nan 0.000 0.471 189 E N 2.688 123.150 120.200 0.435 0.000 2.167 189 E HA 0.163 4.511 4.350 -0.003 0.000 0.284 189 E C -1.011 175.707 176.600 0.197 0.000 1.016 189 E CA -0.482 56.096 56.400 0.297 0.000 0.817 189 E CB 1.028 30.902 29.700 0.291 0.000 1.080 189 E HN 0.361 nan 8.360 nan 0.000 0.397 190 N N 3.168 121.959 118.700 0.152 0.000 2.431 190 N HA 0.292 5.030 4.740 -0.003 0.000 0.275 190 N C -2.929 172.668 175.510 0.145 0.000 1.091 190 N CA -1.654 51.484 53.050 0.147 0.000 0.922 190 N CB 1.944 40.517 38.487 0.143 0.000 1.666 190 N HN 0.117 nan 8.380 nan 0.000 0.484 191 P HA 0.300 nan 4.420 nan 0.000 0.276 191 P C -1.164 176.241 177.300 0.175 0.000 1.252 191 P CA -0.093 63.102 63.100 0.158 0.000 0.802 191 P CB 0.656 32.492 31.700 0.227 0.000 1.035 192 W N 1.253 122.515 121.300 -0.064 0.000 2.781 192 W HA 0.652 5.311 4.660 -0.002 0.000 0.333 192 W C -1.470 175.000 176.519 -0.083 0.000 1.047 192 W CA -0.382 56.929 57.345 -0.056 0.000 1.236 192 W CB 1.442 30.858 29.460 -0.073 0.000 1.394 192 W HN 0.481 nan 8.180 nan 0.000 0.466 193 A N 3.449 125.892 122.820 -0.628 0.000 2.356 193 A HA 1.004 5.322 4.320 -0.003 0.000 0.323 193 A C -0.355 176.493 177.584 -1.226 0.000 1.119 193 A CA -0.417 51.268 52.037 -0.587 0.000 0.790 193 A CB 1.574 20.412 19.000 -0.270 0.000 1.273 193 A HN 1.389 nan 8.150 nan 0.000 0.452 194 G N -0.971 107.436 108.800 -0.655 0.000 2.219 194 G HA2 0.542 4.500 3.960 -0.003 0.000 0.304 194 G HA3 0.542 4.500 3.960 -0.003 0.000 0.304 194 G C 0.519 175.422 174.900 0.005 0.000 1.712 194 G CA 0.608 45.401 45.100 -0.512 0.000 0.905 194 G HN 2.355 nan 8.290 nan 0.000 0.706 195 G N -0.173 108.638 108.800 0.018 0.000 2.203 195 G HA2 0.287 4.245 3.960 -0.003 0.000 0.263 195 G HA3 0.287 4.245 3.960 -0.003 0.000 0.263 195 G C 1.735 176.679 174.900 0.073 0.000 1.012 195 G CA 1.636 46.772 45.100 0.060 0.000 0.749 195 G HN 2.857 nan 8.290 nan 0.000 0.512 196 G N -2.020 106.843 108.800 0.104 0.000 2.229 196 G HA2 -0.129 3.830 3.960 -0.003 0.000 0.189 196 G HA3 -0.129 3.830 3.960 -0.003 0.000 0.189 196 G C -0.132 174.925 174.900 0.263 0.000 1.000 196 G CA 0.419 45.603 45.100 0.141 0.000 0.663 196 G HN 1.256 nan 8.290 nan 0.000 0.493 197 N N -0.254 118.589 118.700 0.239 0.000 2.455 197 N HA 0.835 5.573 4.740 -0.003 0.000 0.278 197 N C -0.268 175.229 175.510 -0.021 0.000 1.291 197 N CA -0.054 53.102 53.050 0.177 0.000 0.780 197 N CB 2.158 40.754 38.487 0.181 0.000 1.520 197 N HN 0.790 nan 8.380 nan 0.000 0.486 198 A N -0.110 122.600 122.820 -0.184 0.000 2.583 198 A HA 1.003 5.322 4.320 -0.003 0.000 0.289 198 A C -0.868 176.728 177.584 0.019 0.000 1.151 198 A CA -0.266 51.607 52.037 -0.274 0.000 0.695 198 A CB 1.484 19.873 19.000 -1.018 0.000 1.290 198 A HN 0.864 nan 8.150 nan 0.000 0.419 199 G N -1.048 107.745 108.800 -0.013 0.000 2.325 199 G HA2 0.554 4.512 3.960 -0.003 0.000 0.297 199 G HA3 0.554 4.512 3.960 -0.003 0.000 0.297 199 G C -3.596 171.178 174.900 -0.209 0.000 1.448 199 G CA -0.392 44.687 45.100 -0.035 0.000 0.838 199 G HN 0.650 nan 8.290 nan 0.000 0.579 200 P HA 0.570 nan 4.420 nan 0.000 0.274 200 P C -0.313 176.904 177.300 -0.139 0.000 1.237 200 P CA 0.062 62.987 63.100 -0.292 0.000 0.793 200 P CB 1.746 33.230 31.700 -0.359 0.000 0.977 201 A N 1.029 123.768 122.820 -0.135 0.000 2.606 201 A HA 0.701 5.020 4.320 -0.003 0.000 0.293 201 A C -1.700 175.777 177.584 -0.178 0.000 1.082 201 A CA -0.456 51.467 52.037 -0.189 0.000 0.685 201 A CB 0.834 19.777 19.000 -0.096 0.000 1.284 201 A HN 0.281 nan 8.150 nan 0.000 0.408 202 F N 0.898 120.899 119.950 0.086 0.000 2.436 202 F HA 0.430 4.955 4.527 -0.002 0.000 0.340 202 F C 0.565 176.392 175.800 0.044 0.000 1.113 202 F CA -0.160 57.950 58.000 0.184 0.000 1.022 202 F CB 2.020 41.234 39.000 0.357 0.000 1.128 202 F HN 0.559 nan 8.300 nan 0.000 0.466 203 E N 2.853 123.219 120.200 0.278 0.000 2.044 203 E HA 0.295 4.643 4.350 -0.003 0.000 0.282 203 E C -0.903 175.714 176.600 0.029 0.000 1.031 203 E CA -0.526 55.941 56.400 0.113 0.000 0.824 203 E CB 1.328 31.095 29.700 0.113 0.000 1.076 203 E HN 0.257 nan 8.360 nan 0.000 0.395 204 V N 5.819 125.661 119.914 -0.120 0.000 2.439 204 V HA 0.114 4.232 4.120 -0.003 0.000 0.271 204 V C 0.144 176.136 176.094 -0.171 0.000 1.040 204 V CA 0.038 62.156 62.300 -0.303 0.000 1.002 204 V CB -0.105 31.557 31.823 -0.267 0.000 1.000 204 V HN 0.543 nan 8.190 nan 0.000 0.477 205 L N 5.917 127.071 121.223 -0.116 0.000 2.346 205 L HA 0.611 4.950 4.340 -0.003 0.000 0.276 205 L C -1.004 175.892 176.870 0.044 0.000 1.006 205 L CA -0.644 54.178 54.840 -0.031 0.000 0.817 205 L CB 1.875 43.938 42.059 0.005 0.000 1.272 205 L HN 0.675 nan 8.230 nan 0.000 0.421 206 Y N 3.876 124.072 120.300 -0.173 0.000 2.298 206 Y HA 0.315 4.864 4.550 -0.003 0.000 0.322 206 Y C -0.003 175.775 175.900 -0.203 0.000 1.138 206 Y CA -0.799 57.184 58.100 -0.195 0.000 1.127 206 Y CB 0.743 39.008 38.460 -0.326 0.000 1.178 206 Y HN 0.583 nan 8.280 nan 0.000 0.428 207 R N 3.693 123.901 120.500 -0.486 0.000 3.875 207 R HA -0.209 4.130 4.340 -0.003 0.000 0.321 207 R C 0.819 177.073 176.300 -0.077 0.000 1.196 207 R CA 1.263 57.120 56.100 -0.404 0.000 0.868 207 R CB -2.034 27.863 30.300 -0.671 0.000 1.333 207 R HN 1.674 nan 8.270 nan 0.000 0.522 208 G N -0.858 107.916 108.800 -0.045 0.000 2.179 208 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.220 208 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.220 208 G C -0.269 174.711 174.900 0.133 0.000 0.990 208 G CA 0.053 45.191 45.100 0.064 0.000 0.646 208 G HN 0.275 nan 8.290 nan 0.000 0.517 209 L N 1.357 122.598 121.223 0.030 0.000 2.372 209 L HA 0.635 4.973 4.340 -0.003 0.000 0.274 209 L C 0.285 177.125 176.870 -0.050 0.000 0.988 209 L CA -0.938 53.917 54.840 0.024 0.000 0.833 209 L CB 1.554 43.536 42.059 -0.129 0.000 1.236 209 L HN 0.232 nan 8.230 nan 0.000 0.410 210 E N 3.479 123.670 120.200 -0.015 0.000 2.463 210 E HA 0.021 4.370 4.350 -0.003 0.000 0.248 210 E C 0.559 177.121 176.600 -0.063 0.000 1.106 210 E CA 0.342 56.719 56.400 -0.038 0.000 0.946 210 E CB 0.735 30.428 29.700 -0.011 0.000 0.971 210 E HN 0.661 nan 8.360 nan 0.000 0.478 211 V N 1.693 121.544 119.914 -0.105 0.000 3.431 211 V HA 0.497 4.615 4.120 -0.003 0.000 0.253 211 V C 0.511 176.578 176.094 -0.044 0.000 1.184 211 V CA 0.544 62.788 62.300 -0.093 0.000 1.104 211 V CB 0.195 31.905 31.823 -0.188 0.000 0.799 211 V HN 0.534 nan 8.190 nan 0.000 0.462 212 A N -0.580 122.182 122.820 -0.096 0.000 2.594 212 A HA 0.841 5.159 4.320 -0.003 0.000 0.291 212 A C -0.521 176.924 177.584 -0.231 0.000 1.105 212 A CA -0.295 51.603 52.037 -0.230 0.000 0.694 212 A CB 1.817 20.599 19.000 -0.364 0.000 1.291 212 A HN 0.197 nan 8.150 nan 0.000 0.410 213 T N 1.151 115.505 114.554 -0.334 0.000 2.971 213 T HA 0.592 4.941 4.350 -0.003 0.000 0.304 213 T C -1.169 173.304 174.700 -0.379 0.000 1.038 213 T CA -0.232 61.710 62.100 -0.264 0.000 1.007 213 T CB 0.781 69.507 68.868 -0.236 0.000 1.055 213 T HN 0.546 nan 8.240 nan 0.000 0.451 214 L N 2.702 123.750 121.223 -0.291 0.000 2.349 214 L HA 0.833 5.172 4.340 -0.003 0.000 0.278 214 L C -0.715 175.723 176.870 -0.721 0.000 0.996 214 L CA -1.198 53.362 54.840 -0.466 0.000 0.825 214 L CB 1.662 43.584 42.059 -0.227 0.000 1.243 214 L HN 0.301 nan 8.230 nan 0.000 0.412 215 V N 2.219 121.583 119.914 -0.917 0.000 2.555 215 V HA 0.459 4.577 4.120 -0.003 0.000 0.302 215 V C -0.630 174.855 176.094 -1.015 0.000 1.038 215 V CA -0.380 61.440 62.300 -0.801 0.000 0.887 215 V CB 1.813 33.336 31.823 -0.500 0.000 0.991 215 V HN 0.453 nan 8.190 nan 0.000 0.434 216 F N 3.691 123.509 119.950 -0.221 0.000 2.310 216 F HA 0.522 5.048 4.527 -0.003 0.000 0.365 216 F C 0.384 176.198 175.800 0.022 0.000 1.080 216 F CA -0.349 57.490 58.000 -0.269 0.000 1.187 216 F CB 0.842 39.425 39.000 -0.695 0.000 1.465 216 F HN 0.267 nan 8.300 nan 0.000 0.496 217 M N 3.794 123.520 119.600 0.210 0.000 2.146 217 M HA 0.185 4.663 4.480 -0.003 0.000 0.352 217 M C 0.329 176.703 176.300 0.123 0.000 1.343 217 M CA 0.375 55.761 55.300 0.144 0.000 1.115 217 M CB 0.858 33.514 32.600 0.095 0.000 1.657 217 M HN 0.635 nan 8.290 nan 0.000 0.471 218 Q N 2.849 122.628 119.800 -0.036 0.000 1.989 218 Q HA 0.239 4.578 4.340 -0.003 0.000 0.215 218 Q C -1.345 174.337 176.000 -0.530 0.000 0.809 218 Q CA -0.228 55.411 55.803 -0.273 0.000 1.024 218 Q CB 0.380 28.914 28.738 -0.339 0.000 1.236 218 Q HN 0.620 nan 8.270 nan 0.000 0.429 219 Y N 1.587 121.890 120.300 0.006 0.000 2.512 219 Y HA 0.519 5.068 4.550 -0.002 0.000 0.348 219 Y C -0.453 175.505 175.900 0.096 0.000 0.990 219 Y CA -0.962 57.152 58.100 0.023 0.000 1.033 219 Y CB 2.166 40.552 38.460 -0.123 0.000 1.259 219 Y HN -0.001 nan 8.280 nan 0.000 0.461 220 K N 1.042 121.694 120.400 0.421 0.000 2.443 220 K HA 0.565 4.883 4.320 -0.003 0.000 0.251 220 K C -1.275 175.601 176.600 0.460 0.000 0.972 220 K CA -1.390 55.124 56.287 0.378 0.000 0.833 220 K CB 1.952 34.573 32.500 0.201 0.000 1.317 220 K HN 0.216 nan 8.250 nan 0.000 0.441 221 K N 1.054 121.605 120.400 0.252 0.000 2.355 221 K HA 0.185 4.504 4.320 -0.003 0.000 0.270 221 K C 0.688 177.255 176.600 -0.055 0.000 1.003 221 K CA 1.266 57.504 56.287 -0.083 0.000 0.957 221 K CB 0.887 33.309 32.500 -0.130 0.000 0.939 221 K HN 0.923 nan 8.250 nan 0.000 0.482 222 A N 4.301 127.039 122.820 -0.136 0.000 5.468 222 A HA -0.256 4.062 4.320 -0.003 0.000 0.338 222 A C -1.988 175.585 177.584 -0.018 0.000 1.722 222 A CA 0.880 52.868 52.037 -0.081 0.000 0.740 222 A CB -2.671 16.269 19.000 -0.100 0.000 1.424 222 A HN 0.653 nan 8.150 nan 0.000 0.408 223 P HA 0.554 nan 4.420 nan 0.000 0.279 223 P C 0.111 177.388 177.300 -0.039 0.000 1.276 223 P CA -0.442 62.636 63.100 -0.037 0.000 0.801 223 P CB 0.371 32.056 31.700 -0.026 0.000 1.127 229 D N 1.237 121.651 120.400 0.024 0.000 3.453 229 D HA 0.059 4.697 4.640 -0.003 0.000 0.312 229 D C -0.194 176.129 176.300 0.040 0.000 1.349 229 D CA 0.110 54.126 54.000 0.026 0.000 0.739 229 D CB 0.370 41.180 40.800 0.017 0.000 1.312 229 D HN 0.305 nan 8.370 nan 0.000 0.628 230 Q N 0.082 119.915 119.800 0.055 0.000 2.465 230 Q HA 0.301 4.639 4.340 -0.003 0.000 0.361 230 Q C 0.248 176.311 176.000 0.105 0.000 0.957 230 Q CA -0.575 55.274 55.803 0.077 0.000 1.065 230 Q CB 0.633 29.419 28.738 0.081 0.000 1.274 230 Q HN 0.100 nan 8.270 nan 0.000 0.421 231 V N -1.453 118.510 119.914 0.081 0.000 2.713 231 V HA 0.839 4.957 4.120 -0.003 0.000 0.307 231 V C -0.022 176.115 176.094 0.071 0.000 1.052 231 V CA -0.818 61.532 62.300 0.083 0.000 0.967 231 V CB 1.685 33.533 31.823 0.041 0.000 1.019 231 V HN 0.283 nan 8.190 nan 0.000 0.459 232 V N 1.757 121.709 119.914 0.063 0.000 2.638 232 V HA 0.731 4.849 4.120 -0.003 0.000 0.306 232 V C -0.277 175.836 176.094 0.033 0.000 1.052 232 V CA -0.682 61.630 62.300 0.021 0.000 0.885 232 V CB 1.217 33.029 31.823 -0.018 0.000 0.999 232 V HN 0.848 nan 8.190 nan 0.000 0.424 233 V N 5.763 125.693 119.914 0.026 0.000 2.488 233 V HA 0.303 4.421 4.120 -0.003 0.000 0.277 233 V C 0.836 176.979 176.094 0.081 0.000 1.046 233 V CA 0.378 62.708 62.300 0.051 0.000 0.986 233 V CB 1.045 32.874 31.823 0.011 0.000 0.989 233 V HN 0.933 nan 8.190 nan 0.000 0.475 234 I N 3.675 124.343 120.570 0.164 0.000 2.729 234 I HA 0.161 4.329 4.170 -0.003 0.000 0.256 234 I C 1.441 177.604 176.117 0.076 0.000 1.115 234 I CA 1.014 62.379 61.300 0.108 0.000 1.446 234 I CB 0.179 38.157 38.000 -0.037 0.000 1.176 234 I HN 0.504 nan 8.210 nan 0.000 0.446 235 K N 0.187 120.635 120.400 0.081 0.000 3.209 235 K HA 0.393 4.711 4.320 -0.003 0.000 0.202 235 K C 0.073 176.677 176.600 0.006 0.000 1.109 235 K CA 0.390 56.690 56.287 0.021 0.000 0.968 235 K CB 1.035 33.521 32.500 -0.023 0.000 0.732 235 K HN 0.234 nan 8.250 nan 0.000 0.450 236 G N 1.707 110.512 108.800 0.008 0.000 2.149 236 G HA2 -0.243 3.716 3.960 -0.003 0.000 0.235 236 G HA3 -0.243 3.716 3.960 -0.003 0.000 0.235 236 G C -0.378 174.500 174.900 -0.036 0.000 1.018 236 G CA 0.226 45.316 45.100 -0.017 0.000 0.728 236 G HN 0.404 nan 8.290 nan 0.000 0.508 237 E N -0.769 119.412 120.200 -0.031 0.000 2.431 237 E HA 0.765 5.113 4.350 -0.003 0.000 0.268 237 E C -0.269 176.223 176.600 -0.180 0.000 0.953 237 E CA -1.006 55.313 56.400 -0.136 0.000 0.810 237 E CB 1.230 30.799 29.700 -0.218 0.000 1.369 237 E HN 0.193 nan 8.360 nan 0.000 0.440 238 K N 0.827 121.021 120.400 -0.344 0.000 2.274 238 K HA 0.519 4.837 4.320 -0.003 0.000 0.262 238 K C -1.287 175.016 176.600 -0.495 0.000 0.961 238 K CA -0.573 55.554 56.287 -0.266 0.000 0.833 238 K CB 0.995 33.400 32.500 -0.158 0.000 1.102 238 K HN 0.383 nan 8.250 nan 0.000 0.436 239 Y N 1.698 121.979 120.300 -0.032 0.000 2.570 239 Y HA 0.518 5.066 4.550 -0.003 0.000 0.345 239 Y C 0.144 176.098 175.900 0.090 0.000 1.014 239 Y CA -1.283 56.829 58.100 0.021 0.000 1.063 239 Y CB 1.479 39.923 38.460 -0.027 0.000 1.272 239 Y HN 0.433 nan 8.280 nan 0.000 0.477 240 I N -0.558 120.229 120.570 0.361 0.000 2.846 240 I HA 0.765 4.933 4.170 -0.003 0.000 0.307 240 I C -2.998 173.378 176.117 0.433 0.000 1.053 240 I CA -3.016 58.479 61.300 0.325 0.000 1.050 240 I CB 2.109 40.216 38.000 0.178 0.000 1.239 240 I HN 0.222 nan 8.210 nan 0.000 0.439 241 P HA 0.282 nan 4.420 nan 0.000 0.272 241 P C -0.990 176.323 177.300 0.021 0.000 1.230 241 P CA -0.367 62.764 63.100 0.052 0.000 0.788 241 P CB 0.595 32.306 31.700 0.017 0.000 0.949 242 M N -0.958 118.595 119.600 -0.078 0.000 2.591 242 M HA 0.498 4.976 4.480 -0.003 0.000 0.306 242 M C 0.557 176.825 176.300 -0.054 0.000 1.190 242 M CA -0.549 54.738 55.300 -0.021 0.000 0.889 242 M CB 2.386 34.997 32.600 0.018 0.000 1.728 242 M HN 0.146 nan 8.290 nan 0.000 0.458 243 E N 0.946 121.139 120.200 -0.012 0.000 2.049 243 E HA -0.072 4.276 4.350 -0.003 0.000 0.198 243 E C 0.067 176.641 176.600 -0.045 0.000 1.007 243 E CA 1.708 58.099 56.400 -0.015 0.000 0.809 243 E CB -0.141 29.578 29.700 0.031 0.000 0.749 243 E HN 0.798 nan 8.360 nan 0.000 0.450 244 T N 1.331 115.879 114.554 -0.010 0.000 2.900 244 T HA 0.134 4.483 4.350 -0.003 0.000 0.307 244 T C 0.142 174.736 174.700 -0.177 0.000 1.065 244 T CA 0.251 62.312 62.100 -0.065 0.000 1.105 244 T CB 0.773 69.648 68.868 0.012 0.000 0.979 244 T HN -0.044 nan 8.240 nan 0.000 0.544 245 K N 2.035 122.249 120.400 -0.310 0.000 2.559 245 K HA 0.523 4.841 4.320 -0.003 0.000 0.249 245 K C -1.305 175.101 176.600 -0.323 0.000 0.958 245 K CA -0.537 55.475 56.287 -0.458 0.000 0.901 245 K CB 1.719 33.614 32.500 -1.010 0.000 1.124 245 K HN 0.285 nan 8.250 nan 0.000 0.437 246 V N 2.919 122.813 119.914 -0.033 0.000 2.581 246 V HA 0.319 4.437 4.120 -0.003 0.000 0.303 246 V C -0.042 176.113 176.094 0.102 0.000 1.041 246 V CA -1.024 61.247 62.300 -0.047 0.000 0.907 246 V CB 1.999 33.803 31.823 -0.032 0.000 0.994 246 V HN 0.385 nan 8.190 nan 0.000 0.442 247 V N 3.259 123.107 119.914 -0.110 0.000 2.334 247 V HA 0.281 4.399 4.120 -0.003 0.000 0.267 247 V C -0.242 175.719 176.094 -0.222 0.000 1.040 247 V CA -0.208 62.015 62.300 -0.129 0.000 0.866 247 V CB 1.120 32.831 31.823 -0.187 0.000 1.019 247 V HN 0.918 nan 8.190 nan 0.000 0.468 248 D N 4.436 124.671 120.400 -0.275 0.000 2.427 248 D HA 0.413 5.051 4.640 -0.003 0.000 0.226 248 D C 0.171 176.183 176.300 -0.482 0.000 1.076 248 D CA -0.134 53.725 54.000 -0.235 0.000 0.849 248 D CB 1.363 41.999 40.800 -0.272 0.000 1.052 248 D HN 0.635 nan 8.370 nan 0.000 0.515 249 T N 0.381 114.588 114.554 -0.578 0.000 2.940 249 T HA 0.843 5.191 4.350 -0.003 0.000 0.288 249 T C 0.297 174.730 174.700 -0.445 0.000 1.033 249 T CA -1.124 60.615 62.100 -0.602 0.000 1.033 249 T CB 1.982 70.392 68.868 -0.764 0.000 1.079 249 T HN 0.299 nan 8.240 nan 0.000 0.496 250 G N 0.876 109.415 108.800 -0.436 0.000 2.618 250 G HA2 0.529 4.487 3.960 -0.003 0.000 0.280 250 G HA3 0.529 4.487 3.960 -0.003 0.000 0.280 250 G C -1.781 172.931 174.900 -0.315 0.000 1.458 250 G CA -0.683 44.257 45.100 -0.268 0.000 1.224 250 G HN 0.666 nan 8.290 nan 0.000 0.576 251 Y N 1.508 121.723 120.300 -0.142 0.000 2.402 251 Y HA 0.455 5.003 4.550 -0.003 0.000 0.332 251 Y C 1.104 176.961 175.900 -0.071 0.000 0.960 251 Y CA -0.652 57.395 58.100 -0.089 0.000 1.228 251 Y CB 2.266 40.608 38.460 -0.197 0.000 1.120 251 Y HN 0.664 nan 8.280 nan 0.000 0.491 252 G N 4.103 112.961 108.800 0.096 0.000 2.428 252 G HA2 0.072 4.030 3.960 -0.003 0.000 0.290 252 G HA3 0.072 4.030 3.960 -0.003 0.000 0.290 252 G C 0.919 175.860 174.900 0.069 0.000 0.996 252 G CA -0.177 44.965 45.100 0.071 0.000 1.406 252 G HN 0.761 nan 8.290 nan 0.000 0.445 253 L N 2.976 124.225 121.223 0.043 0.000 1.955 253 L HA -0.077 4.262 4.340 -0.003 0.000 0.213 253 L C 2.525 179.408 176.870 0.022 0.000 1.072 253 L CA 2.213 57.063 54.840 0.016 0.000 0.755 253 L CB -0.736 41.312 42.059 -0.018 0.000 0.888 253 L HN 0.494 nan 8.230 nan 0.000 0.432 254 E N 0.038 120.214 120.200 -0.040 0.000 2.086 254 E HA -0.269 4.079 4.350 -0.003 0.000 0.205 254 E C 2.302 178.942 176.600 0.066 0.000 1.027 254 E CA 2.060 58.411 56.400 -0.082 0.000 0.830 254 E CB -0.387 29.048 29.700 -0.441 0.000 0.751 254 E HN 0.461 nan 8.360 nan 0.000 0.456 255 R N -0.064 120.475 120.500 0.064 0.000 2.081 255 R HA -0.069 4.269 4.340 -0.003 0.000 0.235 255 R C 2.554 178.907 176.300 0.087 0.000 1.131 255 R CA 1.195 57.380 56.100 0.141 0.000 0.960 255 R CB -0.528 29.808 30.300 0.060 0.000 0.856 255 R HN 0.225 nan 8.270 nan 0.000 0.436 256 L N 0.286 121.537 121.223 0.047 0.000 2.017 256 L HA -0.172 4.166 4.340 -0.003 0.000 0.208 256 L C 2.416 179.308 176.870 0.037 0.000 1.073 256 L CA 1.080 55.924 54.840 0.006 0.000 0.745 256 L CB -0.440 41.651 42.059 0.053 0.000 0.894 256 L HN 0.027 nan 8.230 nan 0.000 0.432 257 V N -1.417 118.559 119.914 0.104 0.000 2.515 257 V HA -0.257 3.861 4.120 -0.003 0.000 0.250 257 V C 2.035 178.281 176.094 0.254 0.000 1.058 257 V CA 1.377 63.776 62.300 0.166 0.000 1.064 257 V CB -0.628 31.296 31.823 0.168 0.000 0.675 257 V HN 0.615 nan 8.190 nan 0.000 0.461 258 W N 0.612 121.930 121.300 0.030 0.000 2.355 258 W HA -0.230 4.428 4.660 -0.003 0.000 0.309 258 W C 2.295 178.855 176.519 0.067 0.000 1.206 258 W CA 2.090 59.465 57.345 0.050 0.000 1.284 258 W CB -0.667 28.809 29.460 0.027 0.000 1.145 258 W HN 0.281 nan 8.180 nan 0.000 0.502 259 M N 1.222 120.818 119.600 -0.005 0.000 2.149 259 M HA -0.169 4.309 4.480 -0.003 0.000 0.261 259 M C 1.932 178.225 176.300 -0.011 0.000 1.064 259 M CA 2.344 57.498 55.300 -0.244 0.000 1.102 259 M CB -1.009 31.404 32.600 -0.312 0.000 1.369 259 M HN 0.072 nan 8.290 nan 0.000 0.408 260 S N -1.499 114.259 115.700 0.097 0.000 2.768 260 S HA 0.193 4.662 4.470 -0.003 0.000 0.246 260 S C 1.076 175.794 174.600 0.196 0.000 1.006 260 S CA 0.124 58.437 58.200 0.189 0.000 1.075 260 S CB 0.078 63.502 63.200 0.373 0.000 0.786 260 S HN 0.671 nan 8.310 nan 0.000 0.468 261 Q N -0.125 119.788 119.800 0.187 0.000 2.288 261 Q HA 0.307 4.645 4.340 -0.003 0.000 0.213 261 Q C 1.197 177.313 176.000 0.194 0.000 0.724 261 Q CA 0.711 56.634 55.803 0.200 0.000 0.902 261 Q CB 0.060 28.949 28.738 0.251 0.000 1.286 261 Q HN 0.694 nan 8.270 nan 0.000 0.458 262 G N 1.749 110.680 108.800 0.218 0.000 2.187 262 G HA2 -0.344 3.614 3.960 -0.003 0.000 0.261 262 G HA3 -0.344 3.614 3.960 -0.003 0.000 0.261 262 G C 0.342 175.336 174.900 0.157 0.000 1.000 262 G CA 0.768 45.952 45.100 0.140 0.000 0.718 262 G HN 0.539 nan 8.290 nan 0.000 0.519 263 T N -2.137 112.592 114.554 0.291 0.000 2.680 263 T HA 0.447 4.796 4.350 -0.003 0.000 0.314 263 T C -0.684 174.166 174.700 0.250 0.000 1.045 263 T CA -0.326 61.907 62.100 0.223 0.000 1.025 263 T CB 1.184 70.161 68.868 0.182 0.000 1.000 263 T HN -0.002 nan 8.240 nan 0.000 0.535 264 P HA 0.130 nan 4.420 nan 0.000 0.225 264 P C 0.524 177.799 177.300 -0.041 0.000 1.156 264 P CA 0.647 63.772 63.100 0.041 0.000 0.787 264 P CB 0.021 31.715 31.700 -0.010 0.000 0.802 265 T N -5.811 108.554 114.554 -0.316 0.000 2.900 265 T HA 0.672 5.020 4.350 -0.003 0.000 0.303 265 T C 0.909 174.677 174.700 -1.554 0.000 1.142 265 T CA -0.412 61.075 62.100 -1.022 0.000 1.007 265 T CB 1.683 69.970 68.868 -0.969 0.000 1.156 265 T HN -0.119 nan 8.240 nan 0.000 0.490 266 A N 0.372 121.738 122.820 -2.423 0.000 2.076 266 A HA 0.028 4.346 4.320 -0.003 0.000 0.220 266 A C 1.578 178.837 177.584 -0.541 0.000 1.160 266 A CA 1.200 52.392 52.037 -1.408 0.000 0.653 266 A CB -1.198 17.285 19.000 -0.861 0.000 0.801 266 A HN 0.870 nan 8.150 nan 0.000 0.455 267 Y N 0.254 120.231 120.300 -0.538 0.000 2.220 267 Y HA -0.105 4.443 4.550 -0.003 0.000 0.291 267 Y C 2.142 177.967 175.900 -0.125 0.000 1.129 267 Y CA 0.512 58.409 58.100 -0.338 0.000 1.161 267 Y CB -0.718 37.289 38.460 -0.755 0.000 0.997 267 Y HN 0.274 nan 8.280 nan 0.000 0.522 268 D N 0.106 120.478 120.400 -0.047 0.000 2.149 268 D HA -0.157 4.481 4.640 -0.003 0.000 0.198 268 D C 2.218 178.578 176.300 0.100 0.000 0.990 268 D CA 1.540 55.594 54.000 0.090 0.000 0.839 268 D CB -0.223 40.621 40.800 0.075 0.000 0.948 268 D HN 0.384 nan 8.370 nan 0.000 0.460 269 A N 0.612 123.456 122.820 0.041 0.000 1.930 269 A HA -0.059 4.259 4.320 -0.003 0.000 0.215 269 A C 2.377 180.067 177.584 0.177 0.000 1.176 269 A CA 1.579 53.690 52.037 0.123 0.000 0.632 269 A CB -0.245 18.846 19.000 0.151 0.000 0.819 269 A HN 0.242 nan 8.150 nan 0.000 0.445 270 V N -3.799 116.236 119.914 0.203 0.000 3.085 270 V HA 0.338 4.456 4.120 -0.003 0.000 0.245 270 V C 1.065 177.391 176.094 0.388 0.000 1.114 270 V CA 0.592 63.056 62.300 0.273 0.000 1.108 270 V CB -0.326 31.634 31.823 0.228 0.000 0.798 270 V HN 0.229 nan 8.190 nan 0.000 0.471 271 L N 1.831 123.256 121.223 0.335 0.000 3.047 271 L HA 0.589 4.927 4.340 -0.003 0.000 0.242 271 L C 1.855 178.800 176.870 0.125 0.000 1.315 271 L CA 0.384 55.361 54.840 0.230 0.000 1.042 271 L CB 0.367 42.548 42.059 0.204 0.000 1.420 271 L HN 0.316 nan 8.230 nan 0.000 0.517 272 G N 0.026 108.978 108.800 0.253 0.000 2.403 272 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.216 272 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.216 272 G C 1.245 176.243 174.900 0.163 0.000 1.154 272 G CA 0.548 45.769 45.100 0.201 0.000 0.784 272 G HN 0.672 nan 8.290 nan 0.000 0.538 273 Y N -0.366 119.993 120.300 0.098 0.000 2.680 273 Y HA 0.351 4.899 4.550 -0.003 0.000 0.303 273 Y C 1.595 177.502 175.900 0.011 0.000 1.166 273 Y CA 0.153 58.290 58.100 0.061 0.000 1.344 273 Y CB -0.178 38.327 38.460 0.074 0.000 1.002 273 Y HN 0.025 nan 8.280 nan 0.000 0.537 274 V N -2.010 117.692 119.914 -0.353 0.000 3.159 274 V HA -0.057 4.062 4.120 -0.003 0.000 0.234 274 V C 1.970 177.961 176.094 -0.171 0.000 1.313 274 V CA 0.585 62.668 62.300 -0.362 0.000 1.271 274 V CB 0.250 31.702 31.823 -0.618 0.000 1.053 274 V HN 0.209 nan 8.190 nan 0.000 0.476 275 V N 0.649 120.504 119.914 -0.097 0.000 2.237 275 V HA -0.188 3.930 4.120 -0.003 0.000 0.245 275 V C 2.630 178.705 176.094 -0.032 0.000 1.046 275 V CA 2.242 64.528 62.300 -0.023 0.000 1.007 275 V CB -0.498 31.397 31.823 0.120 0.000 0.638 275 V HN 0.541 nan 8.190 nan 0.000 0.445 276 E N -0.375 119.832 120.200 0.011 0.000 2.077 276 E HA -0.157 4.191 4.350 -0.003 0.000 0.193 276 E C 0.271 176.861 176.600 -0.016 0.000 0.989 276 E CA 1.560 57.968 56.400 0.013 0.000 0.800 276 E CB -1.919 27.812 29.700 0.052 0.000 0.746 276 E HN 0.507 nan 8.360 nan 0.000 0.452 277 P HA -0.142 nan 4.420 nan 0.000 0.214 277 P C 1.734 179.001 177.300 -0.055 0.000 1.163 277 P CA 1.035 64.118 63.100 -0.028 0.000 0.889 277 P CB -0.146 31.536 31.700 -0.029 0.000 0.790 278 L N -1.271 119.905 121.223 -0.079 0.000 2.353 278 L HA -0.175 4.164 4.340 -0.003 0.000 0.220 278 L C 2.158 178.952 176.870 -0.127 0.000 1.133 278 L CA 1.460 56.239 54.840 -0.102 0.000 0.798 278 L CB -0.464 41.522 42.059 -0.121 0.000 0.922 278 L HN 0.019 nan 8.230 nan 0.000 0.445 279 K N -0.322 120.002 120.400 -0.128 0.000 2.116 279 K HA -0.083 4.235 4.320 -0.003 0.000 0.203 279 K C 2.080 178.609 176.600 -0.119 0.000 1.052 279 K CA 0.782 56.970 56.287 -0.165 0.000 0.952 279 K CB 0.119 32.524 32.500 -0.158 0.000 0.729 279 K HN 0.245 nan 8.250 nan 0.000 0.446 280 K N 0.740 121.094 120.400 -0.077 0.000 2.002 280 K HA -0.087 4.232 4.320 -0.003 0.000 0.209 280 K C 2.141 178.705 176.600 -0.059 0.000 1.048 280 K CA 1.489 57.743 56.287 -0.055 0.000 0.930 280 K CB -0.236 32.243 32.500 -0.034 0.000 0.714 280 K HN 0.110 nan 8.250 nan 0.000 0.438 281 M N 0.875 120.439 119.600 -0.060 0.000 2.202 281 M HA -0.163 4.315 4.480 -0.003 0.000 0.262 281 M C 2.361 178.621 176.300 -0.067 0.000 1.063 281 M CA 1.683 56.949 55.300 -0.056 0.000 1.097 281 M CB -0.430 32.137 32.600 -0.055 0.000 1.382 281 M HN 0.250 nan 8.290 nan 0.000 0.413 282 A N -0.356 122.410 122.820 -0.091 0.000 2.123 282 A HA 0.289 4.607 4.320 -0.003 0.000 0.214 282 A C 1.789 179.317 177.584 -0.093 0.000 1.152 282 A CA 0.902 52.878 52.037 -0.102 0.000 0.728 282 A CB -0.826 18.086 19.000 -0.146 0.000 0.814 282 A HN 0.633 nan 8.150 nan 0.000 0.464 283 G N 0.093 108.841 108.800 -0.086 0.000 2.203 283 G HA2 -0.287 3.672 3.960 -0.003 0.000 0.263 283 G HA3 -0.287 3.672 3.960 -0.003 0.000 0.263 283 G C 0.266 175.115 174.900 -0.085 0.000 1.012 283 G CA 0.480 45.537 45.100 -0.071 0.000 0.749 283 G HN 1.353 nan 8.290 nan 0.000 0.512 284 I N -2.438 118.056 120.570 -0.127 0.000 2.836 284 I HA 0.667 4.835 4.170 -0.003 0.000 0.285 284 I C 0.208 176.256 176.117 -0.114 0.000 1.174 284 I CA -0.722 60.485 61.300 -0.155 0.000 1.405 284 I CB 0.607 38.437 38.000 -0.284 0.000 1.385 284 I HN 0.047 nan 8.210 nan 0.000 0.594 285 E N 3.050 123.206 120.200 -0.074 0.000 2.197 285 E HA 0.316 4.665 4.350 -0.003 0.000 0.281 285 E C -0.982 175.644 176.600 0.044 0.000 0.995 285 E CA -0.909 55.481 56.400 -0.015 0.000 0.808 285 E CB 0.818 30.517 29.700 -0.002 0.000 1.093 285 E HN 0.444 nan 8.360 nan 0.000 0.394 286 K N 2.948 123.387 120.400 0.066 0.000 2.250 286 K HA 0.070 4.388 4.320 -0.003 0.000 0.277 286 K C 0.315 176.990 176.600 0.125 0.000 1.091 286 K CA 0.120 56.487 56.287 0.134 0.000 1.046 286 K CB -0.498 32.059 32.500 0.094 0.000 0.982 286 K HN 0.603 nan 8.250 nan 0.000 0.429 287 I N 1.517 122.202 120.570 0.191 0.000 3.055 287 I HA -0.190 3.979 4.170 -0.003 0.000 0.308 287 I C 0.333 176.470 176.117 0.035 0.000 1.224 287 I CA 0.444 61.808 61.300 0.107 0.000 1.443 287 I CB 0.449 38.486 38.000 0.062 0.000 1.318 287 I HN 0.721 nan 8.210 nan 0.000 0.577 288 D N 5.654 126.066 120.400 0.021 0.000 2.493 288 D HA -0.096 4.542 4.640 -0.003 0.000 0.240 288 D C 0.717 177.011 176.300 -0.009 0.000 1.142 288 D CA 0.308 54.312 54.000 0.006 0.000 0.872 288 D CB 1.289 42.091 40.800 0.003 0.000 1.173 288 D HN 0.592 nan 8.370 nan 0.000 0.467 289 E N 2.767 122.963 120.200 -0.007 0.000 2.047 289 E HA -0.140 4.208 4.350 -0.003 0.000 0.191 289 E C 1.479 178.069 176.600 -0.018 0.000 0.987 289 E CA 1.027 57.419 56.400 -0.014 0.000 0.799 289 E CB 0.110 29.807 29.700 -0.006 0.000 0.752 289 E HN 0.343 nan 8.360 nan 0.000 0.449 290 K N 0.128 120.521 120.400 -0.013 0.000 2.442 290 K HA -0.092 4.226 4.320 -0.003 0.000 0.198 290 K C 1.706 178.296 176.600 -0.017 0.000 1.044 290 K CA 0.722 57.001 56.287 -0.013 0.000 0.948 290 K CB -0.050 32.444 32.500 -0.009 0.000 0.762 290 K HN 0.273 nan 8.250 nan 0.000 0.472 291 I N -0.274 120.285 120.570 -0.019 0.000 2.556 291 I HA -0.203 3.966 4.170 -0.003 0.000 0.251 291 I C 2.124 178.218 176.117 -0.038 0.000 1.105 291 I CA 0.124 61.410 61.300 -0.024 0.000 1.436 291 I CB -0.155 37.834 38.000 -0.019 0.000 1.139 291 I HN 0.014 nan 8.210 nan 0.000 0.438 292 L N 0.649 121.841 121.223 -0.052 0.000 2.046 292 L HA -0.163 4.175 4.340 -0.003 0.000 0.208 292 L C 2.300 179.134 176.870 -0.059 0.000 1.077 292 L CA 2.020 56.810 54.840 -0.084 0.000 0.747 292 L CB -0.393 41.601 42.059 -0.108 0.000 0.896 292 L HN 0.139 nan 8.230 nan 0.000 0.432 293 M N -1.168 118.408 119.600 -0.040 0.000 2.334 293 M HA 0.009 4.487 4.480 -0.003 0.000 0.266 293 M C 1.624 177.910 176.300 -0.022 0.000 1.082 293 M CA 0.877 56.158 55.300 -0.032 0.000 1.141 293 M CB -0.871 31.711 32.600 -0.030 0.000 1.380 293 M HN 0.173 nan 8.290 nan 0.000 0.440 294 E N -0.128 120.060 120.200 -0.020 0.000 2.494 294 E HA -0.014 4.334 4.350 -0.003 0.000 0.193 294 E C 1.155 177.749 176.600 -0.010 0.000 1.074 294 E CA 0.361 56.753 56.400 -0.014 0.000 0.867 294 E CB -0.533 29.158 29.700 -0.015 0.000 0.924 294 E HN 0.534 nan 8.360 nan 0.000 0.502 295 N N -0.961 117.733 118.700 -0.009 0.000 2.516 295 N HA 0.005 4.743 4.740 -0.003 0.000 0.197 295 N C 1.613 177.144 175.510 0.035 0.000 1.064 295 N CA 0.484 53.534 53.050 0.001 0.000 0.866 295 N CB 0.117 38.595 38.487 -0.015 0.000 1.255 295 N HN -0.166 nan 8.380 nan 0.000 0.447 296 S N 0.068 115.783 115.700 0.025 0.000 2.382 296 S HA -0.061 4.407 4.470 -0.003 0.000 0.228 296 S C 1.875 176.558 174.600 0.139 0.000 1.027 296 S CA 1.082 59.316 58.200 0.057 0.000 0.991 296 S CB -0.186 63.015 63.200 0.000 0.000 0.823 296 S HN 0.328 nan 8.310 nan 0.000 0.469 297 R N 0.448 121.001 120.500 0.088 0.000 2.062 297 R HA 0.107 4.445 4.340 -0.003 0.000 0.229 297 R C 1.684 178.055 176.300 0.118 0.000 1.128 297 R CA 1.225 57.389 56.100 0.108 0.000 0.960 297 R CB -0.141 30.172 30.300 0.021 0.000 0.855 297 R HN 0.379 nan 8.270 nan 0.000 0.432 298 L N -0.168 121.095 121.223 0.066 0.000 2.591 298 L HA 0.276 4.615 4.340 -0.003 0.000 0.228 298 L C 2.075 178.976 176.870 0.052 0.000 1.133 298 L CA 0.200 55.057 54.840 0.029 0.000 0.880 298 L CB -0.016 42.049 42.059 0.010 0.000 1.033 298 L HN 0.194 nan 8.230 nan 0.000 0.450 299 A N 1.011 123.904 122.820 0.123 0.000 1.969 299 A HA -0.039 4.279 4.320 -0.003 0.000 0.218 299 A C 2.312 179.996 177.584 0.167 0.000 1.169 299 A CA 1.502 53.642 52.037 0.172 0.000 0.635 299 A CB -0.840 18.306 19.000 0.243 0.000 0.810 299 A HN 0.416 nan 8.150 nan 0.000 0.445 300 G N -1.463 107.320 108.800 -0.028 0.000 2.679 300 G HA2 0.036 3.995 3.960 -0.003 0.000 0.212 300 G HA3 0.036 3.995 3.960 -0.003 0.000 0.212 300 G C 1.126 175.940 174.900 -0.143 0.000 1.137 300 G CA 0.557 45.485 45.100 -0.288 0.000 0.787 300 G HN 0.360 nan 8.290 nan 0.000 0.534 301 M N -0.354 119.237 119.600 -0.016 0.000 2.561 301 M HA 0.393 4.871 4.480 -0.003 0.000 0.238 301 M C -0.575 175.865 176.300 0.232 0.000 1.131 301 M CA 0.104 55.450 55.300 0.077 0.000 1.046 301 M CB -0.282 32.388 32.600 0.117 0.000 1.532 301 M HN 0.062 nan 8.290 nan 0.000 0.497 302 F N 0.167 120.123 119.950 0.010 0.000 2.562 302 F HA 0.354 4.880 4.527 -0.003 0.000 0.319 302 F C -0.501 175.337 175.800 0.063 0.000 1.154 302 F CA -1.328 56.696 58.000 0.039 0.000 0.931 302 F CB 1.394 40.424 39.000 0.049 0.000 1.198 302 F HN -0.046 nan 8.300 nan 0.000 0.444 303 D N 3.022 123.460 120.400 0.065 0.000 2.621 303 D HA 0.756 5.394 4.640 -0.003 0.000 0.255 303 D C -0.949 175.376 176.300 0.042 0.000 1.122 303 D CA -0.212 53.822 54.000 0.056 0.000 1.096 303 D CB 1.750 42.555 40.800 0.009 0.000 1.282 303 D HN 0.223 nan 8.370 nan 0.000 0.619 304 I N -0.456 120.133 120.570 0.031 0.000 2.569 304 I HA 0.435 4.603 4.170 -0.003 0.000 0.290 304 I C -0.391 175.740 176.117 0.024 0.000 1.088 304 I CA -0.688 60.641 61.300 0.048 0.000 1.047 304 I CB 2.154 40.213 38.000 0.100 0.000 1.237 304 I HN 0.138 nan 8.210 nan 0.000 0.421 310 L N 1.554 122.967 121.223 0.316 0.000 2.129 310 L HA -0.107 4.232 4.340 -0.003 0.000 0.212 310 L C 2.615 179.496 176.870 0.019 0.000 1.087 310 L CA 2.368 57.327 54.840 0.199 0.000 0.757 310 L CB -0.449 41.693 42.059 0.138 0.000 0.896 310 L HN 0.114 nan 8.230 nan 0.000 0.434 311 R N -1.013 119.478 120.500 -0.015 0.000 2.133 311 R HA -0.291 4.047 4.340 -0.003 0.000 0.245 311 R C 2.023 178.172 176.300 -0.252 0.000 1.137 311 R CA 2.783 58.760 56.100 -0.205 0.000 0.947 311 R CB -0.886 29.171 30.300 -0.405 0.000 0.865 311 R HN 0.561 nan 8.270 nan 0.000 0.437 312 Y N -0.194 120.088 120.300 -0.030 0.000 2.395 312 Y HA -0.018 4.530 4.550 -0.003 0.000 0.293 312 Y C 1.973 177.721 175.900 -0.253 0.000 1.123 312 Y CA 0.780 58.846 58.100 -0.056 0.000 1.227 312 Y CB -0.320 38.185 38.460 0.075 0.000 1.012 312 Y HN 0.155 nan 8.280 nan 0.000 0.552 313 L N 0.367 121.283 121.223 -0.512 0.000 2.046 313 L HA -0.171 4.167 4.340 -0.003 0.000 0.208 313 L C 2.270 178.916 176.870 -0.374 0.000 1.077 313 L CA 1.682 55.988 54.840 -0.890 0.000 0.747 313 L CB -0.306 40.862 42.059 -1.485 0.000 0.896 313 L HN -0.023 nan 8.230 nan 0.000 0.432 314 R N 0.317 120.665 120.500 -0.252 0.000 2.120 314 R HA -0.119 4.219 4.340 -0.003 0.000 0.234 314 R C 2.061 178.294 176.300 -0.112 0.000 1.123 314 R CA 1.649 57.660 56.100 -0.150 0.000 0.975 314 R CB -0.594 29.635 30.300 -0.119 0.000 0.866 314 R HN 0.637 nan 8.270 nan 0.000 0.446 315 E N -0.034 120.104 120.200 -0.103 0.000 2.299 315 E HA -0.141 4.207 4.350 -0.003 0.000 0.193 315 E C 1.679 178.255 176.600 -0.040 0.000 0.998 315 E CA 0.418 56.784 56.400 -0.056 0.000 0.851 315 E CB 0.107 29.790 29.700 -0.027 0.000 0.795 315 E HN 0.128 nan 8.360 nan 0.000 0.492 316 Q N 0.451 120.213 119.800 -0.064 0.000 2.398 316 Q HA 0.007 4.345 4.340 -0.003 0.000 0.204 316 Q C 1.651 177.619 176.000 -0.053 0.000 0.932 316 Q CA 0.300 56.075 55.803 -0.047 0.000 0.916 316 Q CB 0.677 29.382 28.738 -0.055 0.000 1.024 316 Q HN 0.135 nan 8.270 nan 0.000 0.504 317 V N -0.902 118.969 119.914 -0.073 0.000 3.263 317 V HA 0.251 4.369 4.120 -0.003 0.000 0.248 317 V C 1.608 177.678 176.094 -0.040 0.000 1.145 317 V CA 1.156 63.424 62.300 -0.054 0.000 1.107 317 V CB 0.057 31.842 31.823 -0.063 0.000 0.797 317 V HN 0.352 nan 8.190 nan 0.000 0.467 318 A N 0.335 123.129 122.820 -0.044 0.000 1.835 318 A HA -0.231 4.087 4.320 -0.003 0.000 0.215 318 A C 2.203 179.773 177.584 -0.023 0.000 1.199 318 A CA 2.263 54.280 52.037 -0.033 0.000 0.615 318 A CB -0.716 18.262 19.000 -0.037 0.000 0.838 318 A HN 0.509 nan 8.150 nan 0.000 0.444 319 K N -0.982 119.407 120.400 -0.019 0.000 2.113 319 K HA -0.173 4.145 4.320 -0.003 0.000 0.208 319 K C 2.467 179.061 176.600 -0.011 0.000 1.047 319 K CA 1.547 57.828 56.287 -0.011 0.000 0.928 319 K CB -0.155 32.342 32.500 -0.004 0.000 0.716 319 K HN 0.349 nan 8.250 nan 0.000 0.446 320 R N 0.200 120.692 120.500 -0.015 0.000 2.061 320 R HA -0.102 4.236 4.340 -0.003 0.000 0.230 320 R C 2.168 178.461 176.300 -0.013 0.000 1.140 320 R CA 1.594 57.687 56.100 -0.013 0.000 0.940 320 R CB -0.392 29.899 30.300 -0.015 0.000 0.839 320 R HN 0.046 nan 8.270 nan 0.000 0.429 321 V N -0.964 118.940 119.914 -0.016 0.000 2.427 321 V HA -0.067 4.052 4.120 -0.003 0.000 0.248 321 V C 1.475 177.561 176.094 -0.012 0.000 1.051 321 V CA 1.797 64.088 62.300 -0.015 0.000 1.048 321 V CB -0.149 31.664 31.823 -0.017 0.000 0.666 321 V HN 0.804 nan 8.190 nan 0.000 0.456 322 G N 0.023 108.815 108.800 -0.013 0.000 2.155 322 G HA2 -0.103 3.855 3.960 -0.003 0.000 0.130 322 G HA3 -0.103 3.855 3.960 -0.003 0.000 0.130 322 G C -0.002 174.892 174.900 -0.011 0.000 1.027 322 G CA -0.030 45.064 45.100 -0.010 0.000 0.705 322 G HN 0.582 nan 8.290 nan 0.000 0.496 323 I N -2.066 118.496 120.570 -0.013 0.000 3.294 323 I HA 0.860 5.028 4.170 -0.003 0.000 0.311 323 I C 0.618 176.726 176.117 -0.016 0.000 1.111 323 I CA -0.709 60.583 61.300 -0.013 0.000 0.976 323 I CB 1.324 39.316 38.000 -0.013 0.000 1.260 323 I HN 0.097 nan 8.210 nan 0.000 0.474 324 T N -0.158 114.385 114.554 -0.017 0.000 2.828 324 T HA 0.258 4.607 4.350 -0.003 0.000 0.290 324 T C 1.420 176.105 174.700 -0.026 0.000 1.019 324 T CA -0.246 61.842 62.100 -0.021 0.000 1.031 324 T CB 1.476 70.332 68.868 -0.019 0.000 1.001 324 T HN 0.640 nan 8.240 nan 0.000 0.531 325 V N -0.351 119.544 119.914 -0.033 0.000 2.287 325 V HA -0.184 3.934 4.120 -0.003 0.000 0.248 325 V C 2.353 178.425 176.094 -0.035 0.000 1.053 325 V CA 1.872 64.147 62.300 -0.041 0.000 1.027 325 V CB -1.454 30.335 31.823 -0.055 0.000 0.646 325 V HN 0.823 nan 8.190 nan 0.000 0.447 326 E N 0.676 120.857 120.200 -0.031 0.000 2.118 326 E HA -0.208 4.140 4.350 -0.003 0.000 0.195 326 E C 2.149 178.736 176.600 -0.021 0.000 0.992 326 E CA 1.629 58.014 56.400 -0.026 0.000 0.804 326 E CB -0.438 29.247 29.700 -0.024 0.000 0.741 326 E HN 0.818 nan 8.360 nan 0.000 0.458 327 E N 0.060 120.248 120.200 -0.019 0.000 2.110 327 E HA -0.155 4.193 4.350 -0.003 0.000 0.193 327 E C 1.768 178.361 176.600 -0.013 0.000 0.988 327 E CA 0.743 57.135 56.400 -0.015 0.000 0.804 327 E CB -0.086 29.606 29.700 -0.014 0.000 0.745 327 E HN 0.255 nan 8.360 nan 0.000 0.458 328 L N 0.305 121.517 121.223 -0.017 0.000 2.127 328 L HA 0.028 4.366 4.340 -0.003 0.000 0.203 328 L C 2.169 179.032 176.870 -0.013 0.000 1.080 328 L CA 1.741 56.572 54.840 -0.016 0.000 0.768 328 L CB -0.562 41.482 42.059 -0.024 0.000 0.924 328 L HN 0.122 nan 8.230 nan 0.000 0.444 329 E N 0.802 120.990 120.200 -0.020 0.000 2.035 329 E HA -0.366 3.982 4.350 -0.003 0.000 0.204 329 E C 2.185 178.777 176.600 -0.014 0.000 1.025 329 E CA 2.313 58.701 56.400 -0.020 0.000 0.835 329 E CB -0.445 29.238 29.700 -0.028 0.000 0.764 329 E HN 0.371 nan 8.360 nan 0.000 0.457 330 K N -0.057 120.334 120.400 -0.015 0.000 2.108 330 K HA -0.318 4.000 4.320 -0.003 0.000 0.219 330 K C 1.948 178.550 176.600 0.003 0.000 1.054 330 K CA 2.647 58.926 56.287 -0.012 0.000 0.945 330 K CB -0.950 31.543 32.500 -0.011 0.000 0.728 330 K HN 0.287 nan 8.250 nan 0.000 0.462 331 A N -0.063 122.767 122.820 0.017 0.000 1.854 331 A HA -0.026 4.292 4.320 -0.003 0.000 0.214 331 A C 2.139 179.788 177.584 0.109 0.000 1.192 331 A CA 1.777 53.844 52.037 0.050 0.000 0.611 331 A CB -0.639 18.379 19.000 0.030 0.000 0.832 331 A HN 0.477 nan 8.150 nan 0.000 0.442 332 I N -2.402 118.212 120.570 0.073 0.000 2.703 332 I HA 0.177 4.346 4.170 -0.003 0.000 0.259 332 I C 2.047 178.223 176.117 0.098 0.000 1.151 332 I CA 1.279 62.642 61.300 0.105 0.000 1.470 332 I CB -0.661 37.361 38.000 0.036 0.000 1.112 332 I HN 0.134 nan 8.210 nan 0.000 0.437 333 R N 1.998 122.513 120.500 0.024 0.000 2.134 333 R HA -0.160 4.178 4.340 -0.003 0.000 0.248 333 R C -0.511 175.739 176.300 -0.082 0.000 1.143 333 R CA 2.448 58.528 56.100 -0.032 0.000 0.957 333 R CB -2.044 28.229 30.300 -0.045 0.000 0.867 333 R HN 0.310 nan 8.270 nan 0.000 0.441 334 P HA -0.102 nan 4.420 nan 0.000 0.218 334 P C 0.598 177.711 177.300 -0.312 0.000 1.149 334 P CA 1.271 64.245 63.100 -0.210 0.000 0.817 334 P CB -0.112 31.438 31.700 -0.250 0.000 0.785 335 Y N 0.547 120.674 120.300 -0.289 0.000 2.220 335 Y HA -0.146 4.402 4.550 -0.003 0.000 0.291 335 Y C 2.430 177.970 175.900 -0.599 0.000 1.129 335 Y CA 1.134 58.918 58.100 -0.528 0.000 1.161 335 Y CB -0.692 37.531 38.460 -0.396 0.000 0.997 335 Y HN -0.000 nan 8.280 nan 0.000 0.522 336 E N 0.368 120.509 120.200 -0.100 0.000 2.049 336 E HA -0.242 4.106 4.350 -0.003 0.000 0.198 336 E C 2.161 178.634 176.600 -0.212 0.000 1.007 336 E CA 1.694 58.055 56.400 -0.067 0.000 0.809 336 E CB -0.698 28.972 29.700 -0.050 0.000 0.749 336 E HN 0.489 nan 8.360 nan 0.000 0.450 337 L N 0.878 121.927 121.223 -0.291 0.000 2.017 337 L HA -0.184 4.154 4.340 -0.003 0.000 0.208 337 L C 2.694 179.407 176.870 -0.263 0.000 1.073 337 L CA 1.029 55.650 54.840 -0.365 0.000 0.745 337 L CB -0.514 41.334 42.059 -0.351 0.000 0.894 337 L HN 0.107 nan 8.230 nan 0.000 0.432 338 I N -1.319 119.062 120.570 -0.314 0.000 2.163 338 I HA -0.339 3.830 4.170 -0.003 0.000 0.243 338 I C 2.641 178.614 176.117 -0.241 0.000 1.085 338 I CA 1.558 62.679 61.300 -0.297 0.000 1.347 338 I CB -0.548 37.217 38.000 -0.393 0.000 1.044 338 I HN 0.166 nan 8.210 nan 0.000 0.408 339 Y N 1.132 121.276 120.300 -0.261 0.000 2.070 339 Y HA -0.246 4.302 4.550 -0.003 0.000 0.280 339 Y C 2.793 178.359 175.900 -0.555 0.000 1.148 339 Y CA 0.941 58.769 58.100 -0.454 0.000 1.125 339 Y CB -1.452 36.608 38.460 -0.667 0.000 0.975 339 Y HN 0.125 nan 8.280 nan 0.000 0.492 340 A N 0.481 123.076 122.820 -0.375 0.000 1.884 340 A HA -0.237 4.081 4.320 -0.003 0.000 0.219 340 A C 2.365 179.550 177.584 -0.666 0.000 1.197 340 A CA 2.283 53.927 52.037 -0.655 0.000 0.637 340 A CB -1.311 17.438 19.000 -0.419 0.000 0.827 340 A HN 0.462 nan 8.150 nan 0.000 0.450 341 I N -0.312 120.093 120.570 -0.276 0.000 2.091 341 I HA -0.366 3.802 4.170 -0.003 0.000 0.239 341 I C 3.035 179.099 176.117 -0.089 0.000 1.061 341 I CA 1.393 62.613 61.300 -0.133 0.000 1.317 341 I CB -0.566 37.398 38.000 -0.060 0.000 1.031 341 I HN 0.396 nan 8.210 nan 0.000 0.401 342 A N 0.521 123.289 122.820 -0.085 0.000 1.873 342 A HA -0.368 3.950 4.320 -0.003 0.000 0.218 342 A C 1.961 179.599 177.584 0.090 0.000 1.193 342 A CA 2.679 54.724 52.037 0.015 0.000 0.629 342 A CB -1.015 17.970 19.000 -0.024 0.000 0.826 342 A HN 0.561 nan 8.150 nan 0.000 0.447 343 D N -1.611 118.749 120.400 -0.066 0.000 2.081 343 D HA -0.220 4.418 4.640 -0.003 0.000 0.194 343 D C 1.831 178.162 176.300 0.051 0.000 0.986 343 D CA 1.801 55.793 54.000 -0.013 0.000 0.837 343 D CB -0.308 40.390 40.800 -0.170 0.000 0.985 343 D HN 0.524 nan 8.370 nan 0.000 0.448 344 H N -0.551 118.483 119.070 -0.060 0.000 2.357 344 H HA -0.128 4.427 4.556 -0.003 0.000 0.296 344 H C 2.396 177.690 175.328 -0.056 0.000 1.108 344 H CA 2.091 58.094 56.048 -0.076 0.000 1.273 344 H CB -1.542 28.163 29.762 -0.095 0.000 1.367 344 H HN 0.441 nan 8.280 nan 0.000 0.498 345 T N -1.464 113.154 114.554 0.107 0.000 2.962 345 T HA -0.099 4.249 4.350 -0.003 0.000 0.270 345 T C 1.934 176.574 174.700 -0.101 0.000 1.088 345 T CA 1.360 63.505 62.100 0.076 0.000 1.127 345 T CB 0.188 69.169 68.868 0.189 0.000 0.883 345 T HN 0.324 nan 8.240 nan 0.000 0.493 346 K N 1.222 121.430 120.400 -0.320 0.000 2.076 346 K HA 0.179 4.497 4.320 -0.003 0.000 0.204 346 K C 2.707 179.261 176.600 -0.077 0.000 1.051 346 K CA 0.867 56.843 56.287 -0.518 0.000 0.949 346 K CB -0.573 31.682 32.500 -0.407 0.000 0.726 346 K HN 0.355 nan 8.250 nan 0.000 0.443 347 A N 1.731 124.528 122.820 -0.038 0.000 1.892 347 A HA -0.200 4.118 4.320 -0.003 0.000 0.218 347 A C 2.131 179.734 177.584 0.032 0.000 1.188 347 A CA 1.539 53.574 52.037 -0.004 0.000 0.631 347 A CB -0.799 18.181 19.000 -0.033 0.000 0.822 347 A HN 0.348 nan 8.150 nan 0.000 0.447 348 L N -0.864 120.356 121.223 -0.005 0.000 2.083 348 L HA -0.172 4.166 4.340 -0.003 0.000 0.209 348 L C 2.796 179.616 176.870 -0.083 0.000 1.083 348 L CA 1.796 56.621 54.840 -0.024 0.000 0.752 348 L CB -0.633 41.410 42.059 -0.026 0.000 0.899 348 L HN 0.401 nan 8.230 nan 0.000 0.433 349 T N -0.778 113.682 114.554 -0.156 0.000 2.821 349 T HA -0.146 4.202 4.350 -0.003 0.000 0.267 349 T C 1.567 175.956 174.700 -0.518 0.000 1.046 349 T CA 1.312 63.176 62.100 -0.394 0.000 1.139 349 T CB -0.276 68.259 68.868 -0.554 0.000 0.871 349 T HN 0.136 nan 8.240 nan 0.000 0.454 350 F N 0.769 120.511 119.950 -0.347 0.000 2.206 350 F HA 0.128 4.653 4.527 -0.003 0.000 0.298 350 F C 2.388 178.158 175.800 -0.050 0.000 1.090 350 F CA 0.819 58.732 58.000 -0.145 0.000 1.323 350 F CB -0.428 38.520 39.000 -0.087 0.000 1.028 350 F HN 0.074 nan 8.300 nan 0.000 0.492 351 M N -0.553 119.112 119.600 0.108 0.000 2.132 351 M HA -0.176 4.302 4.480 -0.003 0.000 0.263 351 M C 2.084 178.395 176.300 0.018 0.000 1.065 351 M CA 1.635 56.972 55.300 0.063 0.000 1.122 351 M CB -0.520 32.113 32.600 0.054 0.000 1.365 351 M HN 0.133 nan 8.290 nan 0.000 0.411 352 L N -0.460 120.745 121.223 -0.030 0.000 2.109 352 L HA -0.067 4.271 4.340 -0.003 0.000 0.207 352 L C 2.744 179.605 176.870 -0.016 0.000 1.086 352 L CA 0.870 55.682 54.840 -0.047 0.000 0.760 352 L CB -0.769 41.228 42.059 -0.102 0.000 0.910 352 L HN 0.270 nan 8.230 nan 0.000 0.437 353 A N -0.750 122.054 122.820 -0.026 0.000 2.015 353 A HA -0.161 4.158 4.320 -0.003 0.000 0.219 353 A C 1.376 179.036 177.584 0.127 0.000 1.163 353 A CA 1.429 53.507 52.037 0.069 0.000 0.646 353 A CB -0.291 18.791 19.000 0.137 0.000 0.806 353 A HN 0.295 nan 8.150 nan 0.000 0.448 354 D N -0.805 119.658 120.400 0.105 0.000 2.370 354 D HA 0.333 4.971 4.640 -0.003 0.000 0.230 354 D C 1.181 177.507 176.300 0.042 0.000 1.143 354 D CA 0.837 54.895 54.000 0.098 0.000 0.834 354 D CB -0.210 40.653 40.800 0.105 0.000 0.944 354 D HN 0.498 nan 8.370 nan 0.000 0.504 355 G N 0.262 109.109 108.800 0.078 0.000 2.160 355 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.251 355 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.251 355 G C 0.453 175.381 174.900 0.047 0.000 1.008 355 G CA 0.079 45.243 45.100 0.106 0.000 0.724 355 G HN 0.314 nan 8.290 nan 0.000 0.514 356 V N 0.658 120.581 119.914 0.014 0.000 2.479 356 V HA 0.347 4.465 4.120 -0.003 0.000 0.281 356 V C 0.882 176.998 176.094 0.035 0.000 1.031 356 V CA -0.185 62.116 62.300 0.001 0.000 1.038 356 V CB 1.521 33.340 31.823 -0.006 0.000 0.981 356 V HN 0.238 nan 8.190 nan 0.000 0.478 357 V N 8.618 128.570 119.914 0.063 0.000 2.347 357 V HA 0.309 4.428 4.120 -0.003 0.000 0.280 357 V C -2.109 174.018 176.094 0.056 0.000 1.021 357 V CA -1.981 60.377 62.300 0.096 0.000 0.847 357 V CB 1.574 33.518 31.823 0.201 0.000 0.990 357 V HN 0.753 nan 8.190 nan 0.000 0.444 358 P HA 0.175 nan 4.420 nan 0.000 0.264 358 P C 0.018 177.331 177.300 0.021 0.000 1.183 358 P CA 0.523 63.623 63.100 -0.000 0.000 0.763 358 P CB 0.691 32.372 31.700 -0.033 0.000 0.807 359 S N 2.002 117.713 115.700 0.018 0.000 3.725 359 S HA 0.351 4.820 4.470 -0.003 0.000 0.307 359 S C 0.016 174.641 174.600 0.041 0.000 1.149 359 S CA -0.607 57.613 58.200 0.032 0.000 1.207 359 S CB 0.590 63.821 63.200 0.051 0.000 1.611 359 S HN 0.276 nan 8.310 nan 0.000 0.592 360 N N 0.416 119.166 118.700 0.083 0.000 2.170 360 N HA 0.327 5.065 4.740 -0.003 0.000 0.222 360 N C -0.541 175.120 175.510 0.252 0.000 1.218 360 N CA 0.576 53.722 53.050 0.161 0.000 0.889 360 N CB 1.560 40.101 38.487 0.090 0.000 1.083 360 N HN 0.685 nan 8.380 nan 0.000 0.520 361 V N -2.634 117.374 119.914 0.157 0.000 2.888 361 V HA 0.546 4.664 4.120 -0.003 0.000 0.309 361 V C 0.324 176.433 176.094 0.024 0.000 1.114 361 V CA -1.126 61.204 62.300 0.050 0.000 0.940 361 V CB 2.507 34.335 31.823 0.007 0.000 1.021 361 V HN 0.031 nan 8.190 nan 0.000 0.426 362 K N 1.381 121.743 120.400 -0.063 0.000 1.882 362 K HA -0.324 3.995 4.320 -0.003 0.000 0.199 362 K C 1.555 178.126 176.600 -0.048 0.000 1.562 362 K CA 1.268 57.506 56.287 -0.082 0.000 0.515 362 K CB -1.702 30.755 32.500 -0.071 0.000 0.682 362 K HN 1.439 nan 8.250 nan 0.000 0.843 363 A N 0.861 123.645 122.820 -0.060 0.000 1.940 363 A HA -0.120 4.198 4.320 -0.003 0.000 0.219 363 A C 2.277 179.855 177.584 -0.011 0.000 1.176 363 A CA 2.900 54.905 52.037 -0.052 0.000 0.631 363 A CB -1.236 17.724 19.000 -0.067 0.000 0.814 363 A HN 0.753 nan 8.150 nan 0.000 0.446 364 G N -1.525 107.283 108.800 0.013 0.000 2.459 364 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.217 364 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.217 364 G C 1.513 176.439 174.900 0.045 0.000 1.183 364 G CA 1.306 46.424 45.100 0.029 0.000 0.776 364 G HN 0.605 nan 8.290 nan 0.000 0.552 365 Y N 1.147 121.410 120.300 -0.062 0.000 2.132 365 Y HA -0.226 4.323 4.550 -0.003 0.000 0.280 365 Y C 2.551 178.399 175.900 -0.088 0.000 1.193 365 Y CA 1.857 59.921 58.100 -0.059 0.000 1.157 365 Y CB -0.258 38.158 38.460 -0.074 0.000 0.966 365 Y HN 0.163 nan 8.280 nan 0.000 0.511 366 L N -0.765 120.483 121.223 0.042 0.000 1.988 366 L HA -0.191 4.147 4.340 -0.003 0.000 0.207 366 L C 2.863 179.695 176.870 -0.064 0.000 1.071 366 L CA 1.122 55.865 54.840 -0.161 0.000 0.744 366 L CB -1.191 40.629 42.059 -0.398 0.000 0.893 366 L HN 0.304 nan 8.230 nan 0.000 0.433 367 A N 0.242 123.058 122.820 -0.008 0.000 1.881 367 A HA -0.355 3.963 4.320 -0.003 0.000 0.219 367 A C 2.377 179.933 177.584 -0.048 0.000 1.215 367 A CA 2.568 54.607 52.037 0.003 0.000 0.648 367 A CB -0.864 18.131 19.000 -0.008 0.000 0.832 367 A HN 0.389 nan 8.150 nan 0.000 0.455 368 R N -0.952 119.496 120.500 -0.088 0.000 2.097 368 R HA -0.194 4.144 4.340 -0.003 0.000 0.236 368 R C 2.146 178.361 176.300 -0.142 0.000 1.135 368 R CA 1.956 57.977 56.100 -0.131 0.000 0.934 368 R CB -0.580 29.626 30.300 -0.157 0.000 0.846 368 R HN 0.473 nan 8.270 nan 0.000 0.431 369 L N 1.227 122.356 121.223 -0.157 0.000 1.978 369 L HA -0.240 4.098 4.340 -0.003 0.000 0.218 369 L C 2.132 178.960 176.870 -0.069 0.000 1.075 369 L CA 1.872 56.657 54.840 -0.092 0.000 0.767 369 L CB -0.757 41.188 42.059 -0.189 0.000 0.890 369 L HN 0.333 nan 8.230 nan 0.000 0.434 370 L N -1.003 120.194 121.223 -0.044 0.000 2.051 370 L HA -0.306 4.032 4.340 -0.003 0.000 0.214 370 L C 2.534 179.343 176.870 -0.103 0.000 1.076 370 L CA 2.094 56.882 54.840 -0.086 0.000 0.758 370 L CB -0.477 41.577 42.059 -0.009 0.000 0.890 370 L HN 0.406 nan 8.230 nan 0.000 0.433 371 I N -0.907 119.601 120.570 -0.103 0.000 2.252 371 I HA -0.283 3.885 4.170 -0.003 0.000 0.245 371 I C 2.686 178.679 176.117 -0.205 0.000 1.102 371 I CA 1.103 62.326 61.300 -0.128 0.000 1.385 371 I CB -0.331 37.589 38.000 -0.133 0.000 1.064 371 I HN 0.164 nan 8.210 nan 0.000 0.414 372 R N 0.942 121.269 120.500 -0.288 0.000 2.080 372 R HA -0.204 4.134 4.340 -0.003 0.000 0.236 372 R C 2.375 178.574 176.300 -0.168 0.000 1.137 372 R CA 1.612 57.453 56.100 -0.431 0.000 0.943 372 R CB -0.339 29.726 30.300 -0.391 0.000 0.846 372 R HN 0.247 nan 8.270 nan 0.000 0.431 373 K N 0.204 120.529 120.400 -0.125 0.000 2.103 373 K HA -0.125 4.193 4.320 -0.003 0.000 0.207 373 K C 2.073 178.422 176.600 -0.418 0.000 1.048 373 K CA 1.736 57.869 56.287 -0.256 0.000 0.930 373 K CB 0.023 32.285 32.500 -0.396 0.000 0.716 373 K HN 0.036 nan 8.250 nan 0.000 0.444 374 S N 0.952 116.528 115.700 -0.206 0.000 2.348 374 S HA -0.119 4.349 4.470 -0.003 0.000 0.221 374 S C 1.883 176.449 174.600 -0.056 0.000 1.033 374 S CA 1.457 59.587 58.200 -0.116 0.000 1.010 374 S CB -0.244 62.943 63.200 -0.022 0.000 0.891 374 S HN 0.266 nan 8.310 nan 0.000 0.442 375 I N 1.395 121.949 120.570 -0.027 0.000 2.118 375 I HA -0.250 3.918 4.170 -0.003 0.000 0.241 375 I C 2.620 178.800 176.117 0.104 0.000 1.070 375 I CA 1.161 62.495 61.300 0.057 0.000 1.327 375 I CB -0.323 37.749 38.000 0.119 0.000 1.034 375 I HN 0.142 nan 8.210 nan 0.000 0.405 376 R N 0.191 120.765 120.500 0.123 0.000 2.103 376 R HA -0.207 4.131 4.340 -0.003 0.000 0.242 376 R C 2.187 178.614 176.300 0.211 0.000 1.142 376 R CA 1.561 57.763 56.100 0.170 0.000 0.960 376 R CB -1.355 29.061 30.300 0.194 0.000 0.858 376 R HN 0.492 nan 8.270 nan 0.000 0.439 377 H N 0.536 119.628 119.070 0.037 0.000 2.357 377 H HA 0.044 4.598 4.556 -0.003 0.000 0.301 377 H C 2.213 177.526 175.328 -0.024 0.000 1.082 377 H CA 0.836 56.878 56.048 -0.010 0.000 1.342 377 H CB -0.454 29.280 29.762 -0.048 0.000 1.389 377 H HN 0.072 nan 8.280 nan 0.000 0.511 378 L N 0.034 121.327 121.223 0.117 0.000 2.079 378 L HA -0.190 4.148 4.340 -0.003 0.000 0.210 378 L C 2.730 179.621 176.870 0.035 0.000 1.081 378 L CA 1.231 56.098 54.840 0.045 0.000 0.752 378 L CB -0.254 41.825 42.059 0.033 0.000 0.896 378 L HN 0.199 nan 8.230 nan 0.000 0.433 379 R N 0.045 120.581 120.500 0.061 0.000 2.119 379 R HA -0.160 4.178 4.340 -0.003 0.000 0.222 379 R C 2.061 178.381 176.300 0.033 0.000 1.088 379 R CA 1.076 57.203 56.100 0.045 0.000 0.984 379 R CB 0.066 30.403 30.300 0.062 0.000 0.884 379 R HN 0.378 nan 8.270 nan 0.000 0.447 380 E N 0.242 120.470 120.200 0.047 0.000 2.150 380 E HA -0.110 4.239 4.350 -0.003 0.000 0.193 380 E C 1.570 178.154 176.600 -0.027 0.000 0.985 380 E CA 0.623 57.031 56.400 0.013 0.000 0.814 380 E CB 0.117 29.826 29.700 0.014 0.000 0.752 380 E HN 0.278 nan 8.360 nan 0.000 0.466 381 L N -0.302 120.900 121.223 -0.036 0.000 2.599 381 L HA 0.131 4.469 4.340 -0.003 0.000 0.230 381 L C 1.029 177.868 176.870 -0.051 0.000 1.141 381 L CA 0.309 55.110 54.840 -0.065 0.000 0.877 381 L CB 0.103 42.111 42.059 -0.085 0.000 1.009 381 L HN 0.297 nan 8.230 nan 0.000 0.447 382 G N 1.122 109.903 108.800 -0.030 0.000 2.323 382 G HA2 -0.294 3.665 3.960 -0.003 0.000 0.292 382 G HA3 -0.294 3.665 3.960 -0.003 0.000 0.292 382 G C -0.178 174.705 174.900 -0.027 0.000 1.040 382 G CA 0.156 45.241 45.100 -0.025 0.000 0.942 382 G HN 0.262 nan 8.290 nan 0.000 0.506 383 L N -1.339 119.870 121.223 -0.023 0.000 2.342 383 L HA 0.622 4.960 4.340 -0.003 0.000 0.271 383 L C 0.971 177.833 176.870 -0.012 0.000 1.008 383 L CA -0.735 54.090 54.840 -0.024 0.000 0.818 383 L CB 1.882 43.920 42.059 -0.035 0.000 1.296 383 L HN 0.234 nan 8.230 nan 0.000 0.427 384 E N 1.062 121.254 120.200 -0.013 0.000 2.676 384 E HA 0.082 4.430 4.350 -0.003 0.000 0.222 384 E C -0.367 176.229 176.600 -0.007 0.000 0.968 384 E CA -0.220 56.177 56.400 -0.006 0.000 1.090 384 E CB 1.654 31.350 29.700 -0.007 0.000 1.066 384 E HN 0.313 nan 8.360 nan 0.000 0.496 385 V N 3.584 123.491 119.914 -0.012 0.000 2.617 385 V HA 0.063 4.181 4.120 -0.003 0.000 0.304 385 V C -2.214 173.875 176.094 -0.008 0.000 1.040 385 V CA -1.359 60.933 62.300 -0.013 0.000 1.149 385 V CB 0.573 32.383 31.823 -0.022 0.000 0.914 385 V HN 0.042 nan 8.190 nan 0.000 0.487 386 P HA 0.058 nan 4.420 nan 0.000 0.271 386 P C 0.636 177.932 177.300 -0.006 0.000 1.218 386 P CA -0.298 62.800 63.100 -0.003 0.000 0.780 386 P CB 1.132 32.830 31.700 -0.004 0.000 0.901 387 L N 3.419 124.641 121.223 -0.003 0.000 2.012 387 L HA -0.247 4.091 4.340 -0.003 0.000 0.210 387 L C 2.603 179.467 176.870 -0.010 0.000 1.073 387 L CA 2.716 57.553 54.840 -0.005 0.000 0.748 387 L CB -1.456 40.599 42.059 -0.006 0.000 0.891 387 L HN 0.502 nan 8.230 nan 0.000 0.431 388 S N -1.547 114.143 115.700 -0.017 0.000 2.407 388 S HA -0.293 4.176 4.470 -0.003 0.000 0.235 388 S C 1.811 176.401 174.600 -0.017 0.000 1.036 388 S CA 1.602 59.788 58.200 -0.023 0.000 1.013 388 S CB -0.747 62.435 63.200 -0.030 0.000 0.820 388 S HN 0.617 nan 8.310 nan 0.000 0.476 389 E N 0.698 120.888 120.200 -0.016 0.000 2.047 389 E HA -0.053 4.296 4.350 -0.003 0.000 0.191 389 E C 2.068 178.652 176.600 -0.027 0.000 0.987 389 E CA 1.196 57.585 56.400 -0.018 0.000 0.799 389 E CB -0.204 29.486 29.700 -0.018 0.000 0.752 389 E HN 0.425 nan 8.360 nan 0.000 0.449 390 I N 0.923 121.474 120.570 -0.032 0.000 2.151 390 I HA -0.260 3.908 4.170 -0.003 0.000 0.243 390 I C 2.463 178.552 176.117 -0.047 0.000 1.080 390 I CA 1.172 62.437 61.300 -0.058 0.000 1.339 390 I CB -1.168 36.808 38.000 -0.039 0.000 1.039 390 I HN 0.040 nan 8.210 nan 0.000 0.409 391 V N 1.404 121.334 119.914 0.026 0.000 2.392 391 V HA -0.299 3.819 4.120 -0.003 0.000 0.249 391 V C 2.832 178.963 176.094 0.061 0.000 1.059 391 V CA 1.843 64.197 62.300 0.089 0.000 1.051 391 V CB -1.096 30.744 31.823 0.028 0.000 0.658 391 V HN 0.498 nan 8.190 nan 0.000 0.455 392 A N -0.365 122.465 122.820 0.016 0.000 1.908 392 A HA -0.206 4.112 4.320 -0.003 0.000 0.218 392 A C 2.203 179.819 177.584 0.053 0.000 1.181 392 A CA 1.924 53.974 52.037 0.021 0.000 0.627 392 A CB -0.572 18.429 19.000 0.001 0.000 0.818 392 A HN 0.509 nan 8.150 nan 0.000 0.445 393 L N -1.109 120.126 121.223 0.020 0.000 2.051 393 L HA -0.285 4.053 4.340 -0.003 0.000 0.214 393 L C 2.678 179.684 176.870 0.226 0.000 1.076 393 L CA 1.694 56.570 54.840 0.061 0.000 0.758 393 L CB -0.718 41.286 42.059 -0.091 0.000 0.890 393 L HN 0.486 nan 8.230 nan 0.000 0.433 394 H N -0.563 118.668 119.070 0.269 0.000 2.389 394 H HA -0.052 4.503 4.556 -0.003 0.000 0.299 394 H C 2.358 177.829 175.328 0.238 0.000 1.081 394 H CA 1.511 57.763 56.048 0.340 0.000 1.345 394 H CB -0.031 29.821 29.762 0.150 0.000 1.393 394 H HN 0.381 nan 8.280 nan 0.000 0.520 395 I N 0.494 121.205 120.570 0.235 0.000 2.286 395 I HA -0.199 3.969 4.170 -0.003 0.000 0.245 395 I C 2.620 178.869 176.117 0.220 0.000 1.104 395 I CA 0.834 62.256 61.300 0.203 0.000 1.397 395 I CB -0.239 37.807 38.000 0.076 0.000 1.072 395 I HN 0.088 nan 8.210 nan 0.000 0.417 396 K N 1.327 121.808 120.400 0.135 0.000 2.020 396 K HA -0.291 4.027 4.320 -0.003 0.000 0.212 396 K C 2.109 178.860 176.600 0.251 0.000 1.050 396 K CA 2.220 58.562 56.287 0.091 0.000 0.929 396 K CB -0.037 32.507 32.500 0.072 0.000 0.714 396 K HN 0.140 nan 8.250 nan 0.000 0.443 397 E N 0.478 120.792 120.200 0.190 0.000 2.072 397 E HA -0.133 4.215 4.350 -0.003 0.000 0.191 397 E C 1.702 178.395 176.600 0.155 0.000 0.985 397 E CA 1.393 57.813 56.400 0.034 0.000 0.801 397 E CB -0.001 29.452 29.700 -0.411 0.000 0.750 397 E HN 0.390 nan 8.360 nan 0.000 0.452 398 L N 0.534 121.961 121.223 0.341 0.000 2.554 398 L HA 0.075 4.413 4.340 -0.003 0.000 0.225 398 L C 2.133 179.220 176.870 0.362 0.000 1.104 398 L CA 0.448 55.547 54.840 0.433 0.000 0.866 398 L CB -0.492 41.978 42.059 0.685 0.000 1.047 398 L HN 0.357 nan 8.230 nan 0.000 0.468 399 H N 1.518 120.729 119.070 0.235 0.000 2.521 399 H HA -0.098 4.456 4.556 -0.003 0.000 0.286 399 H C 1.573 176.933 175.328 0.053 0.000 1.034 399 H CA 1.084 57.219 56.048 0.145 0.000 1.278 399 H CB -0.109 29.748 29.762 0.158 0.000 1.386 399 H HN 0.474 nan 8.280 nan 0.000 0.567 400 K N 0.810 120.894 120.400 -0.526 0.000 2.001 400 K HA -0.116 4.202 4.320 -0.003 0.000 0.208 400 K C 2.312 178.763 176.600 -0.249 0.000 1.048 400 K CA 1.794 57.814 56.287 -0.445 0.000 0.932 400 K CB -0.627 31.700 32.500 -0.288 0.000 0.715 400 K HN 0.243 nan 8.250 nan 0.000 0.437 401 T N -0.555 113.879 114.554 -0.200 0.000 2.978 401 T HA 0.002 4.351 4.350 -0.003 0.000 0.262 401 T C 0.064 174.431 174.700 -0.556 0.000 1.063 401 T CA 0.107 62.004 62.100 -0.339 0.000 1.140 401 T CB -0.133 68.525 68.868 -0.350 0.000 0.886 401 T HN 0.153 nan 8.240 nan 0.000 0.470 402 F N 2.630 122.421 119.950 -0.264 0.000 2.307 402 F HA 0.439 4.964 4.527 -0.003 0.000 0.369 402 F C -1.594 173.957 175.800 -0.415 0.000 1.076 402 F CA -2.636 55.062 58.000 -0.503 0.000 1.149 402 F CB 1.828 40.097 39.000 -1.218 0.000 1.410 402 F HN 0.026 nan 8.300 nan 0.000 0.481 403 P HA -0.234 nan 4.420 nan 0.000 0.219 403 P C 1.172 178.497 177.300 0.043 0.000 1.146 403 P CA 1.509 64.599 63.100 -0.017 0.000 0.808 403 P CB 0.215 31.904 31.700 -0.017 0.000 0.779 404 E N -0.735 119.468 120.200 0.006 0.000 2.274 404 E HA -0.136 4.213 4.350 -0.003 0.000 0.194 404 E C 1.638 178.382 176.600 0.241 0.000 0.996 404 E CA 0.762 57.223 56.400 0.103 0.000 0.840 404 E CB -0.998 28.771 29.700 0.114 0.000 0.772 404 E HN 0.160 nan 8.360 nan 0.000 0.491 405 F N 2.687 122.671 119.950 0.056 0.000 2.216 405 F HA -0.075 4.450 4.527 -0.003 0.000 0.300 405 F C 2.416 178.245 175.800 0.049 0.000 1.085 405 F CA 1.061 59.069 58.000 0.015 0.000 1.326 405 F CB -0.744 38.256 39.000 0.001 0.000 1.027 405 F HN 0.153 nan 8.300 nan 0.000 0.497 406 K N 1.011 121.580 120.400 0.283 0.000 2.167 406 K HA -0.119 4.199 4.320 -0.003 0.000 0.203 406 K C 1.514 178.189 176.600 0.125 0.000 1.052 406 K CA 1.289 57.679 56.287 0.171 0.000 0.956 406 K CB -0.180 32.450 32.500 0.216 0.000 0.735 406 K HN 0.238 nan 8.250 nan 0.000 0.451 407 E N -0.031 120.251 120.200 0.137 0.000 2.158 407 E HA 0.007 4.355 4.350 -0.003 0.000 0.191 407 E C 1.516 178.180 176.600 0.106 0.000 0.982 407 E CA 0.703 57.169 56.400 0.110 0.000 0.823 407 E CB 0.201 29.967 29.700 0.110 0.000 0.766 407 E HN 0.255 nan 8.360 nan 0.000 0.468 408 M N 0.089 119.759 119.600 0.118 0.000 2.371 408 M HA 0.073 4.551 4.480 -0.003 0.000 0.246 408 M C 1.484 177.812 176.300 0.046 0.000 1.103 408 M CA 0.376 55.732 55.300 0.093 0.000 1.010 408 M CB 0.311 32.977 32.600 0.110 0.000 1.457 408 M HN 0.076 nan 8.290 nan 0.000 0.486 409 E N 1.383 121.614 120.200 0.051 0.000 2.114 409 E HA -0.244 4.104 4.350 -0.003 0.000 0.199 409 E C 1.019 177.613 176.600 -0.011 0.000 1.008 409 E CA 1.807 58.217 56.400 0.016 0.000 0.810 409 E CB 0.349 30.066 29.700 0.027 0.000 0.739 409 E HN 0.372 nan 8.360 nan 0.000 0.456 410 D N -0.042 120.362 120.400 0.006 0.000 2.103 410 D HA -0.101 4.537 4.640 -0.003 0.000 0.199 410 D C 2.092 178.374 176.300 -0.031 0.000 0.978 410 D CA 0.899 54.899 54.000 0.000 0.000 0.829 410 D CB -0.186 40.633 40.800 0.031 0.000 0.981 410 D HN 0.317 nan 8.370 nan 0.000 0.464 411 I N 0.894 121.445 120.570 -0.032 0.000 2.179 411 I HA -0.239 3.929 4.170 -0.003 0.000 0.242 411 I C 2.431 178.401 176.117 -0.244 0.000 1.088 411 I CA 0.802 62.027 61.300 -0.126 0.000 1.357 411 I CB -0.282 37.653 38.000 -0.108 0.000 1.051 411 I HN -0.060 nan 8.210 nan 0.000 0.409 412 I N 0.686 121.163 120.570 -0.155 0.000 2.099 412 I HA -0.330 3.838 4.170 -0.003 0.000 0.239 412 I C 2.557 178.568 176.117 -0.176 0.000 1.066 412 I CA 1.722 62.921 61.300 -0.169 0.000 1.324 412 I CB -0.409 37.514 38.000 -0.129 0.000 1.037 412 I HN 0.175 nan 8.210 nan 0.000 0.401 413 L N 0.065 121.213 121.223 -0.124 0.000 2.017 413 L HA -0.240 4.099 4.340 -0.003 0.000 0.208 413 L C 2.681 179.478 176.870 -0.120 0.000 1.073 413 L CA 1.470 56.251 54.840 -0.099 0.000 0.745 413 L CB -0.662 41.362 42.059 -0.059 0.000 0.894 413 L HN 0.303 nan 8.230 nan 0.000 0.432 414 E N 0.052 120.170 120.200 -0.137 0.000 2.097 414 E HA -0.274 4.074 4.350 -0.003 0.000 0.196 414 E C 2.330 178.770 176.600 -0.266 0.000 1.000 414 E CA 1.569 57.882 56.400 -0.145 0.000 0.804 414 E CB -0.049 29.593 29.700 -0.097 0.000 0.740 414 E HN 0.448 nan 8.360 nan 0.000 0.454 415 M N 0.205 119.523 119.600 -0.471 0.000 2.159 415 M HA -0.193 4.286 4.480 -0.003 0.000 0.263 415 M C 2.273 178.417 176.300 -0.260 0.000 1.063 415 M CA 0.962 55.937 55.300 -0.543 0.000 1.110 415 M CB -0.226 32.023 32.600 -0.586 0.000 1.374 415 M HN 0.187 nan 8.290 nan 0.000 0.411 416 I N 0.445 120.902 120.570 -0.187 0.000 2.142 416 I HA -0.246 3.922 4.170 -0.003 0.000 0.240 416 I C 2.333 178.404 176.117 -0.077 0.000 1.078 416 I CA 1.510 62.743 61.300 -0.112 0.000 1.343 416 I CB -1.385 36.564 38.000 -0.085 0.000 1.046 416 I HN 0.350 nan 8.210 nan 0.000 0.405 417 E N 1.001 121.158 120.200 -0.072 0.000 2.065 417 E HA -0.242 4.107 4.350 -0.003 0.000 0.201 417 E C 2.341 178.928 176.600 -0.020 0.000 1.016 417 E CA 1.356 57.734 56.400 -0.037 0.000 0.818 417 E CB -0.447 29.235 29.700 -0.031 0.000 0.749 417 E HN 0.509 nan 8.360 nan 0.000 0.453 418 L N 0.789 121.993 121.223 -0.031 0.000 2.156 418 L HA -0.107 4.232 4.340 -0.003 0.000 0.208 418 L C 2.426 179.301 176.870 0.007 0.000 1.095 418 L CA 0.791 55.632 54.840 0.002 0.000 0.770 418 L CB -0.347 41.728 42.059 0.027 0.000 0.914 418 L HN 0.007 nan 8.230 nan 0.000 0.439 419 E N 0.190 120.379 120.200 -0.018 0.000 2.152 419 E HA -0.195 4.154 4.350 -0.003 0.000 0.192 419 E C 1.946 178.563 176.600 0.028 0.000 0.983 419 E CA 0.804 57.199 56.400 -0.009 0.000 0.818 419 E CB 0.178 29.846 29.700 -0.052 0.000 0.758 419 E HN 0.495 nan 8.360 nan 0.000 0.467 420 E N 0.803 121.018 120.200 0.024 0.000 2.112 420 E HA -0.104 4.245 4.350 -0.003 0.000 0.190 420 E C 1.817 178.466 176.600 0.081 0.000 0.979 420 E CA 0.604 57.041 56.400 0.063 0.000 0.814 420 E CB 0.259 29.977 29.700 0.030 0.000 0.762 420 E HN 0.075 nan 8.360 nan 0.000 0.460 421 K N 0.781 121.210 120.400 0.049 0.000 1.985 421 K HA -0.204 4.114 4.320 -0.003 0.000 0.210 421 K C 2.263 178.897 176.600 0.057 0.000 1.047 421 K CA 1.667 57.979 56.287 0.042 0.000 0.932 421 K CB -0.215 32.301 32.500 0.027 0.000 0.716 421 K HN -0.029 nan 8.250 nan 0.000 0.439 422 K N 0.568 121.006 120.400 0.064 0.000 2.160 422 K HA -0.247 4.072 4.320 -0.003 0.000 0.206 422 K C 2.020 178.696 176.600 0.126 0.000 1.047 422 K CA 1.553 57.883 56.287 0.073 0.000 0.930 422 K CB -0.294 32.243 32.500 0.062 0.000 0.720 422 K HN 0.257 nan 8.250 nan 0.000 0.450 423 Y N 0.567 120.860 120.300 -0.011 0.000 2.163 423 Y HA -0.239 4.309 4.550 -0.003 0.000 0.288 423 Y C 2.359 178.255 175.900 -0.006 0.000 1.136 423 Y CA 1.171 59.266 58.100 -0.009 0.000 1.147 423 Y CB -0.186 38.273 38.460 -0.002 0.000 0.987 423 Y HN 0.268 nan 8.280 nan 0.000 0.509 424 A N 0.277 123.092 122.820 -0.009 0.000 1.915 424 A HA -0.373 3.946 4.320 -0.003 0.000 0.220 424 A C 2.097 179.613 177.584 -0.114 0.000 1.198 424 A CA 2.458 54.445 52.037 -0.085 0.000 0.647 424 A CB -0.982 18.005 19.000 -0.022 0.000 0.825 424 A HN 0.680 nan 8.150 nan 0.000 0.456 425 E N -1.445 118.717 120.200 -0.063 0.000 2.076 425 E HA -0.110 4.238 4.350 -0.003 0.000 0.190 425 E C 2.011 178.565 176.600 -0.077 0.000 0.979 425 E CA 1.342 57.707 56.400 -0.057 0.000 0.807 425 E CB -0.085 29.602 29.700 -0.022 0.000 0.761 425 E HN 0.590 nan 8.360 nan 0.000 0.454 426 T N 1.912 116.426 114.554 -0.066 0.000 2.833 426 T HA -0.176 4.173 4.350 -0.003 0.000 0.269 426 T C 1.805 176.427 174.700 -0.130 0.000 1.054 426 T CA 1.082 63.155 62.100 -0.045 0.000 1.135 426 T CB -0.248 68.656 68.868 0.060 0.000 0.869 426 T HN 0.125 nan 8.240 nan 0.000 0.466 427 L N 1.140 122.178 121.223 -0.309 0.000 1.970 427 L HA -0.064 4.275 4.340 -0.003 0.000 0.212 427 L C 2.569 179.324 176.870 -0.191 0.000 1.071 427 L CA 1.807 56.440 54.840 -0.346 0.000 0.751 427 L CB -0.437 41.315 42.059 -0.512 0.000 0.889 427 L HN 0.020 nan 8.230 nan 0.000 0.432 428 R N -0.491 119.915 120.500 -0.157 0.000 2.115 428 R HA -0.243 4.095 4.340 -0.003 0.000 0.239 428 R C 2.455 178.698 176.300 -0.095 0.000 1.133 428 R CA 2.419 58.453 56.100 -0.110 0.000 0.935 428 R CB -0.503 29.746 30.300 -0.085 0.000 0.853 428 R HN 0.546 nan 8.270 nan 0.000 0.433 429 R N -0.398 120.056 120.500 -0.076 0.000 2.189 429 R HA -0.021 4.318 4.340 -0.003 0.000 0.223 429 R C 1.957 178.210 176.300 -0.078 0.000 1.092 429 R CA 1.590 57.654 56.100 -0.060 0.000 0.989 429 R CB -0.283 30.000 30.300 -0.028 0.000 0.876 429 R HN 0.258 nan 8.270 nan 0.000 0.457 430 G N 0.400 109.145 108.800 -0.091 0.000 2.411 430 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.213 430 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.213 430 G C 1.316 176.074 174.900 -0.236 0.000 1.166 430 G CA 0.433 45.454 45.100 -0.132 0.000 0.802 430 G HN 0.345 nan 8.290 nan 0.000 0.533 431 S N 1.645 117.238 115.700 -0.178 0.000 2.359 431 S HA -0.171 4.297 4.470 -0.003 0.000 0.223 431 S C 1.974 176.460 174.600 -0.190 0.000 1.039 431 S CA 1.739 59.835 58.200 -0.174 0.000 1.042 431 S CB -0.400 62.722 63.200 -0.130 0.000 0.915 431 S HN 0.394 nan 8.310 nan 0.000 0.439 432 D N 1.601 121.906 120.400 -0.158 0.000 2.092 432 D HA -0.051 4.587 4.640 -0.003 0.000 0.193 432 D C 1.931 178.119 176.300 -0.186 0.000 0.994 432 D CA 0.816 54.731 54.000 -0.142 0.000 0.828 432 D CB -0.600 40.139 40.800 -0.101 0.000 0.963 432 D HN 0.271 nan 8.370 nan 0.000 0.450 433 L N 0.672 121.752 121.223 -0.237 0.000 2.083 433 L HA -0.145 4.193 4.340 -0.003 0.000 0.209 433 L C 2.539 179.138 176.870 -0.453 0.000 1.083 433 L CA 0.872 55.529 54.840 -0.304 0.000 0.752 433 L CB -0.384 41.467 42.059 -0.347 0.000 0.899 433 L HN 0.073 nan 8.230 nan 0.000 0.433 434 V N -2.025 117.537 119.914 -0.588 0.000 2.302 434 V HA -0.216 3.902 4.120 -0.003 0.000 0.243 434 V C 2.595 178.440 176.094 -0.415 0.000 1.036 434 V CA 1.552 63.432 62.300 -0.701 0.000 1.020 434 V CB -0.888 30.410 31.823 -0.875 0.000 0.657 434 V HN 0.424 nan 8.190 nan 0.000 0.453 435 R N 0.471 120.800 120.500 -0.285 0.000 2.113 435 R HA -0.234 4.104 4.340 -0.003 0.000 0.244 435 R C 2.588 178.811 176.300 -0.129 0.000 1.142 435 R CA 2.383 58.380 56.100 -0.171 0.000 0.953 435 R CB -0.449 29.772 30.300 -0.132 0.000 0.860 435 R HN 0.527 nan 8.270 nan 0.000 0.438 436 R N 0.218 120.638 120.500 -0.134 0.000 2.083 436 R HA -0.176 4.162 4.340 -0.003 0.000 0.237 436 R C 2.170 178.431 176.300 -0.065 0.000 1.137 436 R CA 2.104 58.151 56.100 -0.088 0.000 0.951 436 R CB -0.242 30.007 30.300 -0.084 0.000 0.851 436 R HN 0.617 nan 8.270 nan 0.000 0.434 437 E N 0.042 120.189 120.200 -0.087 0.000 2.489 437 E HA -0.022 4.326 4.350 -0.003 0.000 0.193 437 E C 1.509 178.130 176.600 0.035 0.000 1.057 437 E CA 0.289 56.682 56.400 -0.011 0.000 0.866 437 E CB 0.103 29.823 29.700 0.033 0.000 0.916 437 E HN 0.359 nan 8.360 nan 0.000 0.500 438 I N 1.498 122.056 120.570 -0.020 0.000 2.296 438 I HA -0.066 4.103 4.170 -0.003 0.000 0.242 438 I C 2.616 178.742 176.117 0.016 0.000 1.087 438 I CA 0.821 62.138 61.300 0.029 0.000 1.393 438 I CB -0.223 37.774 38.000 -0.004 0.000 1.093 438 I HN 0.189 nan 8.210 nan 0.000 0.421 439 A N 0.848 123.661 122.820 -0.012 0.000 2.032 439 A HA -0.292 4.027 4.320 -0.003 0.000 0.221 439 A C 2.356 179.942 177.584 0.004 0.000 1.165 439 A CA 1.869 53.901 52.037 -0.008 0.000 0.645 439 A CB -0.644 18.344 19.000 -0.021 0.000 0.807 439 A HN 0.355 nan 8.150 nan 0.000 0.453 440 K N -0.413 119.993 120.400 0.010 0.000 2.209 440 K HA -0.063 4.255 4.320 -0.003 0.000 0.204 440 K C 1.565 178.183 176.600 0.029 0.000 1.048 440 K CA 1.405 57.704 56.287 0.020 0.000 0.940 440 K CB -0.195 32.323 32.500 0.030 0.000 0.729 440 K HN 0.563 nan 8.250 nan 0.000 0.451 441 L N -0.057 121.188 121.223 0.037 0.000 2.357 441 L HA 0.035 4.373 4.340 -0.003 0.000 0.211 441 L C 2.439 179.327 176.870 0.029 0.000 1.075 441 L CA 0.221 55.085 54.840 0.041 0.000 0.830 441 L CB -0.225 41.872 42.059 0.065 0.000 0.996 441 L HN 0.073 nan 8.230 nan 0.000 0.467 442 K N 1.754 122.168 120.400 0.023 0.000 2.044 442 K HA -0.237 4.081 4.320 -0.003 0.000 0.210 442 K C 2.154 178.761 176.600 0.012 0.000 1.049 442 K CA 2.008 58.304 56.287 0.016 0.000 0.927 442 K CB -0.003 32.503 32.500 0.010 0.000 0.713 442 K HN 0.273 nan 8.250 nan 0.000 0.443 443 K N 0.089 120.496 120.400 0.010 0.000 2.217 443 K HA -0.139 4.180 4.320 -0.003 0.000 0.202 443 K C 1.824 178.430 176.600 0.010 0.000 1.051 443 K CA 1.349 57.641 56.287 0.008 0.000 0.952 443 K CB -0.038 32.465 32.500 0.006 0.000 0.736 443 K HN -0.061 nan 8.250 nan 0.000 0.453 444 K N 1.186 121.594 120.400 0.014 0.000 2.574 444 K HA -0.015 4.303 4.320 -0.003 0.000 0.193 444 K C 0.219 176.827 176.600 0.013 0.000 1.035 444 K CA 0.828 57.124 56.287 0.015 0.000 0.982 444 K CB -0.386 32.126 32.500 0.020 0.000 0.795 444 K HN 0.523 nan 8.250 nan 0.000 0.491 445 G N 0.889 109.697 108.800 0.012 0.000 2.470 445 G HA2 -0.223 3.736 3.960 -0.003 0.000 0.286 445 G HA3 -0.223 3.736 3.960 -0.003 0.000 0.286 445 G C -0.398 174.509 174.900 0.012 0.000 1.115 445 G CA 0.102 45.209 45.100 0.010 0.000 1.122 445 G HN 0.249 nan 8.290 nan 0.000 0.522 446 I N -0.208 120.371 120.570 0.014 0.000 2.500 446 I HA 0.335 4.503 4.170 -0.003 0.000 0.286 446 I C 0.763 176.890 176.117 0.016 0.000 1.063 446 I CA -0.867 60.442 61.300 0.016 0.000 1.062 446 I CB 1.755 39.768 38.000 0.021 0.000 1.223 446 I HN 0.085 nan 8.210 nan 0.000 0.435 447 K N 4.629 125.037 120.400 0.013 0.000 2.373 447 K HA 0.107 4.425 4.320 -0.003 0.000 0.202 447 K C 0.241 176.848 176.600 0.011 0.000 1.025 447 K CA 0.239 56.533 56.287 0.011 0.000 1.115 447 K CB 0.757 33.261 32.500 0.008 0.000 0.858 447 K HN 0.572 nan 8.250 nan 0.000 0.525 448 E N -0.198 120.011 120.200 0.014 0.000 3.155 448 E HA 0.141 4.489 4.350 -0.003 0.000 0.208 448 E C 0.024 176.634 176.600 0.016 0.000 1.060 448 E CA -0.311 56.096 56.400 0.011 0.000 1.522 448 E CB 0.512 30.216 29.700 0.007 0.000 1.433 448 E HN -0.053 nan 8.360 nan 0.000 0.709 449 I N 2.742 123.322 120.570 0.018 0.000 7.187 449 I HA -0.090 4.078 4.170 -0.003 0.000 0.126 449 I C -2.538 173.571 176.117 -0.014 0.000 1.836 449 I CA -0.513 60.795 61.300 0.014 0.000 2.037 449 I CB -1.514 36.516 38.000 0.050 0.000 3.610 449 I HN 0.164 nan 8.210 nan 0.000 0.169 450 P HA 0.249 nan 4.420 nan 0.000 0.271 450 P C 1.234 178.510 177.300 -0.040 0.000 1.244 450 P CA -0.273 62.808 63.100 -0.031 0.000 0.793 450 P CB 1.118 32.797 31.700 -0.035 0.000 0.984 451 V N 0.253 120.161 119.914 -0.011 0.000 2.261 451 V HA -0.202 3.917 4.120 -0.003 0.000 0.246 451 V C 2.573 178.676 176.094 0.016 0.000 1.047 451 V CA 1.791 64.105 62.300 0.023 0.000 1.015 451 V CB -1.175 30.681 31.823 0.055 0.000 0.642 451 V HN 0.548 nan 8.190 nan 0.000 0.446 452 E N 0.491 120.683 120.200 -0.014 0.000 2.086 452 E HA -0.321 4.027 4.350 -0.003 0.000 0.205 452 E C 2.231 178.768 176.600 -0.105 0.000 1.027 452 E CA 1.953 58.329 56.400 -0.040 0.000 0.830 452 E CB -0.314 29.360 29.700 -0.044 0.000 0.751 452 E HN 0.474 nan 8.360 nan 0.000 0.456 453 K N 0.407 120.694 120.400 -0.190 0.000 2.147 453 K HA -0.030 4.288 4.320 -0.003 0.000 0.205 453 K C 2.215 178.435 176.600 -0.635 0.000 1.049 453 K CA 0.444 56.465 56.287 -0.444 0.000 0.936 453 K CB -0.272 31.956 32.500 -0.454 0.000 0.722 453 K HN 0.085 nan 8.250 nan 0.000 0.446 454 L N -0.037 121.024 121.223 -0.271 0.000 2.141 454 L HA -0.156 4.183 4.340 -0.003 0.000 0.209 454 L C 1.742 178.703 176.870 0.151 0.000 1.094 454 L CA 0.838 55.635 54.840 -0.070 0.000 0.763 454 L CB -0.119 41.917 42.059 -0.037 0.000 0.908 454 L HN 0.029 nan 8.230 nan 0.000 0.437 455 V N -1.926 118.076 119.914 0.147 0.000 2.667 455 V HA -0.184 3.934 4.120 -0.003 0.000 0.252 455 V C 2.399 178.582 176.094 0.148 0.000 1.065 455 V CA 1.810 64.226 62.300 0.192 0.000 1.083 455 V CB -0.951 30.922 31.823 0.084 0.000 0.692 455 V HN 0.424 nan 8.190 nan 0.000 0.468 456 T N 0.570 115.134 114.554 0.016 0.000 2.708 456 T HA -0.124 4.224 4.350 -0.003 0.000 0.266 456 T C 1.717 176.559 174.700 0.237 0.000 1.037 456 T CA 1.694 63.818 62.100 0.040 0.000 1.146 456 T CB -0.494 68.318 68.868 -0.093 0.000 0.865 456 T HN 0.455 nan 8.240 nan 0.000 0.435 457 F N -0.358 119.706 119.950 0.192 0.000 2.269 457 F HA -0.089 4.437 4.527 -0.002 0.000 0.301 457 F C 2.304 178.245 175.800 0.235 0.000 1.082 457 F CA 0.577 58.716 58.000 0.232 0.000 1.360 457 F CB -0.258 38.843 39.000 0.169 0.000 1.041 457 F HN 0.166 nan 8.300 nan 0.000 0.512 458 Y N 1.152 121.649 120.300 0.328 0.000 2.201 458 Y HA -0.110 4.438 4.550 -0.003 0.000 0.292 458 Y C 2.220 178.219 175.900 0.165 0.000 1.119 458 Y CA 1.342 59.582 58.100 0.233 0.000 1.127 458 Y CB -0.476 38.110 38.460 0.209 0.000 1.019 458 Y HN -0.054 nan 8.280 nan 0.000 0.514 459 E N -0.369 119.966 120.200 0.226 0.000 2.097 459 E HA -0.226 4.122 4.350 -0.003 0.000 0.196 459 E C 2.104 178.693 176.600 -0.018 0.000 1.000 459 E CA 2.167 58.649 56.400 0.136 0.000 0.804 459 E CB -0.163 29.625 29.700 0.146 0.000 0.740 459 E HN 0.558 nan 8.360 nan 0.000 0.454 460 S N -1.222 114.457 115.700 -0.035 0.000 2.497 460 S HA 0.065 4.533 4.470 -0.003 0.000 0.218 460 S C 1.494 175.896 174.600 -0.332 0.000 1.023 460 S CA -0.089 58.002 58.200 -0.181 0.000 0.913 460 S CB 0.189 63.258 63.200 -0.217 0.000 0.800 460 S HN 0.240 nan 8.310 nan 0.000 0.505 461 H N 0.806 119.878 119.070 0.004 0.000 2.855 461 H HA 0.352 4.906 4.556 -0.003 0.000 0.259 461 H C 1.585 176.874 175.328 -0.065 0.000 0.972 461 H CA 0.617 56.651 56.048 -0.023 0.000 1.213 461 H CB 0.668 30.422 29.762 -0.013 0.000 1.451 461 H HN 0.568 nan 8.280 nan 0.000 0.484 462 G N 1.398 110.151 108.800 -0.079 0.000 2.142 462 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.225 462 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.225 462 G C -0.087 174.869 174.900 0.093 0.000 1.015 462 G CA -0.057 44.914 45.100 -0.215 0.000 0.716 462 G HN 0.201 nan 8.290 nan 0.000 0.508 463 L N 2.143 123.475 121.223 0.181 0.000 2.280 463 L HA 0.458 4.796 4.340 -0.003 0.000 0.287 463 L C 1.403 178.544 176.870 0.452 0.000 1.023 463 L CA -0.283 54.734 54.840 0.295 0.000 0.819 463 L CB 1.404 43.559 42.059 0.160 0.000 1.212 463 L HN 0.427 nan 8.230 nan 0.000 0.420 464 T N 0.265 115.096 114.554 0.462 0.000 2.855 464 T HA 0.163 4.511 4.350 -0.003 0.000 0.314 464 T C -1.678 173.129 174.700 0.180 0.000 1.077 464 T CA -1.102 61.217 62.100 0.364 0.000 1.095 464 T CB 1.027 70.133 68.868 0.396 0.000 0.987 464 T HN 0.439 nan 8.240 nan 0.000 0.546 465 P HA 0.089 nan 4.420 nan 0.000 0.251 465 P C 0.960 178.235 177.300 -0.042 0.000 1.223 465 P CA 0.326 63.355 63.100 -0.118 0.000 0.796 465 P CB -0.085 31.311 31.700 -0.507 0.000 1.068 466 E N 0.418 120.644 120.200 0.042 0.000 2.265 466 E HA -0.124 4.224 4.350 -0.003 0.000 0.196 466 E C 1.646 178.281 176.600 0.057 0.000 0.996 466 E CA 0.993 57.433 56.400 0.067 0.000 0.832 466 E CB -1.006 28.773 29.700 0.132 0.000 0.756 466 E HN 0.230 nan 8.360 nan 0.000 0.491 467 I N 0.532 121.144 120.570 0.070 0.000 2.494 467 I HA -0.115 4.053 4.170 -0.003 0.000 0.250 467 I C 2.079 178.204 176.117 0.012 0.000 1.112 467 I CA 0.291 61.617 61.300 0.043 0.000 1.438 467 I CB 0.059 38.094 38.000 0.058 0.000 1.111 467 I HN 0.012 nan 8.210 nan 0.000 0.431 468 V N 2.052 121.982 119.914 0.027 0.000 2.626 468 V HA -0.234 3.884 4.120 -0.003 0.000 0.252 468 V C 2.448 178.549 176.094 0.013 0.000 1.067 468 V CA 2.013 64.326 62.300 0.022 0.000 1.081 468 V CB -1.032 30.858 31.823 0.112 0.000 0.686 468 V HN 0.519 nan 8.190 nan 0.000 0.468 469 K N 2.125 122.526 120.400 0.002 0.000 2.103 469 K HA -0.157 4.161 4.320 -0.003 0.000 0.204 469 K C 1.817 178.413 176.600 -0.007 0.000 1.052 469 K CA 1.686 57.969 56.287 -0.006 0.000 0.945 469 K CB -0.533 31.956 32.500 -0.018 0.000 0.722 469 K HN 0.659 nan 8.250 nan 0.000 0.443 470 E N 1.312 121.507 120.200 -0.008 0.000 2.016 470 E HA -0.128 4.220 4.350 -0.003 0.000 0.190 470 E C 2.188 178.776 176.600 -0.021 0.000 0.985 470 E CA 1.113 57.505 56.400 -0.013 0.000 0.802 470 E CB -0.702 28.992 29.700 -0.011 0.000 0.762 470 E HN 0.229 nan 8.360 nan 0.000 0.448 471 I N 1.982 122.534 120.570 -0.030 0.000 2.229 471 I HA -0.340 3.828 4.170 -0.003 0.000 0.250 471 I C 2.591 178.685 176.117 -0.038 0.000 1.096 471 I CA 1.651 62.923 61.300 -0.046 0.000 1.358 471 I CB -0.260 37.695 38.000 -0.075 0.000 1.047 471 I HN 0.268 nan 8.210 nan 0.000 0.422 472 A N -0.351 122.456 122.820 -0.022 0.000 2.119 472 A HA -0.135 4.183 4.320 -0.003 0.000 0.216 472 A C 2.272 179.853 177.584 -0.006 0.000 1.152 472 A CA 1.242 53.275 52.037 -0.007 0.000 0.708 472 A CB -0.333 18.679 19.000 0.020 0.000 0.805 472 A HN 0.547 nan 8.150 nan 0.000 0.460 473 E N 0.516 120.711 120.200 -0.010 0.000 2.216 473 E HA -0.067 4.281 4.350 -0.003 0.000 0.192 473 E C 1.481 178.073 176.600 -0.013 0.000 0.973 473 E CA 0.778 57.172 56.400 -0.009 0.000 0.851 473 E CB -0.415 29.280 29.700 -0.009 0.000 0.804 473 E HN 0.470 nan 8.360 nan 0.000 0.477 474 K N 1.530 121.920 120.400 -0.017 0.000 2.643 474 K HA -0.101 4.218 4.320 -0.003 0.000 0.193 474 K C 0.299 176.888 176.600 -0.019 0.000 1.027 474 K CA 0.987 57.263 56.287 -0.019 0.000 1.033 474 K CB 0.004 32.489 32.500 -0.023 0.000 0.827 474 K HN 0.372 nan 8.250 nan 0.000 0.500 475 E N -2.033 118.157 120.200 -0.016 0.000 3.083 475 E HA 0.115 4.463 4.350 -0.003 0.000 0.168 475 E C 0.136 176.732 176.600 -0.007 0.000 0.934 475 E CA 0.007 56.399 56.400 -0.013 0.000 1.361 475 E CB 0.162 29.851 29.700 -0.017 0.000 1.032 475 E HN 0.163 nan 8.360 nan 0.000 0.447 476 G N 0.791 109.588 108.800 -0.006 0.000 2.272 476 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.280 476 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.280 476 G C -0.052 174.849 174.900 0.002 0.000 1.067 476 G CA 0.412 45.510 45.100 -0.003 0.000 0.902 476 G HN 0.298 nan 8.290 nan 0.000 0.500 477 V N -0.560 119.357 119.914 0.004 0.000 2.914 477 V HA 0.704 4.823 4.120 -0.003 0.000 0.314 477 V C 0.003 176.101 176.094 0.008 0.000 1.084 477 V CA -1.560 60.746 62.300 0.010 0.000 0.963 477 V CB 2.148 33.984 31.823 0.022 0.000 1.025 477 V HN 0.187 nan 8.190 nan 0.000 0.432 478 K N 1.230 121.635 120.400 0.007 0.000 2.110 478 K HA 0.416 4.735 4.320 -0.003 0.000 0.263 478 K C -0.329 176.268 176.600 -0.004 0.000 0.975 478 K CA -0.632 55.656 56.287 0.000 0.000 0.895 478 K CB 2.071 34.570 32.500 -0.001 0.000 1.060 478 K HN 0.514 nan 8.250 nan 0.000 0.448 479 V N 4.207 124.116 119.914 -0.010 0.000 2.266 479 V HA 0.026 4.144 4.120 -0.003 0.000 0.240 479 V C -0.329 175.750 176.094 -0.024 0.000 1.225 479 V CA 0.317 62.606 62.300 -0.018 0.000 1.237 479 V CB -1.348 30.465 31.823 -0.017 0.000 1.343 479 V HN 0.573 nan 8.190 nan 0.000 0.496 480 N N 6.213 124.894 118.700 -0.031 0.000 2.976 480 N HA 0.413 5.151 4.740 -0.003 0.000 0.255 480 N C -0.610 174.865 175.510 -0.058 0.000 1.312 480 N CA -0.442 52.589 53.050 -0.031 0.000 0.897 480 N CB 0.740 39.217 38.487 -0.016 0.000 1.184 480 N HN 0.580 nan 8.380 nan 0.000 0.497 481 I N 2.417 122.946 120.570 -0.069 0.000 2.322 481 I HA 0.227 4.395 4.170 -0.003 0.000 0.292 481 I C -1.897 174.205 176.117 -0.024 0.000 1.060 481 I CA -1.707 59.523 61.300 -0.117 0.000 1.309 481 I CB 0.405 38.332 38.000 -0.121 0.000 1.415 481 I HN 0.081 nan 8.210 nan 0.000 0.492 482 P HA 0.003 nan 4.420 nan 0.000 0.265 482 P C 0.309 177.702 177.300 0.154 0.000 1.193 482 P CA -0.065 63.096 63.100 0.103 0.000 0.765 482 P CB 0.622 32.420 31.700 0.163 0.000 0.823 483 D N 1.824 122.309 120.400 0.141 0.000 2.104 483 D HA -0.148 4.490 4.640 -0.003 0.000 0.194 483 D C 1.016 177.435 176.300 0.198 0.000 0.994 483 D CA 1.348 55.444 54.000 0.160 0.000 0.830 483 D CB -0.282 40.604 40.800 0.144 0.000 0.959 483 D HN 0.525 nan 8.370 nan 0.000 0.452 484 N N 0.617 119.420 118.700 0.172 0.000 2.410 484 N HA -0.080 4.658 4.740 -0.003 0.000 0.231 484 N C 1.201 176.811 175.510 0.168 0.000 1.172 484 N CA -0.259 52.882 53.050 0.152 0.000 0.849 484 N CB -0.492 38.050 38.487 0.091 0.000 1.116 484 N HN 0.078 nan 8.380 nan 0.000 0.485 485 F N 1.795 121.784 119.950 0.065 0.000 2.026 485 F HA -0.156 4.369 4.527 -0.004 0.000 0.296 485 F C 1.461 177.217 175.800 -0.073 0.000 1.133 485 F CA 1.439 59.414 58.000 -0.042 0.000 1.188 485 F CB -0.518 38.404 39.000 -0.131 0.000 0.968 485 F HN -0.058 nan 8.300 nan 0.000 0.476 486 Y N 0.493 120.752 120.300 -0.068 0.000 2.256 486 Y HA -0.251 4.298 4.550 -0.002 0.000 0.288 486 Y C 3.010 178.803 175.900 -0.178 0.000 1.155 486 Y CA 1.765 59.745 58.100 -0.201 0.000 1.203 486 Y CB -1.073 37.380 38.460 -0.012 0.000 0.980 486 Y HN 0.267 nan 8.280 nan 0.000 0.530 487 S N -0.136 115.597 115.700 0.056 0.000 2.395 487 S HA -0.236 4.232 4.470 -0.003 0.000 0.225 487 S C 2.029 176.594 174.600 -0.058 0.000 1.027 487 S CA 0.978 59.205 58.200 0.044 0.000 0.965 487 S CB -0.721 62.518 63.200 0.066 0.000 0.812 487 S HN 0.632 nan 8.310 nan 0.000 0.482 488 M N 1.233 120.754 119.600 -0.131 0.000 2.229 488 M HA 0.035 4.514 4.480 -0.003 0.000 0.264 488 M C 1.858 178.006 176.300 -0.254 0.000 1.063 488 M CA 1.458 56.657 55.300 -0.168 0.000 1.114 488 M CB -0.382 32.132 32.600 -0.144 0.000 1.387 488 M HN 0.208 nan 8.290 nan 0.000 0.420 489 V N 1.322 120.981 119.914 -0.426 0.000 2.427 489 V HA -0.157 3.961 4.120 -0.003 0.000 0.248 489 V C 2.821 178.816 176.094 -0.165 0.000 1.051 489 V CA 1.820 63.882 62.300 -0.397 0.000 1.048 489 V CB -0.922 30.453 31.823 -0.747 0.000 0.666 489 V HN 0.693 nan 8.190 nan 0.000 0.456 490 A N -0.593 122.146 122.820 -0.135 0.000 2.067 490 A HA -0.155 4.163 4.320 -0.003 0.000 0.219 490 A C 2.180 179.663 177.584 -0.169 0.000 1.158 490 A CA 1.217 53.184 52.037 -0.116 0.000 0.661 490 A CB -0.310 18.636 19.000 -0.091 0.000 0.801 490 A HN 0.413 nan 8.150 nan 0.000 0.452 491 K N 0.688 121.002 120.400 -0.145 0.000 2.097 491 K HA -0.090 4.228 4.320 -0.003 0.000 0.206 491 K C 0.711 177.191 176.600 -0.200 0.000 1.049 491 K CA 0.822 57.023 56.287 -0.145 0.000 0.933 491 K CB -0.335 32.098 32.500 -0.111 0.000 0.717 491 K HN 0.502 nan 8.250 nan 0.000 0.442 492 E N 0.708 120.766 120.200 -0.236 0.000 2.352 492 E HA -0.002 4.347 4.350 -0.003 0.000 0.197 492 E C 0.714 177.013 176.600 -0.501 0.000 1.224 492 E CA 0.082 56.310 56.400 -0.288 0.000 1.118 492 E CB -0.345 29.224 29.700 -0.217 0.000 1.198 492 E HN 0.191 nan 8.360 nan 0.000 0.454 493 A N 1.345 123.879 122.820 -0.478 0.000 2.387 493 A HA 0.059 4.378 4.320 -0.003 0.000 0.234 493 A C 0.409 177.791 177.584 -0.335 0.000 1.253 493 A CA -0.028 51.661 52.037 -0.581 0.000 0.894 493 A CB 0.135 18.844 19.000 -0.485 0.000 0.963 493 A HN 0.148 nan 8.150 nan 0.000 0.508 494 E N -0.938 119.113 120.200 -0.248 0.000 2.388 494 E HA 0.523 4.871 4.350 -0.003 0.000 0.280 494 E C -1.256 175.266 176.600 -0.131 0.000 1.019 494 E CA -0.867 55.433 56.400 -0.166 0.000 0.806 494 E CB 0.651 30.268 29.700 -0.139 0.000 1.246 494 E HN 0.046 nan 8.360 nan 0.000 0.443 495 R N 0.168 120.608 120.500 -0.101 0.000 2.782 495 R HA 0.716 5.055 4.340 -0.003 0.000 0.258 495 R C -0.459 175.801 176.300 -0.067 0.000 1.055 495 R CA 0.728 56.780 56.100 -0.079 0.000 1.065 495 R CB 0.719 30.980 30.300 -0.065 0.000 1.172 495 R HN 0.798 nan 8.270 nan 0.000 0.510 505 V N 0.551 120.446 119.914 -0.032 0.000 0.489 505 V HA -0.315 3.803 4.120 -0.003 0.000 0.092 505 V C 0.038 175.943 176.094 -0.315 0.000 2.367 505 V CA 2.676 64.878 62.300 -0.163 0.000 3.630 505 V CB -0.176 31.497 31.823 -0.250 0.000 0.914 505 V HN 0.948 nan 8.190 nan 0.000 0.957 506 D N -1.623 118.596 120.400 -0.302 0.000 2.721 506 D HA 0.539 5.177 4.640 -0.003 0.000 0.221 506 D C -0.986 175.187 176.300 -0.213 0.000 1.208 506 D CA 0.424 54.175 54.000 -0.415 0.000 0.755 506 D CB 1.163 41.654 40.800 -0.515 0.000 1.732 506 D HN 0.651 nan 8.370 nan 0.000 0.490 507 F N 1.282 121.170 119.950 -0.104 0.000 2.745 507 F HA 0.782 5.308 4.527 -0.003 0.000 0.316 507 F C 1.065 176.836 175.800 -0.048 0.000 1.155 507 F CA -0.750 57.206 58.000 -0.073 0.000 0.937 507 F CB 0.905 39.871 39.000 -0.056 0.000 1.361 507 F HN 0.421 nan 8.300 nan 0.000 0.472 508 E N -0.212 120.149 120.200 0.268 0.000 3.907 508 E HA -0.211 4.137 4.350 -0.003 0.000 0.175 508 E C 0.727 177.376 176.600 0.083 0.000 1.090 508 E CA 1.818 58.328 56.400 0.185 0.000 2.543 508 E CB -1.508 28.335 29.700 0.240 0.000 1.668 508 E HN 0.681 nan 8.360 nan 0.000 0.516 509 L N 1.336 122.587 121.223 0.046 0.000 2.784 509 L HA 0.018 4.356 4.340 -0.003 0.000 0.247 509 L C 1.621 178.502 176.870 0.020 0.000 1.162 509 L CA 0.769 55.624 54.840 0.024 0.000 0.881 509 L CB -0.386 41.677 42.059 0.006 0.000 1.032 509 L HN 0.233 nan 8.230 nan 0.000 0.446 510 L N -1.519 119.719 121.223 0.024 0.000 2.500 510 L HA 0.085 4.424 4.340 -0.003 0.000 0.219 510 L C 2.301 179.184 176.870 0.021 0.000 1.057 510 L CA 0.508 55.358 54.840 0.016 0.000 0.854 510 L CB -0.321 41.741 42.059 0.005 0.000 1.078 510 L HN 0.037 nan 8.230 nan 0.000 0.480 511 K N 1.003 121.420 120.400 0.027 0.000 2.103 511 K HA -0.207 4.112 4.320 -0.003 0.000 0.207 511 K C 1.676 178.290 176.600 0.023 0.000 1.048 511 K CA 2.060 58.362 56.287 0.025 0.000 0.930 511 K CB -0.442 32.074 32.500 0.027 0.000 0.716 511 K HN 0.513 nan 8.250 nan 0.000 0.444 512 D N 0.136 120.550 120.400 0.023 0.000 2.178 512 D HA -0.162 4.477 4.640 -0.003 0.000 0.202 512 D C 0.662 176.975 176.300 0.021 0.000 0.974 512 D CA 0.454 54.467 54.000 0.022 0.000 0.841 512 D CB -0.353 40.460 40.800 0.022 0.000 0.953 512 D HN 0.233 nan 8.370 nan 0.000 0.478 513 L N 2.018 123.254 121.223 0.022 0.000 2.452 513 L HA 0.207 4.545 4.340 -0.003 0.000 0.267 513 L C -1.669 175.215 176.870 0.023 0.000 1.188 513 L CA -1.605 53.249 54.840 0.024 0.000 0.821 513 L CB 0.235 42.310 42.059 0.026 0.000 1.102 513 L HN -0.021 nan 8.230 nan 0.000 0.470 514 P HA 0.132 nan 4.420 nan 0.000 0.274 514 P C -1.205 176.107 177.300 0.021 0.000 1.256 514 P CA -0.639 62.474 63.100 0.020 0.000 0.795 514 P CB 0.479 32.191 31.700 0.021 0.000 1.038 515 D N -0.262 120.146 120.400 0.015 0.000 2.400 515 D HA 0.113 4.751 4.640 -0.003 0.000 0.238 515 D C 0.077 176.389 176.300 0.019 0.000 1.157 515 D CA 0.703 54.711 54.000 0.014 0.000 0.889 515 D CB -0.261 40.541 40.800 0.003 0.000 1.199 515 D HN 0.207 nan 8.370 nan 0.000 0.436 516 T N 1.461 116.029 114.554 0.023 0.000 2.817 516 T HA 0.194 4.542 4.350 -0.003 0.000 0.293 516 T C 0.589 175.291 174.700 0.004 0.000 0.964 516 T CA -0.626 61.493 62.100 0.032 0.000 1.085 516 T CB 0.772 69.671 68.868 0.052 0.000 0.921 516 T HN 0.211 nan 8.240 nan 0.000 0.502 517 R N 2.482 122.983 120.500 0.001 0.000 2.401 517 R HA 0.138 4.477 4.340 -0.003 0.000 0.299 517 R C -0.229 176.009 176.300 -0.103 0.000 1.064 517 R CA -0.238 55.842 56.100 -0.034 0.000 1.000 517 R CB 0.349 30.643 30.300 -0.010 0.000 0.973 517 R HN 0.557 nan 8.270 nan 0.000 0.438 518 R N 5.768 126.147 120.500 -0.201 0.000 2.522 518 R HA 0.140 4.478 4.340 -0.003 0.000 0.290 518 R C 0.857 176.822 176.300 -0.558 0.000 1.216 518 R CA -0.239 55.532 56.100 -0.548 0.000 1.250 518 R CB 0.554 30.362 30.300 -0.820 0.000 1.143 518 R HN 0.657 nan 8.270 nan 0.000 0.553 519 L N 1.634 122.644 121.223 -0.354 0.000 2.265 519 L HA -0.190 4.148 4.340 -0.003 0.000 0.215 519 L C 1.729 178.534 176.870 -0.109 0.000 1.117 519 L CA 1.242 55.978 54.840 -0.173 0.000 0.782 519 L CB -0.448 41.524 42.059 -0.146 0.000 0.914 519 L HN 0.656 nan 8.230 nan 0.000 0.441 520 Y N -3.251 116.998 120.300 -0.085 0.000 2.497 520 Y HA -0.152 4.396 4.550 -0.003 0.000 0.292 520 Y C 2.086 178.010 175.900 0.039 0.000 1.137 520 Y CA 0.466 58.532 58.100 -0.056 0.000 1.285 520 Y CB -0.979 37.424 38.460 -0.095 0.000 0.991 520 Y HN -0.014 nan 8.280 nan 0.000 0.556 521 Y N 1.299 121.475 120.300 -0.206 0.000 2.420 521 Y HA 0.019 4.568 4.550 -0.003 0.000 0.292 521 Y C 2.024 177.980 175.900 0.093 0.000 1.119 521 Y CA 0.475 58.553 58.100 -0.036 0.000 1.229 521 Y CB -0.380 38.077 38.460 -0.006 0.000 1.026 521 Y HN 0.347 nan 8.280 nan 0.000 0.554 522 E N -0.468 119.866 120.200 0.224 0.000 2.028 522 E HA -0.100 4.248 4.350 -0.003 0.000 0.190 522 E C 0.037 176.779 176.600 0.236 0.000 0.984 522 E CA 1.212 57.739 56.400 0.213 0.000 0.800 522 E CB 0.153 29.932 29.700 0.133 0.000 0.758 522 E HN 0.081 nan 8.360 nan 0.000 0.448 523 D N -0.636 119.885 120.400 0.201 0.000 2.575 523 D HA 0.103 4.742 4.640 -0.003 0.000 0.250 523 D C -2.124 174.296 176.300 0.201 0.000 1.279 523 D CA -2.401 51.736 54.000 0.228 0.000 0.925 523 D CB 1.635 42.554 40.800 0.198 0.000 1.261 523 D HN -0.240 nan 8.370 nan 0.000 0.567 524 P HA -0.008 nan 4.420 nan 0.000 0.225 524 P C 1.027 178.345 177.300 0.030 0.000 1.156 524 P CA 0.450 63.563 63.100 0.022 0.000 0.787 524 P CB 0.133 31.726 31.700 -0.178 0.000 0.802 525 F N -1.248 118.835 119.950 0.222 0.000 2.789 525 F HA 0.240 4.765 4.527 -0.003 0.000 0.300 525 F C 1.680 177.447 175.800 -0.054 0.000 1.132 525 F CA -0.144 57.936 58.000 0.134 0.000 1.404 525 F CB -0.528 38.510 39.000 0.062 0.000 1.114 525 F HN -0.142 nan 8.300 nan 0.000 0.584 526 M N 2.364 122.077 119.600 0.189 0.000 2.284 526 M HA -0.050 4.428 4.480 -0.003 0.000 0.351 526 M C 1.079 177.438 176.300 0.098 0.000 1.443 526 M CA 0.848 56.215 55.300 0.111 0.000 1.031 526 M CB 0.371 33.045 32.600 0.124 0.000 1.893 526 M HN 0.257 nan 8.290 nan 0.000 0.456 527 K N 2.819 123.240 120.400 0.035 0.000 2.517 527 K HA 0.321 4.639 4.320 -0.003 0.000 0.210 527 K C -0.527 176.113 176.600 0.067 0.000 1.166 527 K CA -0.247 56.074 56.287 0.057 0.000 1.030 527 K CB 0.832 33.280 32.500 -0.086 0.000 0.974 527 K HN 0.625 nan 8.250 nan 0.000 0.585 528 E N 0.786 121.047 120.200 0.102 0.000 2.340 528 E HA 0.488 4.836 4.350 -0.003 0.000 0.273 528 E C -1.448 175.298 176.600 0.243 0.000 0.891 528 E CA -1.009 55.442 56.400 0.084 0.000 0.757 528 E CB 2.027 31.776 29.700 0.082 0.000 1.231 528 E HN 0.148 nan 8.360 nan 0.000 0.439 529 F N -1.112 118.786 119.950 -0.088 0.000 2.773 529 F HA 0.510 5.036 4.527 -0.003 0.000 0.314 529 F C -1.780 174.064 175.800 0.073 0.000 1.160 529 F CA -0.984 57.033 58.000 0.029 0.000 0.920 529 F CB 1.308 40.327 39.000 0.031 0.000 1.323 529 F HN 0.150 nan 8.300 nan 0.000 0.457 530 D N 1.063 121.548 120.400 0.141 0.000 2.433 530 D HA 0.749 5.387 4.640 -0.003 0.000 0.236 530 D C -1.097 175.319 176.300 0.193 0.000 1.026 530 D CA -0.417 53.623 54.000 0.066 0.000 0.884 530 D CB 2.309 43.188 40.800 0.131 0.000 1.384 530 D HN 1.001 nan 8.370 nan 0.000 0.477 531 A N 1.268 124.166 122.820 0.131 0.000 2.601 531 A HA 0.454 4.772 4.320 -0.003 0.000 0.291 531 A C -1.264 176.393 177.584 0.123 0.000 1.075 531 A CA -0.759 51.390 52.037 0.187 0.000 0.671 531 A CB 1.815 21.011 19.000 0.327 0.000 1.277 531 A HN 0.357 nan 8.150 nan 0.000 0.417 532 K N 0.854 121.323 120.400 0.115 0.000 2.183 532 K HA 0.518 4.836 4.320 -0.003 0.000 0.274 532 K C -0.799 175.859 176.600 0.096 0.000 1.009 532 K CA -0.490 55.852 56.287 0.091 0.000 0.888 532 K CB 1.498 34.043 32.500 0.075 0.000 1.078 532 K HN 0.472 nan 8.250 nan 0.000 0.459 533 V N 6.348 126.323 119.914 0.100 0.000 2.403 533 V HA -0.063 4.055 4.120 -0.003 0.000 0.265 533 V C 1.260 177.402 176.094 0.081 0.000 1.034 533 V CA 0.114 62.477 62.300 0.104 0.000 1.036 533 V CB 0.411 32.324 31.823 0.150 0.000 1.032 533 V HN 0.727 nan 8.190 nan 0.000 0.478 534 L N 4.296 125.562 121.223 0.072 0.000 2.240 534 L HA 0.188 4.527 4.340 -0.003 0.000 0.211 534 L C 1.023 177.925 176.870 0.053 0.000 1.106 534 L CA 1.145 56.021 54.840 0.060 0.000 0.793 534 L CB -0.650 41.444 42.059 0.059 0.000 0.927 534 L HN 0.815 nan 8.230 nan 0.000 0.446 535 R N -2.387 118.146 120.500 0.054 0.000 3.197 535 R HA 0.379 4.717 4.340 -0.003 0.000 0.261 535 R C -1.968 174.359 176.300 0.044 0.000 1.015 535 R CA -0.285 55.843 56.100 0.047 0.000 0.949 535 R CB 0.825 31.149 30.300 0.040 0.000 1.256 535 R HN -0.347 nan 8.270 nan 0.000 0.514 536 V N 5.178 125.118 119.914 0.042 0.000 2.405 536 V HA 0.374 4.493 4.120 -0.003 0.000 0.253 536 V C 0.015 176.133 176.094 0.039 0.000 0.963 536 V CA -0.499 61.822 62.300 0.034 0.000 1.003 536 V CB 0.576 32.425 31.823 0.044 0.000 1.251 536 V HN 0.596 nan 8.190 nan 0.000 0.520 537 I N 2.687 123.288 120.570 0.051 0.000 2.648 537 I HA 0.146 4.314 4.170 -0.003 0.000 0.284 537 I C 1.283 177.455 176.117 0.092 0.000 1.153 537 I CA 0.358 61.689 61.300 0.052 0.000 1.426 537 I CB 0.219 38.236 38.000 0.029 0.000 1.381 537 I HN 0.522 nan 8.210 nan 0.000 0.571 538 K N 3.682 124.118 120.400 0.060 0.000 1.888 538 K HA -0.299 4.019 4.320 -0.003 0.000 0.114 538 K C 0.516 177.116 176.600 -0.000 0.000 1.252 538 K CA 2.223 58.542 56.287 0.054 0.000 0.446 538 K CB -0.591 31.985 32.500 0.126 0.000 0.566 538 K HN 0.952 nan 8.250 nan 0.000 0.937 539 D N -0.314 120.035 120.400 -0.086 0.000 2.388 539 D HA 0.099 4.738 4.640 -0.003 0.000 0.221 539 D C -0.541 175.495 176.300 -0.441 0.000 1.133 539 D CA -0.021 53.827 54.000 -0.252 0.000 0.831 539 D CB -0.387 40.235 40.800 -0.296 0.000 0.962 539 D HN 0.276 nan 8.370 nan 0.000 0.502 540 W N 0.579 121.803 121.300 -0.126 0.000 2.351 540 W HA 0.500 5.158 4.660 -0.003 0.000 0.311 540 W C -0.212 176.219 176.519 -0.146 0.000 1.168 540 W CA -0.900 56.361 57.345 -0.140 0.000 1.200 540 W CB 1.526 30.913 29.460 -0.122 0.000 1.221 540 W HN -0.332 nan 8.180 nan 0.000 0.519 541 V N 5.713 125.642 119.914 0.024 0.000 2.417 541 V HA 0.390 4.509 4.120 -0.003 0.000 0.291 541 V C 0.110 176.251 176.094 0.078 0.000 1.024 541 V CA -1.027 61.228 62.300 -0.076 0.000 0.861 541 V CB 1.093 32.663 31.823 -0.422 0.000 0.985 541 V HN 0.353 nan 8.190 nan 0.000 0.436 542 I N 6.005 126.619 120.570 0.073 0.000 2.385 542 I HA 0.478 4.646 4.170 -0.003 0.000 0.294 542 I C -0.340 175.834 176.117 0.095 0.000 0.988 542 I CA -0.267 61.102 61.300 0.114 0.000 1.265 542 I CB 1.335 39.382 38.000 0.078 0.000 1.388 542 I HN 0.375 nan 8.210 nan 0.000 0.480 543 L N 4.054 125.358 121.223 0.136 0.000 2.256 543 L HA 0.432 4.770 4.340 -0.003 0.000 0.261 543 L C 0.843 177.789 176.870 0.126 0.000 1.022 543 L CA -0.753 54.160 54.840 0.120 0.000 0.828 543 L CB 1.380 43.517 42.059 0.130 0.000 1.374 543 L HN 0.591 nan 8.230 nan 0.000 0.436 544 D N 0.172 120.644 120.400 0.119 0.000 2.149 544 D HA 0.042 4.680 4.640 -0.003 0.000 0.206 544 D C 0.400 176.756 176.300 0.093 0.000 0.967 544 D CA 0.580 54.636 54.000 0.095 0.000 0.848 544 D CB 0.341 41.192 40.800 0.085 0.000 0.998 544 D HN 0.429 nan 8.370 nan 0.000 0.474 545 A N -0.639 122.256 122.820 0.125 0.000 2.413 545 A HA 0.627 4.945 4.320 -0.003 0.000 0.307 545 A C -0.786 176.857 177.584 0.097 0.000 1.087 545 A CA -0.426 51.664 52.037 0.089 0.000 0.750 545 A CB 2.306 21.356 19.000 0.084 0.000 1.296 545 A HN 0.099 nan 8.150 nan 0.000 0.423 546 T N -0.574 113.910 114.554 -0.117 0.000 2.982 546 T HA 0.549 4.897 4.350 -0.003 0.000 0.321 546 T C 0.261 174.609 174.700 -0.587 0.000 1.229 546 T CA 0.456 62.313 62.100 -0.405 0.000 1.044 546 T CB 1.413 70.433 68.868 0.253 0.000 1.184 546 T HN 1.630 nan 8.240 nan 0.000 0.477 547 A N 3.359 125.448 122.820 -1.218 0.000 2.267 547 A HA 0.439 4.757 4.320 -0.003 0.000 0.213 547 A C 0.260 177.787 177.584 -0.095 0.000 1.192 547 A CA -0.166 51.597 52.037 -0.458 0.000 0.851 547 A CB -0.350 18.396 19.000 -0.424 0.000 0.881 547 A HN 0.688 nan 8.150 nan 0.000 0.494 548 F N 0.142 120.119 119.950 0.046 0.000 2.533 548 F HA 0.191 4.716 4.527 -0.003 0.000 0.378 548 F C 0.343 176.133 175.800 -0.017 0.000 1.070 548 F CA 0.013 58.097 58.000 0.140 0.000 1.172 548 F CB -0.082 39.097 39.000 0.300 0.000 1.085 548 F HN 0.331 nan 8.300 nan 0.000 0.552 549 Y N 7.281 127.466 120.300 -0.192 0.000 2.480 549 Y HA 0.269 4.817 4.550 -0.003 0.000 0.341 549 Y C -2.248 173.529 175.900 -0.205 0.000 1.031 549 Y CA -2.943 54.794 58.100 -0.605 0.000 1.295 549 Y CB 0.290 38.342 38.460 -0.680 0.000 1.162 549 Y HN 0.326 nan 8.280 nan 0.000 0.523 550 P HA 0.056 nan 4.420 nan 0.000 0.278 550 P C -0.751 176.265 177.300 -0.473 0.000 1.238 550 P CA -0.339 62.519 63.100 -0.403 0.000 0.794 550 P CB 0.943 32.448 31.700 -0.325 0.000 0.955 551 E N 0.698 120.854 120.200 -0.074 0.000 2.565 551 E HA 0.276 4.625 4.350 -0.003 0.000 0.268 551 E C 0.274 176.821 176.600 -0.088 0.000 1.000 551 E CA 1.428 57.820 56.400 -0.014 0.000 0.964 551 E CB -0.221 29.537 29.700 0.097 0.000 0.955 551 E HN 0.811 nan 8.360 nan 0.000 0.459 552 G N 0.768 109.564 108.800 -0.006 0.000 2.379 552 G HA2 0.392 4.350 3.960 -0.003 0.000 0.609 552 G HA3 0.392 4.350 3.960 -0.003 0.000 0.609 552 G C 0.368 175.341 174.900 0.121 0.000 1.484 552 G CA -0.149 44.968 45.100 0.029 0.000 0.921 552 G HN 1.203 nan 8.290 nan 0.000 0.658 553 G N -0.801 108.056 108.800 0.096 0.000 2.213 553 G HA2 0.403 4.361 3.960 -0.003 0.000 0.226 553 G HA3 0.403 4.361 3.960 -0.003 0.000 0.226 553 G C 1.780 176.681 174.900 0.002 0.000 0.992 553 G CA 1.262 46.433 45.100 0.120 0.000 0.632 553 G HN 3.031 nan 8.290 nan 0.000 0.511 554 G N -0.729 108.038 108.800 -0.055 0.000 2.307 554 G HA2 -0.150 3.809 3.960 -0.003 0.000 0.210 554 G HA3 -0.150 3.809 3.960 -0.003 0.000 0.210 554 G C 0.281 175.028 174.900 -0.256 0.000 1.005 554 G CA 1.088 46.102 45.100 -0.144 0.000 0.634 554 G HN 1.503 nan 8.290 nan 0.000 0.496 555 Q N 2.369 122.007 119.800 -0.271 0.000 2.296 555 Q HA 0.524 4.862 4.340 -0.003 0.000 0.262 555 Q C -2.143 173.693 176.000 -0.275 0.000 0.981 555 Q CA -1.661 53.916 55.803 -0.375 0.000 0.905 555 Q CB 1.586 30.112 28.738 -0.355 0.000 1.186 555 Q HN 0.331 nan 8.270 nan 0.000 0.399 556 P HA 0.059 nan 4.420 nan 0.000 0.279 556 P C -1.192 175.949 177.300 -0.265 0.000 1.282 556 P CA -0.227 62.584 63.100 -0.482 0.000 0.788 556 P CB 0.190 31.471 31.700 -0.698 0.000 1.139 557 Y N -2.151 118.158 120.300 0.015 0.000 2.357 557 Y HA 0.332 4.880 4.550 -0.003 0.000 0.340 557 Y C 0.606 176.606 175.900 0.166 0.000 1.260 557 Y CA -0.718 57.435 58.100 0.089 0.000 1.425 557 Y CB -0.907 37.582 38.460 0.047 0.000 1.326 557 Y HN 0.165 nan 8.280 nan 0.000 0.580 558 D N 0.474 121.139 120.400 0.442 0.000 2.339 558 D HA 0.273 4.911 4.640 -0.003 0.000 0.245 558 D C 0.039 176.631 176.300 0.488 0.000 1.115 558 D CA 0.314 54.543 54.000 0.381 0.000 0.917 558 D CB 1.290 42.288 40.800 0.330 0.000 1.192 558 D HN 0.815 nan 8.370 nan 0.000 0.428 559 T N -1.955 112.834 114.554 0.392 0.000 2.858 559 T HA 0.854 5.202 4.350 -0.003 0.000 0.285 559 T C 0.275 175.244 174.700 0.447 0.000 1.052 559 T CA -0.481 61.860 62.100 0.401 0.000 1.009 559 T CB 2.126 71.152 68.868 0.264 0.000 1.241 559 T HN 0.505 nan 8.240 nan 0.000 0.542 560 G N -0.559 108.510 108.800 0.449 0.000 2.368 560 G HA2 0.463 4.421 3.960 -0.003 0.000 0.269 560 G HA3 0.463 4.421 3.960 -0.003 0.000 0.269 560 G C -1.244 173.863 174.900 0.345 0.000 1.291 560 G CA -0.154 45.182 45.100 0.393 0.000 0.903 560 G HN 1.735 nan 8.290 nan 0.000 0.483 561 V N -1.495 118.608 119.914 0.314 0.000 2.769 561 V HA 0.871 4.990 4.120 -0.003 0.000 0.312 561 V C -0.072 176.174 176.094 0.252 0.000 1.058 561 V CA -1.087 61.343 62.300 0.217 0.000 0.952 561 V CB 1.641 33.542 31.823 0.131 0.000 1.019 561 V HN 0.776 nan 8.190 nan 0.000 0.445 562 L N 4.025 125.356 121.223 0.180 0.000 2.294 562 L HA 0.546 4.885 4.340 -0.003 0.000 0.283 562 L C -0.434 176.513 176.870 0.129 0.000 1.015 562 L CA -0.403 54.535 54.840 0.163 0.000 0.831 562 L CB 1.523 43.730 42.059 0.248 0.000 1.217 562 L HN 0.568 nan 8.230 nan 0.000 0.420 563 I N 4.346 124.953 120.570 0.062 0.000 2.379 563 I HA 0.203 4.371 4.170 -0.003 0.000 0.290 563 I C -0.191 175.913 176.117 -0.022 0.000 1.063 563 I CA -0.029 61.292 61.300 0.036 0.000 1.351 563 I CB 1.298 39.349 38.000 0.084 0.000 1.410 563 I HN 0.269 nan 8.210 nan 0.000 0.505 564 V N 7.761 127.601 119.914 -0.123 0.000 2.623 564 V HA 0.352 4.470 4.120 -0.003 0.000 0.304 564 V C -0.118 175.859 176.094 -0.194 0.000 1.054 564 V CA -0.582 61.581 62.300 -0.229 0.000 0.882 564 V CB 1.596 33.069 31.823 -0.584 0.000 1.002 564 V HN 0.904 nan 8.190 nan 0.000 0.424 565 N N 4.895 123.511 118.700 -0.139 0.000 2.707 565 N HA -0.225 4.513 4.740 -0.003 0.000 0.253 565 N C 1.172 176.634 175.510 -0.080 0.000 0.998 565 N CA 1.540 54.530 53.050 -0.101 0.000 0.751 565 N CB -1.135 37.287 38.487 -0.107 0.000 0.920 565 N HN 1.800 nan 8.380 nan 0.000 0.539 566 G N -1.045 107.716 108.800 -0.065 0.000 2.220 566 G HA2 -0.399 3.560 3.960 -0.003 0.000 0.269 566 G HA3 -0.399 3.560 3.960 -0.003 0.000 0.269 566 G C 0.275 175.150 174.900 -0.042 0.000 0.977 566 G CA 0.820 45.893 45.100 -0.046 0.000 0.634 566 G HN 0.566 nan 8.290 nan 0.000 0.539 567 R N 1.018 121.480 120.500 -0.063 0.000 2.410 567 R HA 0.394 4.733 4.340 -0.003 0.000 0.288 567 R C -0.032 176.246 176.300 -0.037 0.000 1.051 567 R CA -0.377 55.690 56.100 -0.054 0.000 1.021 567 R CB 0.701 30.953 30.300 -0.079 0.000 1.032 567 R HN 0.448 nan 8.270 nan 0.000 0.481 568 E N 1.824 122.021 120.200 -0.007 0.000 2.227 568 E HA 0.250 4.598 4.350 -0.003 0.000 0.282 568 E C -0.689 175.930 176.600 0.032 0.000 1.015 568 E CA -0.442 55.972 56.400 0.024 0.000 0.823 568 E CB 1.909 31.629 29.700 0.034 0.000 1.081 568 E HN 0.133 nan 8.360 nan 0.000 0.396 569 V N 3.411 123.369 119.914 0.074 0.000 2.680 569 V HA 0.235 4.353 4.120 -0.003 0.000 0.309 569 V C -0.221 175.931 176.094 0.097 0.000 1.052 569 V CA -0.938 61.426 62.300 0.106 0.000 0.908 569 V CB 2.100 34.060 31.823 0.228 0.000 1.001 569 V HN 0.558 nan 8.190 nan 0.000 0.431 570 K N 2.371 122.801 120.400 0.051 0.000 2.205 570 K HA 0.569 4.887 4.320 -0.003 0.000 0.279 570 K C -0.949 175.631 176.600 -0.034 0.000 1.027 570 K CA -0.475 55.829 56.287 0.029 0.000 0.932 570 K CB 1.758 34.267 32.500 0.015 0.000 1.032 570 K HN 0.432 nan 8.250 nan 0.000 0.466 571 V N 3.392 123.287 119.914 -0.031 0.000 2.348 571 V HA 0.036 4.154 4.120 -0.003 0.000 0.270 571 V C 1.205 177.235 176.094 -0.107 0.000 1.037 571 V CA -0.241 61.971 62.300 -0.147 0.000 0.872 571 V CB 0.690 32.348 31.823 -0.274 0.000 1.002 571 V HN 1.014 nan 8.190 nan 0.000 0.464 572 T N 0.209 114.642 114.554 -0.202 0.000 3.014 572 T HA 0.180 4.528 4.350 -0.003 0.000 0.250 572 T C 0.635 175.112 174.700 -0.372 0.000 1.060 572 T CA -0.008 61.979 62.100 -0.188 0.000 1.040 572 T CB 0.151 68.912 68.868 -0.178 0.000 0.971 572 T HN 0.478 nan 8.240 nan 0.000 0.497 573 N N 0.234 118.631 118.700 -0.505 0.000 2.452 573 N HA 0.360 5.099 4.740 -0.003 0.000 0.277 573 N C -2.255 173.018 175.510 -0.395 0.000 1.078 573 N CA -0.299 52.288 53.050 -0.773 0.000 0.947 573 N CB 2.583 40.780 38.487 -0.485 0.000 1.655 573 N HN 0.034 nan 8.380 nan 0.000 0.490 574 V N 3.125 122.816 119.914 -0.373 0.000 2.483 574 V HA 0.517 4.636 4.120 -0.003 0.000 0.297 574 V C -0.300 175.741 176.094 -0.089 0.000 1.027 574 V CA -0.645 61.550 62.300 -0.174 0.000 0.855 574 V CB 1.573 33.309 31.823 -0.145 0.000 0.995 574 V HN 0.571 nan 8.190 nan 0.000 0.424 575 Q N 2.556 122.282 119.800 -0.124 0.000 2.873 575 Q HA 0.645 4.983 4.340 -0.003 0.000 0.297 575 Q C -0.882 174.992 176.000 -0.210 0.000 1.064 575 Q CA -0.887 54.816 55.803 -0.168 0.000 0.816 575 Q CB 2.560 31.128 28.738 -0.283 0.000 1.481 575 Q HN 0.658 nan 8.270 nan 0.000 0.488 576 K N 0.680 120.969 120.400 -0.185 0.000 2.695 576 K HA 0.356 4.674 4.320 -0.003 0.000 0.255 576 K C -1.660 174.871 176.600 -0.115 0.000 1.016 576 K CA -0.199 56.003 56.287 -0.140 0.000 0.928 576 K CB 1.047 33.482 32.500 -0.108 0.000 1.235 576 K HN 0.345 nan 8.250 nan 0.000 0.467 577 V N 3.892 123.734 119.914 -0.120 0.000 2.364 577 V HA 0.430 4.549 4.120 -0.003 0.000 0.272 577 V C 1.253 177.327 176.094 -0.034 0.000 1.036 577 V CA 0.548 62.800 62.300 -0.080 0.000 0.880 577 V CB 0.320 32.081 31.823 -0.104 0.000 0.991 577 V HN 1.109 nan 8.190 nan 0.000 0.460 578 G N 5.457 114.253 108.800 -0.007 0.000 2.634 578 G HA2 -0.323 3.635 3.960 -0.003 0.000 0.318 578 G HA3 -0.323 3.635 3.960 -0.003 0.000 0.318 578 G C 0.706 175.618 174.900 0.022 0.000 1.207 578 G CA 0.780 45.889 45.100 0.016 0.000 0.987 578 G HN 0.631 nan 8.290 nan 0.000 0.547 579 K N -0.075 120.338 120.400 0.021 0.000 2.387 579 K HA 0.446 4.764 4.320 -0.003 0.000 0.203 579 K C -0.129 176.480 176.600 0.015 0.000 1.030 579 K CA 0.062 56.364 56.287 0.026 0.000 1.099 579 K CB 1.325 33.842 32.500 0.028 0.000 0.863 579 K HN 0.242 nan 8.250 nan 0.000 0.529 580 V N 3.145 123.059 119.914 0.001 0.000 2.370 580 V HA 0.312 4.430 4.120 -0.003 0.000 0.283 580 V C -0.054 176.021 176.094 -0.031 0.000 1.023 580 V CA -0.995 61.303 62.300 -0.002 0.000 0.857 580 V CB 1.335 33.157 31.823 -0.003 0.000 0.985 580 V HN 0.191 nan 8.190 nan 0.000 0.443 581 I N 6.566 127.126 120.570 -0.018 0.000 2.331 581 I HA 0.627 4.795 4.170 -0.003 0.000 0.292 581 I C -0.066 175.997 176.117 -0.090 0.000 0.998 581 I CA -0.368 60.883 61.300 -0.082 0.000 1.267 581 I CB 0.982 38.930 38.000 -0.086 0.000 1.386 581 I HN 0.703 nan 8.210 nan 0.000 0.476 582 I N 4.031 124.508 120.570 -0.156 0.000 2.488 582 I HA 0.466 4.634 4.170 -0.003 0.000 0.299 582 I C -0.986 175.127 176.117 -0.006 0.000 0.984 582 I CA -0.517 60.766 61.300 -0.029 0.000 1.250 582 I CB 1.167 39.072 38.000 -0.158 0.000 1.389 582 I HN 0.587 nan 8.210 nan 0.000 0.488 583 H N 2.930 122.118 119.070 0.196 0.000 2.762 583 H HA 0.355 4.909 4.556 -0.003 0.000 0.310 583 H C -0.702 174.494 175.328 -0.220 0.000 1.004 583 H CA -0.816 55.203 56.048 -0.048 0.000 1.267 583 H CB 1.182 30.769 29.762 -0.292 0.000 1.437 583 H HN 0.529 nan 8.280 nan 0.000 0.498 584 K N 3.337 123.454 120.400 -0.471 0.000 2.412 584 K HA 0.280 4.598 4.320 -0.003 0.000 0.284 584 K C -0.429 175.825 176.600 -0.577 0.000 1.046 584 K CA -0.351 55.299 56.287 -1.062 0.000 0.999 584 K CB 0.142 31.669 32.500 -1.621 0.000 0.941 584 K HN 0.394 nan 8.250 nan 0.000 0.474 585 V N 0.812 120.425 119.914 -0.501 0.000 3.166 585 V HA 0.429 4.547 4.120 -0.003 0.000 0.317 585 V C 0.561 176.509 176.094 -0.244 0.000 1.136 585 V CA -0.491 61.614 62.300 -0.326 0.000 1.035 585 V CB 1.803 33.420 31.823 -0.344 0.000 1.110 585 V HN 0.893 nan 8.190 nan 0.000 0.450 586 E N -0.255 119.872 120.200 -0.122 0.000 2.299 586 E HA 0.047 4.395 4.350 -0.003 0.000 0.193 586 E C -0.222 176.355 176.600 -0.038 0.000 0.998 586 E CA 0.791 57.141 56.400 -0.083 0.000 0.851 586 E CB 0.316 29.989 29.700 -0.045 0.000 0.795 586 E HN 0.759 nan 8.360 nan 0.000 0.492 587 D N 0.291 120.709 120.400 0.029 0.000 2.412 587 D HA 0.087 4.725 4.640 -0.003 0.000 0.276 587 D C -1.854 174.540 176.300 0.157 0.000 1.196 587 D CA -2.042 52.007 54.000 0.081 0.000 0.905 587 D CB 1.123 41.981 40.800 0.096 0.000 1.081 587 D HN -0.094 nan 8.370 nan 0.000 0.502 588 P HA -0.052 nan 4.420 nan 0.000 0.222 588 P C 1.399 178.773 177.300 0.123 0.000 1.147 588 P CA 0.495 63.629 63.100 0.056 0.000 0.790 588 P CB 0.436 32.123 31.700 -0.022 0.000 0.780 589 G N 0.962 109.813 108.800 0.085 0.000 2.422 589 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.218 589 G HA3 -0.189 3.769 3.960 -0.003 0.000 0.218 589 G C 1.665 176.601 174.900 0.061 0.000 1.146 589 G CA 0.777 45.913 45.100 0.060 0.000 0.769 589 G HN 0.385 nan 8.290 nan 0.000 0.547 590 A N -0.693 122.165 122.820 0.064 0.000 2.235 590 A HA 0.509 4.827 4.320 -0.003 0.000 0.208 590 A C 0.026 177.448 177.584 -0.270 0.000 1.172 590 A CA -0.030 51.941 52.037 -0.109 0.000 0.786 590 A CB -0.251 18.631 19.000 -0.196 0.000 0.804 590 A HN 0.209 nan 8.150 nan 0.000 0.479 591 F N 0.019 119.955 119.950 -0.024 0.000 2.507 591 F HA 0.504 5.029 4.527 -0.003 0.000 0.325 591 F C 0.148 175.941 175.800 -0.011 0.000 1.116 591 F CA -0.774 57.214 58.000 -0.020 0.000 0.930 591 F CB 1.875 40.859 39.000 -0.026 0.000 1.146 591 F HN -0.217 nan 8.300 nan 0.000 0.447 592 K N 1.873 122.359 120.400 0.143 0.000 2.375 592 K HA 0.275 4.593 4.320 -0.003 0.000 0.249 592 K C -0.709 175.947 176.600 0.094 0.000 0.942 592 K CA -1.030 55.313 56.287 0.095 0.000 0.806 592 K CB 2.276 34.803 32.500 0.045 0.000 1.227 592 K HN 0.676 nan 8.250 nan 0.000 0.430 593 E N -0.039 120.206 120.200 0.074 0.000 2.604 593 E HA 0.006 4.354 4.350 -0.003 0.000 0.267 593 E C 0.944 177.575 176.600 0.053 0.000 0.970 593 E CA 2.057 58.494 56.400 0.062 0.000 0.956 593 E CB 0.135 29.863 29.700 0.047 0.000 0.939 593 E HN 0.742 nan 8.360 nan 0.000 0.465 594 G N 3.552 112.383 108.800 0.053 0.000 2.579 594 G HA2 -0.362 3.597 3.960 -0.003 0.000 0.222 594 G HA3 -0.362 3.597 3.960 -0.003 0.000 0.222 594 G C 0.443 175.371 174.900 0.047 0.000 1.201 594 G CA 0.149 45.275 45.100 0.044 0.000 0.710 594 G HN 0.577 nan 8.290 nan 0.000 0.516 595 M N 1.366 120.996 119.600 0.050 0.000 2.235 595 M HA 0.198 4.677 4.480 -0.003 0.000 0.336 595 M C 0.529 176.861 176.300 0.053 0.000 1.146 595 M CA 0.897 56.222 55.300 0.042 0.000 1.018 595 M CB 0.242 32.864 32.600 0.037 0.000 1.694 595 M HN 0.265 nan 8.290 nan 0.000 0.451 596 I N 3.877 124.467 120.570 0.034 0.000 2.315 596 I HA 0.295 4.463 4.170 -0.003 0.000 0.291 596 I C -0.356 175.779 176.117 0.031 0.000 1.006 596 I CA -0.778 60.546 61.300 0.039 0.000 1.265 596 I CB 0.908 38.926 38.000 0.029 0.000 1.387 596 I HN 0.385 nan 8.210 nan 0.000 0.475 597 V N 2.603 122.545 119.914 0.047 0.000 2.680 597 V HA 0.468 4.586 4.120 -0.003 0.000 0.309 597 V C -0.665 175.424 176.094 -0.008 0.000 1.052 597 V CA -0.841 61.482 62.300 0.037 0.000 0.908 597 V CB 1.613 33.504 31.823 0.114 0.000 1.001 597 V HN 0.674 nan 8.190 nan 0.000 0.431 598 H N 2.663 121.660 119.070 -0.121 0.000 2.594 598 H HA 0.725 5.279 4.556 -0.003 0.000 0.304 598 H C 0.341 175.517 175.328 -0.254 0.000 1.068 598 H CA 0.554 56.481 56.048 -0.202 0.000 1.308 598 H CB 1.047 30.737 29.762 -0.120 0.000 1.409 598 H HN 1.170 nan 8.280 nan 0.000 0.460 599 G N 4.141 112.334 108.800 -1.011 0.000 2.367 599 G HA2 0.399 4.357 3.960 -0.003 0.000 0.314 599 G HA3 0.399 4.357 3.960 -0.003 0.000 0.314 599 G C -1.117 173.401 174.900 -0.636 0.000 1.130 599 G CA -0.800 43.847 45.100 -0.755 0.000 0.864 599 G HN 0.647 nan 8.290 nan 0.000 0.486 600 K N 2.275 122.566 120.400 -0.182 0.000 2.541 600 K HA 0.364 4.682 4.320 -0.003 0.000 0.250 600 K C -0.510 176.069 176.600 -0.036 0.000 0.950 600 K CA -0.840 55.384 56.287 -0.104 0.000 0.805 600 K CB 1.296 33.771 32.500 -0.042 0.000 1.166 600 K HN 0.238 nan 8.250 nan 0.000 0.430 601 I N 2.708 123.222 120.570 -0.093 0.000 2.575 601 I HA 0.018 4.187 4.170 -0.003 0.000 0.285 601 I C 0.466 176.645 176.117 0.103 0.000 1.085 601 I CA -0.211 61.030 61.300 -0.099 0.000 1.403 601 I CB 0.767 38.738 38.000 -0.047 0.000 1.409 601 I HN 0.729 nan 8.210 nan 0.000 0.557 602 D N 6.114 126.588 120.400 0.123 0.000 2.367 602 D HA -0.093 4.545 4.640 -0.003 0.000 0.255 602 D C 0.863 177.223 176.300 0.100 0.000 1.300 602 D CA -0.008 54.064 54.000 0.121 0.000 0.959 602 D CB 0.210 41.071 40.800 0.102 0.000 1.064 602 D HN 0.531 nan 8.370 nan 0.000 0.509 603 W N 4.961 126.251 121.300 -0.017 0.000 2.379 603 W HA -0.152 4.506 4.660 -0.003 0.000 0.307 603 W C 1.261 177.755 176.519 -0.041 0.000 1.200 603 W CA 0.494 57.827 57.345 -0.021 0.000 1.297 603 W CB 0.159 29.625 29.460 0.010 0.000 1.140 603 W HN 0.346 nan 8.180 nan 0.000 0.507 604 K N 0.336 120.667 120.400 -0.115 0.000 2.015 604 K HA -0.298 4.020 4.320 -0.003 0.000 0.216 604 K C 2.193 178.576 176.600 -0.363 0.000 1.052 604 K CA 2.127 58.289 56.287 -0.208 0.000 0.937 604 K CB -0.798 31.667 32.500 -0.058 0.000 0.719 604 K HN 0.152 nan 8.250 nan 0.000 0.446 605 R N 1.147 121.455 120.500 -0.320 0.000 2.103 605 R HA -0.228 4.110 4.340 -0.003 0.000 0.242 605 R C 2.333 178.194 176.300 -0.731 0.000 1.142 605 R CA 1.972 57.788 56.100 -0.473 0.000 0.960 605 R CB -0.127 29.986 30.300 -0.312 0.000 0.858 605 R HN 0.028 nan 8.270 nan 0.000 0.439 606 R N 0.504 120.634 120.500 -0.616 0.000 2.057 606 R HA -0.081 4.257 4.340 -0.003 0.000 0.229 606 R C 2.162 177.991 176.300 -0.785 0.000 1.136 606 R CA 1.435 57.140 56.100 -0.658 0.000 0.952 606 R CB -0.811 29.112 30.300 -0.627 0.000 0.848 606 R HN 0.296 nan 8.270 nan 0.000 0.430 607 I N 1.217 121.123 120.570 -1.105 0.000 2.335 607 I HA -0.242 3.926 4.170 -0.003 0.000 0.251 607 I C 1.854 177.750 176.117 -0.369 0.000 1.129 607 I CA 1.620 62.463 61.300 -0.762 0.000 1.402 607 I CB -0.359 37.264 38.000 -0.627 0.000 1.069 607 I HN 0.365 nan 8.210 nan 0.000 0.424 608 Q N -0.723 118.860 119.800 -0.362 0.000 2.016 608 Q HA -0.218 4.120 4.340 -0.003 0.000 0.200 608 Q C 2.192 178.152 176.000 -0.066 0.000 0.978 608 Q CA 2.075 57.767 55.803 -0.184 0.000 0.833 608 Q CB -0.288 28.315 28.738 -0.225 0.000 0.895 608 Q HN 0.658 nan 8.270 nan 0.000 0.427 609 H N -0.515 118.425 119.070 -0.217 0.000 2.353 609 H HA -0.193 4.361 4.556 -0.003 0.000 0.298 609 H C 2.099 177.321 175.328 -0.178 0.000 1.103 609 H CA 1.432 57.344 56.048 -0.226 0.000 1.293 609 H CB -0.026 29.548 29.762 -0.313 0.000 1.372 609 H HN 0.229 nan 8.280 nan 0.000 0.501 610 M N -0.007 119.516 119.600 -0.128 0.000 2.159 610 M HA -0.174 4.304 4.480 -0.003 0.000 0.263 610 M C 2.328 178.581 176.300 -0.080 0.000 1.063 610 M CA 1.472 56.661 55.300 -0.186 0.000 1.110 610 M CB -0.007 32.426 32.600 -0.277 0.000 1.374 610 M HN 0.190 nan 8.290 nan 0.000 0.411 611 R N -0.905 119.567 120.500 -0.048 0.000 2.073 611 R HA -0.150 4.188 4.340 -0.003 0.000 0.234 611 R C 1.952 178.238 176.300 -0.023 0.000 1.134 611 R CA 1.681 57.757 56.100 -0.040 0.000 0.952 611 R CB -0.708 29.540 30.300 -0.086 0.000 0.850 611 R HN 0.467 nan 8.270 nan 0.000 0.433 612 H N -1.451 117.627 119.070 0.014 0.000 2.489 612 H HA -0.088 4.466 4.556 -0.003 0.000 0.293 612 H C 1.792 177.178 175.328 0.097 0.000 1.066 612 H CA 1.523 57.592 56.048 0.034 0.000 1.305 612 H CB -0.036 29.648 29.762 -0.130 0.000 1.386 612 H HN 0.386 nan 8.280 nan 0.000 0.551 613 H N -0.783 118.300 119.070 0.022 0.000 2.266 613 H HA -0.088 4.466 4.556 -0.003 0.000 0.308 613 H C 1.930 177.287 175.328 0.048 0.000 1.057 613 H CA 1.528 57.537 56.048 -0.064 0.000 1.330 613 H CB 0.311 29.828 29.762 -0.408 0.000 1.400 613 H HN 0.188 nan 8.280 nan 0.000 0.503 614 T N -0.486 114.162 114.554 0.157 0.000 2.653 614 T HA -0.241 4.107 4.350 -0.003 0.000 0.268 614 T C 2.096 176.921 174.700 0.209 0.000 1.035 614 T CA 1.243 63.451 62.100 0.179 0.000 1.154 614 T CB -1.012 67.920 68.868 0.107 0.000 0.862 614 T HN 0.629 nan 8.240 nan 0.000 0.441 615 G N 1.024 109.936 108.800 0.187 0.000 2.440 615 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.218 615 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.218 615 G C 1.711 176.724 174.900 0.189 0.000 1.154 615 G CA 1.516 46.717 45.100 0.167 0.000 0.767 615 G HN 0.489 nan 8.290 nan 0.000 0.552 616 T N 0.075 114.861 114.554 0.387 0.000 2.788 616 T HA -0.091 4.257 4.350 -0.003 0.000 0.268 616 T C 1.985 176.851 174.700 0.277 0.000 1.044 616 T CA 1.248 63.573 62.100 0.375 0.000 1.139 616 T CB -0.369 68.750 68.868 0.418 0.000 0.867 616 T HN 0.516 nan 8.240 nan 0.000 0.454 617 H N -0.078 119.106 119.070 0.189 0.000 2.395 617 H HA 0.040 4.595 4.556 -0.003 0.000 0.299 617 H C 2.409 177.846 175.328 0.181 0.000 1.070 617 H CA 0.938 57.076 56.048 0.150 0.000 1.356 617 H CB -0.040 29.816 29.762 0.157 0.000 1.401 617 H HN 0.182 nan 8.280 nan 0.000 0.524 618 V N 1.167 121.262 119.914 0.302 0.000 2.490 618 V HA -0.219 3.899 4.120 -0.003 0.000 0.250 618 V C 2.467 178.763 176.094 0.337 0.000 1.061 618 V CA 1.195 63.669 62.300 0.291 0.000 1.064 618 V CB -0.441 31.403 31.823 0.035 0.000 0.670 618 V HN 0.191 nan 8.190 nan 0.000 0.461 619 L N -0.949 120.328 121.223 0.090 0.000 2.044 619 L HA -0.071 4.267 4.340 -0.003 0.000 0.205 619 L C 2.313 179.177 176.870 -0.010 0.000 1.075 619 L CA 1.870 56.685 54.840 -0.042 0.000 0.747 619 L CB -0.500 41.377 42.059 -0.304 0.000 0.903 619 L HN 0.259 nan 8.230 nan 0.000 0.435 620 M N -0.075 119.510 119.600 -0.024 0.000 2.089 620 M HA -0.181 4.298 4.480 -0.003 0.000 0.257 620 M C 2.061 178.256 176.300 -0.174 0.000 1.071 620 M CA 2.128 57.365 55.300 -0.106 0.000 1.096 620 M CB -1.377 31.133 32.600 -0.150 0.000 1.330 620 M HN 0.315 nan 8.290 nan 0.000 0.403 621 G N -1.226 107.479 108.800 -0.159 0.000 2.459 621 G HA2 -0.132 3.826 3.960 -0.003 0.000 0.217 621 G HA3 -0.132 3.826 3.960 -0.003 0.000 0.217 621 G C 1.560 176.094 174.900 -0.609 0.000 1.183 621 G CA 1.359 46.060 45.100 -0.665 0.000 0.776 621 G HN 0.701 nan 8.290 nan 0.000 0.552 622 A N 0.565 123.343 122.820 -0.069 0.000 1.877 622 A HA 0.046 4.365 4.320 -0.003 0.000 0.216 622 A C 2.478 180.007 177.584 -0.092 0.000 1.186 622 A CA 1.468 53.535 52.037 0.050 0.000 0.620 622 A CB -0.498 18.645 19.000 0.239 0.000 0.822 622 A HN 0.361 nan 8.150 nan 0.000 0.443 623 L N -0.596 120.559 121.223 -0.113 0.000 1.990 623 L HA -0.236 4.102 4.340 -0.003 0.000 0.213 623 L C 2.549 179.313 176.870 -0.176 0.000 1.072 623 L CA 1.630 56.382 54.840 -0.147 0.000 0.755 623 L CB -0.751 41.214 42.059 -0.157 0.000 0.889 623 L HN 0.254 nan 8.230 nan 0.000 0.432 624 V N -0.393 119.396 119.914 -0.208 0.000 2.392 624 V HA -0.312 3.806 4.120 -0.003 0.000 0.249 624 V C 2.601 178.605 176.094 -0.151 0.000 1.059 624 V CA 1.843 64.029 62.300 -0.189 0.000 1.051 624 V CB -0.655 31.031 31.823 -0.229 0.000 0.658 624 V HN 0.399 nan 8.190 nan 0.000 0.455 625 R N -0.813 119.569 120.500 -0.197 0.000 2.115 625 R HA -0.063 4.275 4.340 -0.003 0.000 0.226 625 R C 1.975 178.240 176.300 -0.058 0.000 1.100 625 R CA 1.269 57.282 56.100 -0.144 0.000 0.980 625 R CB -0.181 29.995 30.300 -0.207 0.000 0.875 625 R HN 0.491 nan 8.270 nan 0.000 0.445 626 V N 0.578 120.460 119.914 -0.053 0.000 2.339 626 V HA -0.102 4.017 4.120 -0.003 0.000 0.234 626 V C 2.178 178.270 176.094 -0.003 0.000 1.053 626 V CA 0.954 63.243 62.300 -0.018 0.000 1.042 626 V CB -0.747 31.063 31.823 -0.022 0.000 0.678 626 V HN 0.158 nan 8.190 nan 0.000 0.475 627 L N 0.664 121.854 121.223 -0.054 0.000 2.137 627 L HA 0.080 4.418 4.340 -0.003 0.000 0.213 627 L C 1.354 178.320 176.870 0.161 0.000 1.085 627 L CA 1.573 56.391 54.840 -0.037 0.000 0.760 627 L CB -1.243 40.617 42.059 -0.331 0.000 0.893 627 L HN 0.725 nan 8.230 nan 0.000 0.434 628 G N -1.177 107.670 108.800 0.079 0.000 2.396 628 G HA2 -0.183 3.776 3.960 -0.003 0.000 0.254 628 G HA3 -0.183 3.776 3.960 -0.003 0.000 0.254 628 G C 0.189 175.172 174.900 0.139 0.000 1.248 628 G CA -0.060 45.141 45.100 0.169 0.000 1.033 628 G HN -0.005 nan 8.290 nan 0.000 0.502 629 R N -0.121 120.531 120.500 0.252 0.000 2.127 629 R HA 0.005 4.344 4.340 -0.003 0.000 0.217 629 R C 2.348 178.812 176.300 0.272 0.000 1.074 629 R CA 1.240 57.465 56.100 0.208 0.000 0.991 629 R CB -0.343 30.081 30.300 0.206 0.000 0.895 629 R HN 0.782 nan 8.270 nan 0.000 0.450 630 H N -0.257 118.941 119.070 0.215 0.000 2.541 630 H HA -0.006 4.548 4.556 -0.003 0.000 0.289 630 H C 0.245 175.751 175.328 0.297 0.000 1.054 630 H CA 0.412 56.610 56.048 0.249 0.000 1.250 630 H CB -0.798 29.114 29.762 0.251 0.000 1.369 630 H HN -0.129 nan 8.280 nan 0.000 0.578 631 V N 1.945 121.742 119.914 -0.195 0.000 2.508 631 V HA 0.052 4.171 4.120 -0.003 0.000 0.281 631 V C -0.159 176.005 176.094 0.117 0.000 1.041 631 V CA -0.043 62.156 62.300 -0.168 0.000 1.016 631 V CB 0.746 32.391 31.823 -0.296 0.000 0.984 631 V HN 0.423 nan 8.190 nan 0.000 0.478 632 W N 4.473 125.727 121.300 -0.075 0.000 3.274 632 W HA 0.293 4.951 4.660 -0.003 0.000 0.327 632 W C -0.326 176.184 176.519 -0.014 0.000 1.172 632 W CA -0.853 56.480 57.345 -0.021 0.000 1.217 632 W CB 1.951 31.424 29.460 0.021 0.000 1.376 632 W HN 0.595 nan 8.180 nan 0.000 0.507 633 Q N 2.517 122.321 119.800 0.007 0.000 2.269 633 Q HA 0.169 4.507 4.340 -0.003 0.000 0.300 633 Q C 0.432 176.557 176.000 0.209 0.000 1.070 633 Q CA 1.261 57.104 55.803 0.067 0.000 0.957 633 Q CB 1.163 29.887 28.738 -0.025 0.000 1.131 633 Q HN 0.511 nan 8.270 nan 0.000 0.377 634 A N 3.488 126.394 122.820 0.144 0.000 2.288 634 A HA 0.474 4.793 4.320 -0.003 0.000 0.216 634 A C 0.428 178.067 177.584 0.093 0.000 1.199 634 A CA 0.662 52.777 52.037 0.129 0.000 0.891 634 A CB 0.646 19.711 19.000 0.108 0.000 0.923 634 A HN 0.822 nan 8.150 nan 0.000 0.500 635 G N -1.455 107.392 108.800 0.078 0.000 2.442 635 G HA2 0.485 4.443 3.960 -0.003 0.000 0.296 635 G HA3 0.485 4.443 3.960 -0.003 0.000 0.296 635 G C -1.196 173.735 174.900 0.052 0.000 1.564 635 G CA 0.387 45.523 45.100 0.060 0.000 0.828 635 G HN 0.991 nan 8.290 nan 0.000 0.571 636 S N -0.286 115.436 115.700 0.036 0.000 2.566 636 S HA 0.708 5.176 4.470 -0.003 0.000 0.273 636 S C -1.488 173.105 174.600 -0.013 0.000 1.157 636 S CA -0.489 57.723 58.200 0.020 0.000 0.938 636 S CB 2.231 65.431 63.200 0.000 0.000 1.087 636 S HN 0.898 nan 8.310 nan 0.000 0.474 637 Q N 3.333 123.128 119.800 -0.008 0.000 2.271 637 Q HA 0.632 4.971 4.340 -0.003 0.000 0.268 637 Q C -1.509 174.397 176.000 -0.157 0.000 1.021 637 Q CA -0.735 55.032 55.803 -0.060 0.000 0.802 637 Q CB 1.589 30.359 28.738 0.052 0.000 1.282 637 Q HN 0.796 nan 8.270 nan 0.000 0.431 638 L N 0.834 121.849 121.223 -0.346 0.000 2.370 638 L HA 0.899 5.237 4.340 -0.003 0.000 0.266 638 L C -0.285 176.141 176.870 -0.740 0.000 1.002 638 L CA -0.621 53.897 54.840 -0.536 0.000 0.818 638 L CB 0.816 42.631 42.059 -0.407 0.000 1.325 638 L HN 0.736 nan 8.230 nan 0.000 0.418 639 T N -2.618 111.316 114.554 -1.033 0.000 2.804 639 T HA 0.416 4.764 4.350 -0.003 0.000 0.272 639 T C 1.132 175.429 174.700 -0.671 0.000 0.986 639 T CA 0.350 61.924 62.100 -0.876 0.000 0.999 639 T CB 0.992 69.103 68.868 -1.261 0.000 1.307 639 T HN 0.818 nan 8.240 nan 0.000 0.586 640 T N -2.274 112.010 114.554 -0.450 0.000 3.113 640 T HA 0.054 4.402 4.350 -0.003 0.000 0.263 640 T C 0.539 174.988 174.700 -0.418 0.000 1.143 640 T CA 0.817 62.680 62.100 -0.395 0.000 1.090 640 T CB -0.348 68.317 68.868 -0.339 0.000 0.922 640 T HN 0.539 nan 8.240 nan 0.000 0.521 641 D N -0.097 119.934 120.400 -0.615 0.000 2.995 641 D HA 0.211 4.849 4.640 -0.003 0.000 0.289 641 D C 0.790 176.981 176.300 -0.180 0.000 1.116 641 D CA 0.322 54.151 54.000 -0.285 0.000 0.994 641 D CB 0.280 40.991 40.800 -0.148 0.000 1.209 641 D HN 0.632 nan 8.370 nan 0.000 0.458 642 W N 0.654 121.734 121.300 -0.367 0.000 2.967 642 W HA 0.791 5.449 4.660 -0.003 0.000 0.342 642 W C -1.184 175.031 176.519 -0.507 0.000 1.162 642 W CA -1.378 55.794 57.345 -0.288 0.000 1.085 642 W CB 0.913 30.264 29.460 -0.183 0.000 1.460 642 W HN -0.075 nan 8.180 nan 0.000 0.584 643 A N 1.706 124.467 122.820 -0.099 0.000 2.572 643 A HA 0.859 5.177 4.320 -0.003 0.000 0.295 643 A C -1.190 176.333 177.584 -0.102 0.000 1.072 643 A CA -1.175 50.708 52.037 -0.257 0.000 0.691 643 A CB 2.027 20.728 19.000 -0.497 0.000 1.291 643 A HN 0.738 nan 8.150 nan 0.000 0.404 644 R N 0.087 120.645 120.500 0.097 0.000 2.744 644 R HA 0.843 5.181 4.340 -0.003 0.000 0.279 644 R C -1.720 174.679 176.300 0.165 0.000 0.977 644 R CA -0.745 55.443 56.100 0.147 0.000 0.906 644 R CB 1.607 31.994 30.300 0.144 0.000 1.197 644 R HN 0.648 nan 8.270 nan 0.000 0.463 645 L N 2.389 123.737 121.223 0.207 0.000 2.442 645 L HA 0.415 4.753 4.340 -0.003 0.000 0.261 645 L C -1.665 175.271 176.870 0.109 0.000 1.000 645 L CA -0.618 54.321 54.840 0.165 0.000 0.882 645 L CB 1.317 43.508 42.059 0.221 0.000 1.207 645 L HN 0.690 nan 8.230 nan 0.000 0.443 646 D N 5.470 125.920 120.400 0.083 0.000 2.383 646 D HA 0.402 5.041 4.640 -0.003 0.000 0.252 646 D C 0.369 176.709 176.300 0.067 0.000 1.166 646 D CA 0.486 54.528 54.000 0.069 0.000 0.879 646 D CB 0.789 41.627 40.800 0.064 0.000 1.164 646 D HN 0.598 nan 8.370 nan 0.000 0.462 647 I N -2.077 118.530 120.570 0.061 0.000 3.023 647 I HA 0.562 4.730 4.170 -0.003 0.000 0.312 647 I C -0.210 175.968 176.117 0.102 0.000 1.056 647 I CA -1.263 60.075 61.300 0.063 0.000 1.033 647 I CB 2.036 40.036 38.000 0.000 0.000 1.233 647 I HN 0.201 nan 8.210 nan 0.000 0.462 648 S N 1.416 117.196 115.700 0.134 0.000 2.410 648 S HA 0.533 5.002 4.470 -0.003 0.000 0.304 648 S C -0.693 174.052 174.600 0.241 0.000 1.095 648 S CA -0.235 58.069 58.200 0.174 0.000 1.089 648 S CB -0.153 63.153 63.200 0.177 0.000 0.968 648 S HN 0.848 nan 8.310 nan 0.000 0.480 649 H N 2.092 121.235 119.070 0.121 0.000 2.980 649 H HA 0.464 5.019 4.556 -0.003 0.000 0.367 649 H C -0.072 175.349 175.328 0.154 0.000 1.206 649 H CA -1.039 55.095 56.048 0.144 0.000 1.126 649 H CB 0.990 30.748 29.762 -0.006 0.000 1.838 649 H HN 0.595 nan 8.280 nan 0.000 0.552 650 Y N 1.380 121.519 120.300 -0.269 0.000 2.239 650 Y HA 0.288 4.836 4.550 -0.003 0.000 0.293 650 Y C 0.999 176.763 175.900 -0.227 0.000 1.126 650 Y CA -0.021 57.960 58.100 -0.199 0.000 1.128 650 Y CB -0.492 37.872 38.460 -0.160 0.000 1.066 650 Y HN 0.411 nan 8.280 nan 0.000 0.516 651 K N 1.521 121.543 120.400 -0.630 0.000 2.386 651 K HA 0.297 4.615 4.320 -0.003 0.000 0.249 651 K C -0.165 176.306 176.600 -0.215 0.000 1.055 651 K CA -0.769 55.338 56.287 -0.300 0.000 0.930 651 K CB 0.497 32.852 32.500 -0.243 0.000 1.230 651 K HN -0.010 nan 8.250 nan 0.000 0.507 652 R N 0.489 120.951 120.500 -0.063 0.000 2.459 652 R HA 0.274 4.612 4.340 -0.003 0.000 0.281 652 R C -0.003 176.338 176.300 0.069 0.000 1.050 652 R CA -0.551 55.560 56.100 0.020 0.000 1.055 652 R CB 0.422 30.733 30.300 0.019 0.000 1.045 652 R HN 0.577 nan 8.270 nan 0.000 0.495 653 I N 2.336 122.967 120.570 0.102 0.000 2.406 653 I HA -0.037 4.132 4.170 -0.003 0.000 0.293 653 I C 1.215 177.355 176.117 0.039 0.000 1.101 653 I CA 0.083 61.426 61.300 0.071 0.000 1.334 653 I CB 0.437 38.452 38.000 0.026 0.000 1.421 653 I HN 0.564 nan 8.210 nan 0.000 0.513 654 S N 5.142 120.864 115.700 0.036 0.000 2.580 654 S HA 0.072 4.541 4.470 -0.003 0.000 0.266 654 S C 1.046 175.659 174.600 0.020 0.000 1.354 654 S CA -0.476 57.740 58.200 0.026 0.000 1.008 654 S CB 1.017 64.233 63.200 0.027 0.000 0.898 654 S HN 0.569 nan 8.310 nan 0.000 0.555 655 E N 0.816 121.027 120.200 0.018 0.000 2.274 655 E HA -0.094 4.254 4.350 -0.003 0.000 0.194 655 E C 1.759 178.368 176.600 0.015 0.000 0.996 655 E CA 0.965 57.374 56.400 0.016 0.000 0.840 655 E CB -0.348 29.361 29.700 0.015 0.000 0.772 655 E HN 0.927 nan 8.360 nan 0.000 0.491 656 E N 1.104 121.314 120.200 0.016 0.000 2.106 656 E HA -0.164 4.184 4.350 -0.003 0.000 0.192 656 E C 1.709 178.318 176.600 0.015 0.000 0.984 656 E CA 0.890 57.300 56.400 0.016 0.000 0.806 656 E CB 0.209 29.920 29.700 0.018 0.000 0.750 656 E HN 0.258 nan 8.360 nan 0.000 0.458 657 E N 0.146 120.355 120.200 0.015 0.000 2.028 657 E HA -0.175 4.173 4.350 -0.003 0.000 0.190 657 E C 2.110 178.710 176.600 0.002 0.000 0.984 657 E CA 0.753 57.158 56.400 0.009 0.000 0.800 657 E CB -0.110 29.594 29.700 0.007 0.000 0.758 657 E HN 0.148 nan 8.360 nan 0.000 0.448 658 L N 1.601 122.826 121.223 0.003 0.000 2.103 658 L HA -0.292 4.046 4.340 -0.003 0.000 0.215 658 L C 1.985 178.857 176.870 0.004 0.000 1.080 658 L CA 1.783 56.624 54.840 0.002 0.000 0.764 658 L CB -0.136 41.930 42.059 0.011 0.000 0.890 658 L HN -0.012 nan 8.230 nan 0.000 0.435 659 K N -0.784 119.621 120.400 0.009 0.000 2.062 659 K HA -0.176 4.143 4.320 -0.003 0.000 0.205 659 K C 2.071 178.677 176.600 0.009 0.000 1.051 659 K CA 1.455 57.748 56.287 0.010 0.000 0.941 659 K CB -0.190 32.318 32.500 0.012 0.000 0.719 659 K HN 0.503 nan 8.250 nan 0.000 0.440 660 E N 0.852 121.059 120.200 0.011 0.000 2.077 660 E HA -0.154 4.194 4.350 -0.003 0.000 0.193 660 E C 2.093 178.704 176.600 0.019 0.000 0.989 660 E CA 0.796 57.206 56.400 0.016 0.000 0.800 660 E CB -0.013 29.698 29.700 0.018 0.000 0.746 660 E HN 0.200 nan 8.360 nan 0.000 0.452 661 I N 1.021 121.594 120.570 0.006 0.000 2.099 661 I HA -0.294 3.875 4.170 -0.003 0.000 0.239 661 I C 2.728 178.846 176.117 0.001 0.000 1.066 661 I CA 1.568 62.869 61.300 0.001 0.000 1.324 661 I CB -0.453 37.530 38.000 -0.028 0.000 1.037 661 I HN 0.200 nan 8.210 nan 0.000 0.401 662 E N 0.907 121.100 120.200 -0.012 0.000 2.160 662 E HA -0.295 4.053 4.350 -0.003 0.000 0.195 662 E C 2.295 178.888 176.600 -0.011 0.000 0.991 662 E CA 1.429 57.817 56.400 -0.021 0.000 0.810 662 E CB -0.067 29.628 29.700 -0.008 0.000 0.742 662 E HN 0.441 nan 8.360 nan 0.000 0.466 663 M N 0.096 119.697 119.600 0.002 0.000 2.156 663 M HA -0.128 4.350 4.480 -0.003 0.000 0.264 663 M C 2.162 178.463 176.300 0.002 0.000 1.067 663 M CA 0.917 56.218 55.300 0.002 0.000 1.131 663 M CB 0.058 32.664 32.600 0.010 0.000 1.368 663 M HN 0.238 nan 8.290 nan 0.000 0.416 664 L N 0.738 121.979 121.223 0.030 0.000 2.027 664 L HA -0.048 4.290 4.340 -0.003 0.000 0.206 664 L C 2.598 179.470 176.870 0.004 0.000 1.074 664 L CA 2.047 56.924 54.840 0.062 0.000 0.745 664 L CB -0.906 41.252 42.059 0.165 0.000 0.898 664 L HN 0.351 nan 8.230 nan 0.000 0.433 665 A N -0.214 122.621 122.820 0.025 0.000 1.881 665 A HA -0.322 3.997 4.320 -0.003 0.000 0.219 665 A C 2.141 179.653 177.584 -0.120 0.000 1.215 665 A CA 2.404 54.412 52.037 -0.047 0.000 0.648 665 A CB -1.021 17.948 19.000 -0.053 0.000 0.832 665 A HN 0.624 nan 8.150 nan 0.000 0.455 666 N N -0.877 117.775 118.700 -0.080 0.000 2.223 666 N HA -0.157 4.581 4.740 -0.003 0.000 0.185 666 N C 1.889 177.342 175.510 -0.094 0.000 1.016 666 N CA 1.239 54.243 53.050 -0.076 0.000 0.863 666 N CB -0.458 38.003 38.487 -0.044 0.000 0.983 666 N HN 0.618 nan 8.380 nan 0.000 0.429 667 R N 0.764 121.205 120.500 -0.098 0.000 2.105 667 R HA -0.091 4.247 4.340 -0.003 0.000 0.239 667 R C 1.609 177.799 176.300 -0.183 0.000 1.135 667 R CA 1.046 57.079 56.100 -0.111 0.000 0.967 667 R CB -0.094 30.157 30.300 -0.081 0.000 0.861 667 R HN 0.043 nan 8.270 nan 0.000 0.442 668 I N 0.241 120.631 120.570 -0.299 0.000 2.353 668 I HA -0.169 4.000 4.170 -0.003 0.000 0.248 668 I C 2.256 178.204 176.117 -0.282 0.000 1.119 668 I CA 0.696 61.739 61.300 -0.429 0.000 1.417 668 I CB -0.326 37.147 38.000 -0.879 0.000 1.078 668 I HN -0.075 nan 8.210 nan 0.000 0.421 669 V N 0.298 120.087 119.914 -0.208 0.000 2.407 669 V HA -0.294 3.824 4.120 -0.003 0.000 0.248 669 V C 2.492 178.527 176.094 -0.099 0.000 1.055 669 V CA 1.696 63.918 62.300 -0.130 0.000 1.049 669 V CB -0.701 31.067 31.823 -0.091 0.000 0.662 669 V HN 0.459 nan 8.190 nan 0.000 0.455 670 M N 0.142 119.683 119.600 -0.098 0.000 2.117 670 M HA -0.190 4.288 4.480 -0.003 0.000 0.262 670 M C 2.064 178.318 176.300 -0.078 0.000 1.065 670 M CA 1.909 57.164 55.300 -0.074 0.000 1.114 670 M CB -0.566 31.994 32.600 -0.066 0.000 1.361 670 M HN 0.411 nan 8.290 nan 0.000 0.408 671 E N -0.045 120.090 120.200 -0.108 0.000 2.418 671 E HA -0.165 4.183 4.350 -0.003 0.000 0.197 671 E C -0.044 176.502 176.600 -0.091 0.000 1.026 671 E CA 0.457 56.795 56.400 -0.103 0.000 0.862 671 E CB -0.033 29.585 29.700 -0.137 0.000 0.799 671 E HN 0.459 nan 8.360 nan 0.000 0.518 672 D N 0.896 121.241 120.400 -0.092 0.000 2.723 672 D HA -0.182 4.456 4.640 -0.003 0.000 0.236 672 D C -0.776 175.484 176.300 -0.066 0.000 1.138 672 D CA 0.526 54.486 54.000 -0.066 0.000 0.676 672 D CB -0.755 40.019 40.800 -0.043 0.000 1.069 672 D HN 0.135 nan 8.370 nan 0.000 0.430 673 R N 0.552 120.997 120.500 -0.093 0.000 2.594 673 R HA 0.176 4.514 4.340 -0.003 0.000 0.272 673 R C 0.810 177.075 176.300 -0.059 0.000 1.074 673 R CA -0.399 55.653 56.100 -0.081 0.000 1.105 673 R CB 0.483 30.717 30.300 -0.110 0.000 1.008 673 R HN -0.036 nan 8.270 nan 0.000 0.472 674 K N 1.683 122.050 120.400 -0.054 0.000 2.401 674 K HA 0.108 4.426 4.320 -0.003 0.000 0.278 674 K C -0.381 176.179 176.600 -0.066 0.000 1.018 674 K CA -0.063 56.186 56.287 -0.064 0.000 0.981 674 K CB 0.705 33.158 32.500 -0.079 0.000 0.933 674 K HN 0.274 nan 8.250 nan 0.000 0.477 675 V N 3.470 123.342 119.914 -0.069 0.000 2.334 675 V HA 0.320 4.438 4.120 -0.003 0.000 0.281 675 V C 0.131 176.097 176.094 -0.213 0.000 1.016 675 V CA -0.746 61.524 62.300 -0.049 0.000 0.832 675 V CB 1.251 33.120 31.823 0.076 0.000 0.999 675 V HN 0.913 nan 8.190 nan 0.000 0.439 676 T N 1.387 115.795 114.554 -0.243 0.000 2.876 676 T HA 0.798 5.146 4.350 -0.003 0.000 0.289 676 T C -1.148 173.390 174.700 -0.270 0.000 1.014 676 T CA -0.715 61.090 62.100 -0.491 0.000 0.986 676 T CB 1.814 70.481 68.868 -0.335 0.000 1.021 676 T HN 0.700 nan 8.240 nan 0.000 0.458 677 W N 1.462 122.672 121.300 -0.150 0.000 2.936 677 W HA 0.818 5.476 4.660 -0.003 0.000 0.338 677 W C -0.808 175.600 176.519 -0.186 0.000 1.121 677 W CA -1.045 56.169 57.345 -0.218 0.000 1.209 677 W CB 1.053 30.350 29.460 -0.271 0.000 1.420 677 W HN 1.085 nan 8.180 nan 0.000 0.516 678 E N 0.876 121.058 120.200 -0.030 0.000 2.378 678 E HA 0.320 4.668 4.350 -0.003 0.000 0.283 678 E C -1.813 174.720 176.600 -0.112 0.000 0.979 678 E CA -0.995 55.386 56.400 -0.031 0.000 0.795 678 E CB 0.943 30.650 29.700 0.012 0.000 1.221 678 E HN 0.502 nan 8.360 nan 0.000 0.428 679 W N 2.656 123.965 121.300 0.015 0.000 2.253 679 W HA 0.452 5.110 4.660 -0.003 0.000 0.322 679 W C -0.170 176.349 176.519 -0.001 0.000 1.342 679 W CA -0.114 57.226 57.345 -0.009 0.000 1.218 679 W CB 0.592 30.039 29.460 -0.021 0.000 1.205 679 W HN 0.340 nan 8.180 nan 0.000 0.551 680 L N 5.681 127.027 121.223 0.206 0.000 2.422 680 L HA 0.458 4.797 4.340 -0.003 0.000 0.264 680 L C -2.090 174.847 176.870 0.111 0.000 0.984 680 L CA -2.461 52.454 54.840 0.125 0.000 0.819 680 L CB 2.737 44.840 42.059 0.074 0.000 1.330 680 L HN 0.091 nan 8.230 nan 0.000 0.410 681 P HA 0.041 nan 4.420 nan 0.000 0.268 681 P C 0.184 177.505 177.300 0.034 0.000 1.204 681 P CA -0.093 63.037 63.100 0.050 0.000 0.768 681 P CB 0.943 32.658 31.700 0.026 0.000 0.842 682 R N 2.543 123.063 120.500 0.033 0.000 2.162 682 R HA -0.214 4.124 4.340 -0.003 0.000 0.245 682 R C 1.620 177.939 176.300 0.031 0.000 1.129 682 R CA 2.903 59.023 56.100 0.033 0.000 0.940 682 R CB -1.080 29.230 30.300 0.017 0.000 0.875 682 R HN 0.440 nan 8.270 nan 0.000 0.437 683 T N -0.290 114.286 114.554 0.036 0.000 2.746 683 T HA -0.100 4.249 4.350 -0.003 0.000 0.267 683 T C 1.735 176.416 174.700 -0.031 0.000 1.039 683 T CA 1.826 63.939 62.100 0.022 0.000 1.142 683 T CB -0.356 68.539 68.868 0.044 0.000 0.866 683 T HN 0.480 nan 8.240 nan 0.000 0.444 684 T N 2.143 116.678 114.554 -0.032 0.000 2.746 684 T HA -0.007 4.341 4.350 -0.003 0.000 0.267 684 T C 2.426 177.056 174.700 -0.118 0.000 1.039 684 T CA 1.054 63.114 62.100 -0.068 0.000 1.142 684 T CB -0.600 68.239 68.868 -0.048 0.000 0.866 684 T HN 0.434 nan 8.240 nan 0.000 0.444 685 A N 2.178 124.955 122.820 -0.072 0.000 1.841 685 A HA -0.195 4.123 4.320 -0.003 0.000 0.216 685 A C 2.218 179.735 177.584 -0.112 0.000 1.199 685 A CA 1.880 53.887 52.037 -0.050 0.000 0.621 685 A CB -0.843 18.157 19.000 -0.001 0.000 0.835 685 A HN 0.582 nan 8.150 nan 0.000 0.445 686 E N -0.384 119.721 120.200 -0.158 0.000 2.219 686 E HA -0.231 4.118 4.350 -0.003 0.000 0.198 686 E C 2.288 178.691 176.600 -0.328 0.000 0.998 686 E CA 1.349 57.568 56.400 -0.302 0.000 0.818 686 E CB -0.119 29.378 29.700 -0.339 0.000 0.741 686 E HN 0.608 nan 8.360 nan 0.000 0.477 687 Q N 0.699 120.356 119.800 -0.237 0.000 1.994 687 Q HA -0.079 4.259 4.340 -0.003 0.000 0.198 687 Q C 2.074 177.924 176.000 -0.251 0.000 0.976 687 Q CA 0.930 56.605 55.803 -0.212 0.000 0.828 687 Q CB -0.316 28.335 28.738 -0.145 0.000 0.894 687 Q HN 0.167 nan 8.270 nan 0.000 0.432 688 K N -0.174 120.011 120.400 -0.358 0.000 2.152 688 K HA -0.146 4.173 4.320 -0.003 0.000 0.206 688 K C 0.874 177.110 176.600 -0.608 0.000 1.048 688 K CA 1.211 57.147 56.287 -0.586 0.000 0.933 688 K CB 0.188 32.130 32.500 -0.930 0.000 0.721 688 K HN 0.225 nan 8.250 nan 0.000 0.447 689 Y N -1.284 118.932 120.300 -0.140 0.000 2.563 689 Y HA 0.254 4.802 4.550 -0.003 0.000 0.250 689 Y C 0.730 176.532 175.900 -0.162 0.000 1.126 689 Y CA 0.029 58.046 58.100 -0.139 0.000 1.231 689 Y CB 0.796 39.168 38.460 -0.146 0.000 1.288 689 Y HN 0.156 nan 8.280 nan 0.000 0.537 690 G N 0.534 109.262 108.800 -0.120 0.000 2.804 690 G HA2 -0.312 3.646 3.960 -0.003 0.000 0.230 690 G HA3 -0.312 3.646 3.960 -0.003 0.000 0.230 690 G C 0.155 174.929 174.900 -0.211 0.000 1.386 690 G CA -0.084 44.884 45.100 -0.220 0.000 0.875 690 G HN 0.114 nan 8.290 nan 0.000 0.557 691 F N 0.762 120.807 119.950 0.158 0.000 2.699 691 F HA 0.096 4.621 4.527 -0.003 0.000 0.298 691 F C 2.841 178.840 175.800 0.333 0.000 1.154 691 F CA 1.136 59.326 58.000 0.316 0.000 1.457 691 F CB -0.113 39.187 39.000 0.501 0.000 1.106 691 F HN 0.350 nan 8.300 nan 0.000 0.585 692 R N 0.344 120.998 120.500 0.258 0.000 2.154 692 R HA -0.204 4.134 4.340 -0.003 0.000 0.248 692 R C 2.107 178.280 176.300 -0.211 0.000 1.155 692 R CA 1.245 57.278 56.100 -0.111 0.000 0.979 692 R CB -0.917 29.293 30.300 -0.151 0.000 0.869 692 R HN 0.385 nan 8.270 nan 0.000 0.452 693 L N -0.417 120.701 121.223 -0.174 0.000 2.129 693 L HA -0.201 4.137 4.340 -0.003 0.000 0.212 693 L C 0.862 177.624 176.870 -0.180 0.000 1.087 693 L CA 1.302 55.977 54.840 -0.275 0.000 0.757 693 L CB -0.419 41.391 42.059 -0.415 0.000 0.896 693 L HN 0.227 nan 8.230 nan 0.000 0.434 694 Y N 0.190 120.601 120.300 0.184 0.000 2.830 694 Y HA 0.040 4.589 4.550 -0.002 0.000 0.371 694 Y C 1.551 177.618 175.900 0.279 0.000 1.246 694 Y CA -0.890 57.377 58.100 0.278 0.000 1.890 694 Y CB -0.044 38.688 38.460 0.454 0.000 1.995 694 Y HN 0.184 nan 8.280 nan 0.000 0.430 695 Q N 1.248 121.109 119.800 0.103 0.000 1.775 695 Q HA 0.055 4.393 4.340 -0.003 0.000 0.303 695 Q C 1.237 177.314 176.000 0.128 0.000 0.954 695 Q CA 0.584 56.304 55.803 -0.138 0.000 0.883 695 Q CB -0.704 27.846 28.738 -0.314 0.000 0.916 695 Q HN 0.637 nan 8.270 nan 0.000 0.427 696 G N 0.263 109.105 108.800 0.070 0.000 2.396 696 G HA2 0.429 4.387 3.960 -0.003 0.000 0.292 696 G HA3 0.429 4.387 3.960 -0.003 0.000 0.292 696 G C 0.189 175.187 174.900 0.162 0.000 1.106 696 G CA 0.565 45.737 45.100 0.119 0.000 1.055 696 G HN 0.533 nan 8.290 nan 0.000 0.424 697 G N -0.129 108.784 108.800 0.187 0.000 2.757 697 G HA2 0.114 4.073 3.960 -0.003 0.000 0.638 697 G HA3 0.114 4.073 3.960 -0.003 0.000 0.638 697 G C -0.688 174.344 174.900 0.219 0.000 1.344 697 G CA -0.315 44.891 45.100 0.175 0.000 0.855 697 G HN 1.498 nan 8.290 nan 0.000 0.537 698 V N 0.702 120.723 119.914 0.178 0.000 2.462 698 V HA 0.534 4.653 4.120 -0.003 0.000 0.288 698 V C 0.786 176.982 176.094 0.170 0.000 1.020 698 V CA -0.151 62.240 62.300 0.151 0.000 0.857 698 V CB 1.077 32.944 31.823 0.073 0.000 1.013 698 V HN 1.669 nan 8.190 nan 0.000 0.431 699 V N 4.148 124.154 119.914 0.153 0.000 2.637 699 V HA 0.523 4.641 4.120 -0.003 0.000 0.296 699 V C -1.567 174.476 176.094 -0.085 0.000 1.046 699 V CA -1.082 61.274 62.300 0.094 0.000 1.066 699 V CB 0.469 32.362 31.823 0.117 0.000 0.968 699 V HN 0.696 nan 8.190 nan 0.000 0.483 700 P HA 0.680 nan 4.420 nan 0.000 0.278 700 P C 0.204 177.447 177.300 -0.096 0.000 1.266 700 P CA 0.615 63.661 63.100 -0.090 0.000 0.807 700 P CB 1.232 33.061 31.700 0.216 0.000 1.094 701 G N 0.233 108.987 108.800 -0.077 0.000 2.629 701 G HA2 -0.151 3.807 3.960 -0.003 0.000 0.686 701 G HA3 -0.151 3.807 3.960 -0.003 0.000 0.686 701 G C 0.621 175.509 174.900 -0.020 0.000 1.232 701 G CA -0.526 44.579 45.100 0.009 0.000 0.803 701 G HN 0.482 nan 8.290 nan 0.000 0.638 702 R N 0.202 120.715 120.500 0.022 0.000 2.120 702 R HA 0.007 4.345 4.340 -0.003 0.000 0.234 702 R C 0.973 177.294 176.300 0.034 0.000 1.123 702 R CA 1.422 57.534 56.100 0.020 0.000 0.975 702 R CB 0.141 30.447 30.300 0.009 0.000 0.866 702 R HN 0.668 nan 8.270 nan 0.000 0.446 703 E N 0.735 120.979 120.200 0.073 0.000 2.244 703 E HA 0.416 4.764 4.350 -0.003 0.000 0.266 703 E C -0.764 176.028 176.600 0.319 0.000 0.914 703 E CA -0.661 55.848 56.400 0.182 0.000 0.794 703 E CB 2.204 32.024 29.700 0.200 0.000 1.210 703 E HN 0.068 nan 8.360 nan 0.000 0.414 704 I N -1.456 119.281 120.570 0.278 0.000 2.740 704 I HA 0.578 4.747 4.170 -0.003 0.000 0.303 704 I C -0.583 175.449 176.117 -0.141 0.000 1.044 704 I CA -1.135 60.241 61.300 0.127 0.000 1.064 704 I CB 2.061 40.079 38.000 0.030 0.000 1.249 704 I HN 0.293 nan 8.210 nan 0.000 0.433 705 R N 4.032 124.206 120.500 -0.544 0.000 2.198 705 R HA 0.604 4.942 4.340 -0.003 0.000 0.339 705 R C -1.632 174.403 176.300 -0.441 0.000 1.020 705 R CA -0.453 55.101 56.100 -0.910 0.000 0.864 705 R CB 1.224 30.752 30.300 -1.287 0.000 1.105 705 R HN 0.685 nan 8.270 nan 0.000 0.463 706 V N 6.225 125.945 119.914 -0.323 0.000 2.328 706 V HA 0.235 4.353 4.120 -0.003 0.000 0.278 706 V C -0.164 175.822 176.094 -0.181 0.000 1.021 706 V CA -0.734 61.437 62.300 -0.215 0.000 0.838 706 V CB 1.511 33.249 31.823 -0.142 0.000 0.999 706 V HN 0.500 nan 8.190 nan 0.000 0.447 707 V N 5.728 125.529 119.914 -0.189 0.000 2.465 707 V HA 0.486 4.605 4.120 -0.003 0.000 0.279 707 V C 0.099 176.082 176.094 -0.185 0.000 1.045 707 V CA -0.457 61.736 62.300 -0.179 0.000 0.938 707 V CB 1.444 32.998 31.823 -0.449 0.000 0.986 707 V HN 0.900 nan 8.190 nan 0.000 0.467 708 K N 4.818 125.127 120.400 -0.152 0.000 2.422 708 K HA 0.692 5.010 4.320 -0.003 0.000 0.251 708 K C -1.643 174.915 176.600 -0.071 0.000 0.933 708 K CA -0.787 55.412 56.287 -0.147 0.000 0.798 708 K CB 2.081 34.450 32.500 -0.217 0.000 1.238 708 K HN 0.578 nan 8.250 nan 0.000 0.428 709 I N 2.714 123.285 120.570 0.001 0.000 2.354 709 I HA 0.162 4.331 4.170 -0.003 0.000 0.292 709 I C 0.186 176.350 176.117 0.077 0.000 0.989 709 I CA -0.706 60.622 61.300 0.047 0.000 1.188 709 I CB 1.728 39.804 38.000 0.126 0.000 1.342 709 I HN 0.667 nan 8.210 nan 0.000 0.457 710 E N 6.214 126.431 120.200 0.028 0.000 2.694 710 E HA -0.131 4.218 4.350 -0.003 0.000 0.250 710 E C -0.507 176.154 176.600 0.103 0.000 0.963 710 E CA 0.504 56.925 56.400 0.035 0.000 0.949 710 E CB 0.166 29.866 29.700 0.001 0.000 0.911 710 E HN 0.497 nan 8.360 nan 0.000 0.500 711 D N 3.176 123.636 120.400 0.101 0.000 2.686 711 D HA -0.245 4.393 4.640 -0.003 0.000 0.235 711 D C -0.260 176.201 176.300 0.268 0.000 1.160 711 D CA 0.877 54.958 54.000 0.135 0.000 0.645 711 D CB -0.834 40.037 40.800 0.118 0.000 1.039 711 D HN 0.676 nan 8.370 nan 0.000 0.423 712 W N -0.360 120.914 121.300 -0.043 0.000 5.384 712 W HA 0.054 4.712 4.660 -0.003 0.000 0.169 712 W C -0.518 175.964 176.519 -0.062 0.000 2.358 712 W CA 0.121 57.440 57.345 -0.044 0.000 2.043 712 W CB 0.645 30.082 29.460 -0.038 0.000 0.884 712 W HN -0.044 nan 8.180 nan 0.000 1.055 713 D N 0.744 121.202 120.400 0.096 0.000 2.645 713 D HA 0.484 5.123 4.640 -0.003 0.000 0.228 713 D C -1.682 174.569 176.300 -0.081 0.000 1.148 713 D CA -0.268 53.698 54.000 -0.057 0.000 0.860 713 D CB 2.998 43.838 40.800 0.068 0.000 1.548 713 D HN -0.151 nan 8.370 nan 0.000 0.460 714 V N 2.199 122.001 119.914 -0.186 0.000 3.012 714 V HA 0.696 4.814 4.120 -0.003 0.000 0.307 714 V C -1.979 173.950 176.094 -0.275 0.000 1.166 714 V CA -0.194 61.926 62.300 -0.300 0.000 0.974 714 V CB 1.899 33.382 31.823 -0.567 0.000 1.040 714 V HN 0.718 nan 8.190 nan 0.000 0.428 715 Q N 3.595 123.248 119.800 -0.245 0.000 2.507 715 Q HA 0.627 4.965 4.340 -0.003 0.000 0.248 715 Q C -1.097 174.826 176.000 -0.128 0.000 0.941 715 Q CA -0.135 55.564 55.803 -0.175 0.000 1.003 715 Q CB 1.900 30.566 28.738 -0.121 0.000 1.517 715 Q HN 1.304 nan 8.270 nan 0.000 0.443 716 A N 2.352 125.099 122.820 -0.122 0.000 2.457 716 A HA 0.499 4.817 4.320 -0.003 0.000 0.298 716 A C -0.459 177.130 177.584 0.009 0.000 1.288 716 A CA -0.027 51.961 52.037 -0.083 0.000 0.956 716 A CB -0.405 18.558 19.000 -0.063 0.000 1.135 716 A HN 0.657 nan 8.150 nan 0.000 0.535 717 C N 2.086 121.385 119.300 -0.002 0.000 2.686 717 C HA 0.752 5.211 4.460 -0.003 0.000 0.318 717 C C 1.020 176.041 174.990 0.050 0.000 1.160 717 C CA 0.247 59.337 59.018 0.120 0.000 1.396 717 C CB 1.142 29.063 27.740 0.302 0.000 1.924 717 C HN 1.036 nan 8.230 nan 0.000 0.471 718 G N 3.003 111.899 108.800 0.161 0.000 3.393 718 G HA2 0.483 4.441 3.960 -0.003 0.000 0.255 718 G HA3 0.483 4.441 3.960 -0.003 0.000 0.255 718 G C 0.576 175.735 174.900 0.432 0.000 1.097 718 G CA 0.564 45.803 45.100 0.232 0.000 0.780 718 G HN 1.229 nan 8.290 nan 0.000 0.540 719 G N 0.236 109.202 108.800 0.276 0.000 2.547 719 G HA2 0.447 4.406 3.960 -0.003 0.000 0.291 719 G HA3 0.447 4.406 3.960 -0.003 0.000 0.291 719 G C 0.272 174.981 174.900 -0.319 0.000 1.211 719 G CA -0.011 45.115 45.100 0.043 0.000 0.950 719 G HN 0.305 nan 8.290 nan 0.000 0.504 720 T N -1.391 112.769 114.554 -0.657 0.000 2.794 720 T HA 0.462 4.810 4.350 -0.003 0.000 0.296 720 T C -0.057 174.164 174.700 -0.799 0.000 0.949 720 T CA -0.408 61.338 62.100 -0.590 0.000 1.101 720 T CB 0.894 69.451 68.868 -0.518 0.000 0.905 720 T HN 0.533 nan 8.240 nan 0.000 0.516 721 H N 1.517 120.169 119.070 -0.698 0.000 3.117 721 H HA 0.641 5.195 4.556 -0.003 0.000 0.288 721 H C -0.327 174.823 175.328 -0.297 0.000 1.604 721 H CA -0.909 54.824 56.048 -0.526 0.000 1.488 721 H CB 1.400 30.856 29.762 -0.509 0.000 1.813 721 H HN 0.413 nan 8.280 nan 0.000 0.817 722 L N 0.476 121.769 121.223 0.117 0.000 2.341 722 L HA 0.244 4.583 4.340 -0.003 0.000 0.267 722 L C -1.726 175.364 176.870 0.366 0.000 1.009 722 L CA -1.901 53.056 54.840 0.194 0.000 0.819 722 L CB 2.542 44.680 42.059 0.132 0.000 1.323 722 L HN 0.323 nan 8.230 nan 0.000 0.425 723 P HA -0.067 nan 4.420 nan 0.000 0.222 723 P C -0.118 177.235 177.300 0.088 0.000 1.147 723 P CA 0.809 64.038 63.100 0.215 0.000 0.790 723 P CB 0.359 32.197 31.700 0.230 0.000 0.780 724 S N -2.807 112.958 115.700 0.108 0.000 2.548 724 S HA 0.261 4.729 4.470 -0.003 0.000 0.278 724 S C 0.936 175.560 174.600 0.040 0.000 1.150 724 S CA -0.240 57.987 58.200 0.046 0.000 0.907 724 S CB 0.443 63.666 63.200 0.039 0.000 1.108 724 S HN 0.062 nan 8.310 nan 0.000 0.459 725 T N 1.573 116.124 114.554 -0.005 0.000 2.915 725 T HA 0.065 4.413 4.350 -0.003 0.000 0.269 725 T C 2.117 176.806 174.700 -0.020 0.000 1.071 725 T CA 1.492 63.578 62.100 -0.024 0.000 1.132 725 T CB -1.005 67.810 68.868 -0.089 0.000 0.878 725 T HN 0.897 nan 8.240 nan 0.000 0.479 726 G N 2.331 111.120 108.800 -0.018 0.000 2.545 726 G HA2 -0.204 3.755 3.960 -0.003 0.000 0.222 726 G HA3 -0.204 3.755 3.960 -0.003 0.000 0.222 726 G C 1.378 176.284 174.900 0.009 0.000 1.126 726 G CA 1.190 46.283 45.100 -0.012 0.000 0.754 726 G HN 0.599 nan 8.290 nan 0.000 0.583 727 L N 0.487 121.732 121.223 0.037 0.000 2.552 727 L HA 0.056 4.394 4.340 -0.003 0.000 0.227 727 L C 2.639 179.535 176.870 0.044 0.000 1.146 727 L CA -0.266 54.611 54.840 0.062 0.000 0.858 727 L CB -0.123 42.011 42.059 0.124 0.000 0.969 727 L HN 0.062 nan 8.230 nan 0.000 0.451 728 V N 0.053 119.979 119.914 0.019 0.000 2.358 728 V HA 0.050 4.168 4.120 -0.003 0.000 0.246 728 V C 1.386 177.471 176.094 -0.015 0.000 1.047 728 V CA 1.210 63.509 62.300 -0.002 0.000 1.035 728 V CB -1.231 30.587 31.823 -0.007 0.000 0.658 728 V HN 0.649 nan 8.190 nan 0.000 0.452 729 G N -0.191 108.603 108.800 -0.010 0.000 2.756 729 G HA2 -0.116 3.842 3.960 -0.003 0.000 0.678 729 G HA3 -0.116 3.842 3.960 -0.003 0.000 0.678 729 G C -2.880 172.012 174.900 -0.013 0.000 1.349 729 G CA -0.700 44.395 45.100 -0.009 0.000 0.847 729 G HN 0.322 nan 8.290 nan 0.000 0.548 730 P HA 0.375 nan 4.420 nan 0.000 0.268 730 P C 0.069 177.376 177.300 0.011 0.000 1.208 730 P CA 0.073 63.172 63.100 -0.002 0.000 0.777 730 P CB 0.400 32.104 31.700 0.007 0.000 0.875 731 I N 2.416 122.992 120.570 0.011 0.000 2.382 731 I HA 0.249 4.417 4.170 -0.003 0.000 0.286 731 I C 0.544 176.697 176.117 0.061 0.000 1.002 731 I CA -0.622 60.705 61.300 0.045 0.000 1.135 731 I CB 1.174 39.158 38.000 -0.026 0.000 1.288 731 I HN 0.035 nan 8.210 nan 0.000 0.448 732 K N 7.875 128.346 120.400 0.118 0.000 2.281 732 K HA 0.482 4.800 4.320 -0.003 0.000 0.272 732 K C -0.532 176.171 176.600 0.171 0.000 1.048 732 K CA -0.612 55.741 56.287 0.110 0.000 0.898 732 K CB 1.032 33.593 32.500 0.101 0.000 1.128 732 K HN 0.578 nan 8.250 nan 0.000 0.460 733 I N 6.839 127.483 120.570 0.124 0.000 2.436 733 I HA -0.076 4.092 4.170 -0.003 0.000 0.289 733 I C 1.660 177.849 176.117 0.120 0.000 1.083 733 I CA -0.052 61.339 61.300 0.152 0.000 1.372 733 I CB 0.673 38.721 38.000 0.080 0.000 1.408 733 I HN 0.506 nan 8.210 nan 0.000 0.516 734 L N 6.223 127.526 121.223 0.134 0.000 2.034 734 L HA 0.088 4.426 4.340 -0.003 0.000 0.203 734 L C 1.069 177.965 176.870 0.044 0.000 1.074 734 L CA 0.949 55.832 54.840 0.072 0.000 0.748 734 L CB -0.351 41.737 42.059 0.048 0.000 0.905 734 L HN 0.673 nan 8.230 nan 0.000 0.439 735 R N -0.839 119.688 120.500 0.045 0.000 2.664 735 R HA 0.322 4.661 4.340 -0.003 0.000 0.266 735 R C -1.285 175.033 176.300 0.031 0.000 1.046 735 R CA -0.514 55.600 56.100 0.023 0.000 0.885 735 R CB 1.808 32.104 30.300 -0.007 0.000 1.254 735 R HN -0.137 nan 8.270 nan 0.000 0.465 736 T N 0.320 114.888 114.554 0.024 0.000 2.945 736 T HA 0.585 4.934 4.350 -0.003 0.000 0.286 736 T C -1.252 173.456 174.700 0.014 0.000 1.025 736 T CA -0.298 61.818 62.100 0.026 0.000 1.039 736 T CB 1.076 69.960 68.868 0.028 0.000 1.068 736 T HN 0.715 nan 8.240 nan 0.000 0.497 737 E N 1.737 121.946 120.200 0.016 0.000 2.388 737 E HA 0.323 4.671 4.350 -0.003 0.000 0.280 737 E C -1.270 175.340 176.600 0.017 0.000 1.019 737 E CA -1.126 55.279 56.400 0.008 0.000 0.806 737 E CB 1.221 30.916 29.700 -0.010 0.000 1.246 737 E HN 0.503 nan 8.360 nan 0.000 0.443 738 R N 2.601 123.111 120.500 0.015 0.000 2.204 738 R HA 0.205 4.544 4.340 -0.003 0.000 0.341 738 R C 0.276 176.587 176.300 0.017 0.000 1.035 738 R CA -0.416 55.698 56.100 0.023 0.000 0.887 738 R CB 0.436 30.749 30.300 0.022 0.000 1.114 738 R HN 0.618 nan 8.270 nan 0.000 0.473 739 I N 2.775 123.358 120.570 0.023 0.000 2.233 739 I HA -0.181 3.987 4.170 -0.003 0.000 0.243 739 I C 0.908 177.036 176.117 0.019 0.000 1.093 739 I CA 1.464 62.775 61.300 0.018 0.000 1.380 739 I CB -0.605 37.409 38.000 0.024 0.000 1.067 739 I HN 0.694 nan 8.210 nan 0.000 0.413 740 Q N -1.146 118.670 119.800 0.027 0.000 2.841 740 Q HA 0.268 4.606 4.340 -0.003 0.000 0.309 740 Q C -1.529 174.492 176.000 0.034 0.000 0.868 740 Q CA -0.915 54.904 55.803 0.026 0.000 0.760 740 Q CB 0.536 29.289 28.738 0.025 0.000 1.454 740 Q HN -0.123 nan 8.270 nan 0.000 0.449 741 D N 0.459 120.879 120.400 0.032 0.000 2.487 741 D HA 0.352 4.990 4.640 -0.003 0.000 0.243 741 D C 1.097 177.430 176.300 0.054 0.000 1.154 741 D CA 2.290 56.314 54.000 0.039 0.000 0.876 741 D CB 0.499 41.317 40.800 0.030 0.000 1.161 741 D HN 0.907 nan 8.370 nan 0.000 0.478 742 G N 1.201 110.043 108.800 0.071 0.000 2.205 742 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.261 742 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.261 742 G C 0.179 175.146 174.900 0.112 0.000 0.980 742 G CA 0.170 45.331 45.100 0.101 0.000 0.632 742 G HN 0.538 nan 8.290 nan 0.000 0.533 743 V N 2.043 122.010 119.914 0.088 0.000 2.349 743 V HA 0.566 4.685 4.120 -0.003 0.000 0.284 743 V C -0.457 175.683 176.094 0.077 0.000 1.014 743 V CA -1.068 61.284 62.300 0.087 0.000 0.826 743 V CB 1.610 33.474 31.823 0.068 0.000 1.009 743 V HN 0.298 nan 8.190 nan 0.000 0.431 744 E N 3.619 123.875 120.200 0.092 0.000 2.232 744 E HA 0.602 4.951 4.350 -0.003 0.000 0.265 744 E C -0.444 176.192 176.600 0.060 0.000 1.001 744 E CA -0.896 55.549 56.400 0.076 0.000 0.870 744 E CB 2.354 32.116 29.700 0.104 0.000 1.175 744 E HN 0.543 nan 8.360 nan 0.000 0.407 745 R N 1.351 121.880 120.500 0.049 0.000 2.502 745 R HA 0.441 4.780 4.340 -0.003 0.000 0.300 745 R C -1.207 175.128 176.300 0.057 0.000 0.984 745 R CA -0.592 55.538 56.100 0.050 0.000 0.882 745 R CB 0.595 30.915 30.300 0.033 0.000 1.180 745 R HN 0.373 nan 8.270 nan 0.000 0.444 746 I N 6.059 126.683 120.570 0.090 0.000 2.339 746 I HA 0.364 4.532 4.170 -0.003 0.000 0.290 746 I C -0.092 176.157 176.117 0.220 0.000 0.994 746 I CA -0.307 61.071 61.300 0.130 0.000 1.191 746 I CB 1.641 39.714 38.000 0.121 0.000 1.343 746 I HN 0.448 nan 8.210 nan 0.000 0.458 747 I N 6.947 127.626 120.570 0.181 0.000 2.460 747 I HA 0.647 4.815 4.170 -0.003 0.000 0.298 747 I C -0.555 175.737 176.117 0.292 0.000 0.989 747 I CA -0.710 60.686 61.300 0.159 0.000 1.173 747 I CB 1.361 39.351 38.000 -0.016 0.000 1.338 747 I HN 0.566 nan 8.210 nan 0.000 0.456 748 F N 3.248 123.287 119.950 0.148 0.000 2.858 748 F HA 0.885 5.410 4.527 -0.003 0.000 0.319 748 F C -1.604 174.343 175.800 0.245 0.000 1.166 748 F CA -1.014 57.074 58.000 0.147 0.000 0.899 748 F CB 1.381 40.442 39.000 0.102 0.000 1.332 748 F HN 0.474 nan 8.300 nan 0.000 0.461 749 A N 0.717 123.728 122.820 0.317 0.000 2.459 749 A HA 0.768 5.087 4.320 -0.003 0.000 0.296 749 A C -1.258 176.423 177.584 0.161 0.000 1.039 749 A CA -0.659 51.531 52.037 0.256 0.000 0.698 749 A CB 0.807 19.973 19.000 0.275 0.000 1.261 749 A HN 1.120 nan 8.150 nan 0.000 0.405 750 C N 0.323 119.536 119.300 -0.146 0.000 2.604 750 C HA 1.036 5.494 4.460 -0.003 0.000 0.416 750 C C 1.195 176.123 174.990 -0.104 0.000 1.566 750 C CA 0.456 59.403 59.018 -0.119 0.000 1.812 750 C CB 0.775 28.398 27.740 -0.195 0.000 2.028 750 C HN 2.494 nan 8.230 nan 0.000 0.489 751 G N 0.653 109.416 108.800 -0.062 0.000 2.757 751 G HA2 0.010 3.969 3.960 -0.003 0.000 0.638 751 G HA3 0.010 3.969 3.960 -0.003 0.000 0.638 751 G C -0.652 174.250 174.900 0.002 0.000 1.344 751 G CA -0.593 44.491 45.100 -0.027 0.000 0.855 751 G HN 0.755 nan 8.290 nan 0.000 0.537 752 E N 0.000 120.206 120.200 0.011 0.000 2.725 752 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 752 E CA 0.000 56.410 56.400 0.016 0.000 0.976 752 E CB 0.000 29.711 29.700 0.019 0.000 0.812 752 E HN 0.000 nan 8.360 nan 0.000 0.440