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 3hi7_1_A DATA FIRST_RESID 27 DATA SEQUENCE PRKAGVFSDL SNQELKAVHS FLWSKKELRL QPSSTTTMAK NTVFLIEMLL DATA SEQUENCE PKKYHVLRFL DKGERHPVRE ARAVIFFGDQ EHPNVTEFAV GPLPGPCYMR DATA SEQUENCE ALSPRPGYQS SWASRPISTA EYALLYHTLQ EATKPLHQFF LNTTGFSFQD DATA SEQUENCE cHDRcLAFTD VAPRGVASGQ RRSWLIIQRY VEGYFLHPTG LELLVDHGST DATA SEQUENCE DAGHWAVEQV WYNGKFYGSP EELARKYADG EVDVVVLEDP LXXXXXXXXX DATA SEQUENCE XEPPLFSSHK PRGDFPSPIH VSGPRLVQPH GPRFRLEGNA VLYGGWSFAF DATA SEQUENCE RLRSSSGLQV LNVHFGGERI AYEVSVQEAV ALYGGHTPAG MQTKYLDVGW DATA SEQUENCE GLGSVTHELA PGIDcPETAT FLDTFHYYDA DDPVHYPRAL cLFEMPTGVP DATA SEQUENCE LRRHFNSNFK GGFNFYAGLK GQVLVLRTTS TVYNXDYIWD FIFYPNGVME DATA SEQUENCE AKMHATGYVH ATFYTPEGLR HGTRLHTHLI GNIHTHLVHY RVDLDVAGTK DATA SEQUENCE NSFQTLQMKL ENITNPWSPR HRVVQPTLEQ TQYSWERQAA FRFKRKLPKY DATA SEQUENCE LLFTSPQENP WGHKRSYRLQ IHSMADQVLP PGWQEEQAIT WARYPLAVTK DATA SEQUENCE YRESELCSSS IYHQNDPWDP PVVFEQFLHN NENIENEDLV AWVTVGFLHI DATA SEQUENCE PHSEDIPNTA TPGNSVGFLL RPFNFFPEDP SLASRDTVIV WPRDNGPNYV DATA SEQUENCE QRWIPEDRDC SMPPPFSYNG TYRPV 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 27 P HA 0.000 nan 4.420 nan 0.000 0.216 27 P C 0.000 177.313 177.300 0.021 0.000 1.155 27 P CA 0.000 63.097 63.100 -0.006 0.000 0.800 27 P CB 0.000 31.696 31.700 -0.007 0.000 0.726 28 R N 1.584 122.105 120.500 0.035 0.000 2.105 28 R HA -0.042 4.300 4.340 0.003 0.000 0.239 28 R C 1.983 178.368 176.300 0.140 0.000 1.135 28 R CA 2.257 58.401 56.100 0.073 0.000 0.967 28 R CB -1.359 28.986 30.300 0.075 0.000 0.861 28 R HN 0.393 nan 8.270 nan 0.000 0.442 29 K N -0.044 120.426 120.400 0.118 0.000 2.211 29 K HA 0.069 4.391 4.320 0.003 0.000 0.203 29 K C 2.495 179.207 176.600 0.185 0.000 1.050 29 K CA 0.938 57.328 56.287 0.171 0.000 0.945 29 K CB -0.154 32.281 32.500 -0.110 0.000 0.732 29 K HN 0.444 nan 8.250 nan 0.000 0.451 30 A N 1.311 124.215 122.820 0.140 0.000 2.076 30 A HA -0.097 4.225 4.320 0.003 0.000 0.220 30 A C 2.285 179.962 177.584 0.155 0.000 1.160 30 A CA 1.673 53.833 52.037 0.204 0.000 0.653 30 A CB -0.953 18.104 19.000 0.094 0.000 0.801 30 A HN 0.420 nan 8.150 nan 0.000 0.455 31 G N -0.683 108.184 108.800 0.111 0.000 2.462 31 G HA2 -0.165 3.797 3.960 0.003 0.000 0.220 31 G HA3 -0.165 3.797 3.960 0.003 0.000 0.220 31 G C 1.508 176.444 174.900 0.062 0.000 1.121 31 G CA 1.051 46.205 45.100 0.090 0.000 0.758 31 G HN 0.502 nan 8.290 nan 0.000 0.559 32 V N -0.151 119.732 119.914 -0.052 0.000 2.568 32 V HA -0.060 4.062 4.120 0.003 0.000 0.253 32 V C 2.071 177.964 176.094 -0.335 0.000 1.072 32 V CA 1.529 63.633 62.300 -0.326 0.000 1.084 32 V CB -0.407 31.004 31.823 -0.686 0.000 0.676 32 V HN 0.349 nan 8.190 nan 0.000 0.469 33 F N 0.727 120.690 119.950 0.022 0.000 2.727 33 F HA 0.299 4.828 4.527 0.003 0.000 0.302 33 F C 1.500 177.285 175.800 -0.025 0.000 1.097 33 F CA 0.271 58.267 58.000 -0.007 0.000 1.330 33 F CB -0.606 38.368 39.000 -0.042 0.000 1.084 33 F HN 0.205 nan 8.300 nan 0.000 0.578 34 S N 0.099 115.861 115.700 0.104 0.000 2.565 34 S HA 0.126 4.598 4.470 0.003 0.000 0.276 34 S C 0.004 174.633 174.600 0.049 0.000 1.326 34 S CA -1.067 57.154 58.200 0.035 0.000 1.045 34 S CB 0.690 63.890 63.200 -0.000 0.000 0.918 34 S HN 0.052 nan 8.310 nan 0.000 0.505 35 D N 1.671 122.099 120.400 0.047 0.000 2.390 35 D HA 0.120 4.762 4.640 0.003 0.000 0.236 35 D C 0.494 176.824 176.300 0.050 0.000 1.189 35 D CA 0.103 54.142 54.000 0.065 0.000 0.887 35 D CB 0.327 41.173 40.800 0.076 0.000 1.198 35 D HN 0.545 nan 8.370 nan 0.000 0.444 36 L N 1.071 122.328 121.223 0.056 0.000 2.456 36 L HA 0.034 4.376 4.340 0.003 0.000 0.272 36 L C 1.302 178.184 176.870 0.020 0.000 1.189 36 L CA -0.243 54.615 54.840 0.030 0.000 0.846 36 L CB 0.360 42.438 42.059 0.032 0.000 1.111 36 L HN 0.387 nan 8.230 nan 0.000 0.475 37 S N 1.219 116.904 115.700 -0.025 0.000 2.614 37 S HA 0.037 4.508 4.470 0.003 0.000 0.265 37 S C 0.907 175.381 174.600 -0.209 0.000 1.303 37 S CA -0.510 57.640 58.200 -0.083 0.000 1.000 37 S CB 1.034 64.182 63.200 -0.086 0.000 0.935 37 S HN 0.690 nan 8.310 nan 0.000 0.551 38 N N 1.449 119.835 118.700 -0.522 0.000 2.060 38 N HA -0.217 4.525 4.740 0.003 0.000 0.195 38 N C 2.449 177.756 175.510 -0.339 0.000 1.028 38 N CA 2.632 55.219 53.050 -0.772 0.000 0.861 38 N CB -1.251 36.394 38.487 -1.403 0.000 1.029 38 N HN 0.864 nan 8.380 nan 0.000 0.428 39 Q N 0.555 120.207 119.800 -0.247 0.000 2.096 39 Q HA -0.131 4.211 4.340 0.003 0.000 0.204 39 Q C 2.144 178.082 176.000 -0.103 0.000 0.982 39 Q CA 1.960 57.678 55.803 -0.142 0.000 0.850 39 Q CB -0.998 27.675 28.738 -0.109 0.000 0.901 39 Q HN 0.740 nan 8.270 nan 0.000 0.422 40 E N 0.036 120.176 120.200 -0.100 0.000 2.072 40 E HA -0.047 4.305 4.350 0.003 0.000 0.191 40 E C 2.197 178.758 176.600 -0.064 0.000 0.985 40 E CA 0.997 57.352 56.400 -0.074 0.000 0.801 40 E CB -0.131 29.532 29.700 -0.062 0.000 0.750 40 E HN 0.605 nan 8.360 nan 0.000 0.452 41 L N 1.008 122.190 121.223 -0.069 0.000 2.046 41 L HA -0.227 4.115 4.340 0.003 0.000 0.208 41 L C 2.391 179.222 176.870 -0.066 0.000 1.077 41 L CA 1.360 56.161 54.840 -0.066 0.000 0.747 41 L CB -0.303 41.739 42.059 -0.027 0.000 0.896 41 L HN 0.034 nan 8.230 nan 0.000 0.432 42 K N -0.141 120.229 120.400 -0.051 0.000 2.057 42 K HA -0.159 4.163 4.320 0.003 0.000 0.207 42 K C 2.224 178.834 176.600 0.018 0.000 1.049 42 K CA 1.376 57.659 56.287 -0.006 0.000 0.931 42 K CB -0.279 32.204 32.500 -0.028 0.000 0.714 42 K HN 0.305 nan 8.250 nan 0.000 0.440 43 A N 0.950 123.764 122.820 -0.009 0.000 1.898 43 A HA -0.111 4.211 4.320 0.003 0.000 0.216 43 A C 2.362 179.972 177.584 0.043 0.000 1.181 43 A CA 1.312 53.351 52.037 0.003 0.000 0.620 43 A CB -0.566 18.413 19.000 -0.036 0.000 0.819 43 A HN 0.067 nan 8.150 nan 0.000 0.442 44 V N -0.554 119.373 119.914 0.022 0.000 2.307 44 V HA -0.275 3.846 4.120 0.003 0.000 0.245 44 V C 2.435 178.626 176.094 0.162 0.000 1.045 44 V CA 2.150 64.486 62.300 0.061 0.000 1.024 44 V CB -0.996 30.829 31.823 0.004 0.000 0.651 44 V HN 0.782 nan 8.190 nan 0.000 0.449 45 H N -0.523 118.526 119.070 -0.035 0.000 2.352 45 H HA -0.186 4.372 4.556 0.003 0.000 0.299 45 H C 2.648 178.056 175.328 0.133 0.000 1.097 45 H CA 1.707 57.750 56.048 -0.009 0.000 1.311 45 H CB 0.190 29.857 29.762 -0.158 0.000 1.377 45 H HN 0.459 nan 8.280 nan 0.000 0.504 46 S N -0.076 115.673 115.700 0.080 0.000 2.356 46 S HA -0.205 4.267 4.470 0.003 0.000 0.223 46 S C 2.064 176.735 174.600 0.118 0.000 1.032 46 S CA 1.391 59.618 58.200 0.046 0.000 1.005 46 S CB -0.711 62.514 63.200 0.041 0.000 0.867 46 S HN 0.486 nan 8.310 nan 0.000 0.449 47 F N 2.039 121.994 119.950 0.009 0.000 2.095 47 F HA -0.042 4.487 4.527 0.003 0.000 0.298 47 F C 1.829 177.631 175.800 0.003 0.000 1.104 47 F CA 1.665 59.663 58.000 -0.004 0.000 1.232 47 F CB -0.468 38.511 39.000 -0.034 0.000 0.987 47 F HN 0.216 nan 8.300 nan 0.000 0.475 48 L N -1.469 119.766 121.223 0.020 0.000 2.017 48 L HA -0.228 4.114 4.340 0.003 0.000 0.208 48 L C 2.284 179.058 176.870 -0.160 0.000 1.073 48 L CA 1.484 56.254 54.840 -0.117 0.000 0.745 48 L CB -1.028 41.064 42.059 0.055 0.000 0.894 48 L HN 0.226 nan 8.230 nan 0.000 0.432 49 W N 0.356 121.517 121.300 -0.231 0.000 2.421 49 W HA -0.185 4.477 4.660 0.003 0.000 0.270 49 W C 3.011 179.424 176.519 -0.178 0.000 1.233 49 W CA 1.545 58.763 57.345 -0.212 0.000 1.226 49 W CB -0.525 28.775 29.460 -0.268 0.000 1.121 49 W HN 0.263 nan 8.180 nan 0.000 0.579 50 S N -0.218 115.463 115.700 -0.031 0.000 2.481 50 S HA -0.056 4.416 4.470 0.003 0.000 0.231 50 S C 0.882 175.382 174.600 -0.166 0.000 0.996 50 S CA 0.610 58.756 58.200 -0.089 0.000 0.942 50 S CB -0.271 62.864 63.200 -0.109 0.000 0.768 50 S HN -0.085 nan 8.310 nan 0.000 0.520 51 K N 1.910 122.159 120.400 -0.251 0.000 2.183 51 K HA 0.303 4.625 4.320 0.003 0.000 0.272 51 K C 0.063 176.555 176.600 -0.181 0.000 1.113 51 K CA -0.202 55.943 56.287 -0.237 0.000 0.949 51 K CB 1.153 33.471 32.500 -0.304 0.000 1.365 51 K HN 0.069 nan 8.250 nan 0.000 0.420 52 K N 1.566 121.888 120.400 -0.130 0.000 2.283 52 K HA -0.149 4.172 4.320 0.003 0.000 0.202 52 K C 1.663 178.203 176.600 -0.101 0.000 1.048 52 K CA 1.002 57.222 56.287 -0.112 0.000 0.948 52 K CB 0.165 32.623 32.500 -0.070 0.000 0.742 52 K HN 0.529 nan 8.250 nan 0.000 0.458 53 E N 0.817 120.965 120.200 -0.086 0.000 2.268 53 E HA -0.179 4.173 4.350 0.003 0.000 0.195 53 E C 1.468 178.046 176.600 -0.037 0.000 0.995 53 E CA 0.955 57.320 56.400 -0.058 0.000 0.836 53 E CB -0.408 29.261 29.700 -0.051 0.000 0.763 53 E HN 0.336 nan 8.360 nan 0.000 0.491 54 L N 0.134 121.323 121.223 -0.056 0.000 2.395 54 L HA 0.105 4.447 4.340 0.003 0.000 0.218 54 L C 0.798 177.653 176.870 -0.025 0.000 1.130 54 L CA 0.331 55.182 54.840 0.019 0.000 0.826 54 L CB -0.431 41.591 42.059 -0.062 0.000 0.941 54 L HN 0.001 nan 8.230 nan 0.000 0.451 55 R N 0.169 120.599 120.500 -0.116 0.000 3.416 55 R HA -0.164 4.178 4.340 0.003 0.000 0.263 55 R C -0.379 175.792 176.300 -0.216 0.000 1.053 55 R CA 0.149 56.171 56.100 -0.130 0.000 0.705 55 R CB -2.288 27.988 30.300 -0.039 0.000 1.124 55 R HN 0.288 nan 8.270 nan 0.000 0.444 56 L N 1.107 122.058 121.223 -0.453 0.000 2.416 56 L HA 0.099 4.441 4.340 0.003 0.000 0.272 56 L C 0.951 177.446 176.870 -0.625 0.000 1.161 56 L CA 0.603 55.069 54.840 -0.623 0.000 0.845 56 L CB 0.689 42.081 42.059 -1.112 0.000 1.119 56 L HN 0.225 nan 8.230 nan 0.000 0.464 57 Q N 3.449 123.145 119.800 -0.174 0.000 2.458 57 Q HA 0.488 4.830 4.340 0.003 0.000 0.282 57 Q C -2.457 173.776 176.000 0.388 0.000 1.106 57 Q CA -2.057 53.824 55.803 0.130 0.000 0.814 57 Q CB 2.142 30.951 28.738 0.118 0.000 1.425 57 Q HN 0.335 nan 8.270 nan 0.000 0.437 58 P HA 0.066 nan 4.420 nan 0.000 0.272 58 P C -0.117 177.339 177.300 0.259 0.000 1.223 58 P CA 0.114 63.449 63.100 0.391 0.000 0.784 58 P CB 0.713 32.576 31.700 0.271 0.000 0.923 59 S N 0.736 116.564 115.700 0.214 0.000 2.400 59 S HA -0.149 4.323 4.470 0.003 0.000 0.232 59 S C 1.749 176.435 174.600 0.143 0.000 1.025 59 S CA 1.851 60.141 58.200 0.149 0.000 0.993 59 S CB -0.893 62.336 63.200 0.048 0.000 0.808 59 S HN 0.686 nan 8.310 nan 0.000 0.478 60 S N 0.863 116.640 115.700 0.127 0.000 2.515 60 S HA 0.002 4.474 4.470 0.003 0.000 0.231 60 S C 0.751 175.422 174.600 0.118 0.000 0.987 60 S CA 0.161 58.429 58.200 0.115 0.000 0.936 60 S CB -0.764 62.490 63.200 0.090 0.000 0.766 60 S HN 0.322 nan 8.310 nan 0.000 0.528 61 T N 4.137 118.770 114.554 0.132 0.000 2.871 61 T HA 0.175 4.527 4.350 0.003 0.000 0.296 61 T C 0.634 175.399 174.700 0.108 0.000 0.998 61 T CA 0.620 62.789 62.100 0.115 0.000 1.162 61 T CB 0.570 69.514 68.868 0.126 0.000 0.947 61 T HN 0.538 nan 8.240 nan 0.000 0.536 62 T N 0.788 115.388 114.554 0.076 0.000 4.058 62 T HA 0.381 4.733 4.350 0.003 0.000 0.252 62 T C 0.264 174.980 174.700 0.027 0.000 1.264 62 T CA -0.764 61.373 62.100 0.062 0.000 1.094 62 T CB -0.357 68.532 68.868 0.036 0.000 1.316 62 T HN 0.568 nan 8.240 nan 0.000 0.872 63 T N 1.210 115.801 114.554 0.063 0.000 2.916 63 T HA 0.451 4.803 4.350 0.003 0.000 0.305 63 T C 0.901 175.683 174.700 0.137 0.000 1.119 63 T CA -0.914 61.213 62.100 0.046 0.000 1.008 63 T CB 1.214 70.095 68.868 0.023 0.000 1.129 63 T HN 0.119 nan 8.240 nan 0.000 0.480 64 M N 2.225 121.927 119.600 0.170 0.000 2.447 64 M HA 0.251 4.733 4.480 0.003 0.000 0.264 64 M C 1.514 178.001 176.300 0.312 0.000 1.095 64 M CA 0.478 55.974 55.300 0.327 0.000 1.125 64 M CB -1.056 31.811 32.600 0.446 0.000 1.389 64 M HN 0.711 nan 8.290 nan 0.000 0.459 65 A N 3.046 125.959 122.820 0.155 0.000 3.063 65 A HA 0.259 4.581 4.320 0.003 0.000 0.263 65 A C 0.362 177.993 177.584 0.078 0.000 1.736 65 A CA -0.209 51.871 52.037 0.073 0.000 1.408 65 A CB -0.932 18.072 19.000 0.007 0.000 1.108 65 A HN 0.502 nan 8.150 nan 0.000 0.621 66 K N -0.475 120.010 120.400 0.143 0.000 2.536 66 K HA 0.509 4.831 4.320 0.003 0.000 0.269 66 K C -1.561 175.148 176.600 0.181 0.000 0.965 66 K CA -1.067 55.302 56.287 0.137 0.000 0.860 66 K CB 1.019 33.608 32.500 0.149 0.000 1.423 66 K HN 0.074 nan 8.250 nan 0.000 0.438 67 N N 1.330 120.105 118.700 0.125 0.000 2.426 67 N HA 0.396 5.138 4.740 0.003 0.000 0.275 67 N C -1.188 174.354 175.510 0.054 0.000 1.019 67 N CA -0.236 52.870 53.050 0.094 0.000 0.941 67 N CB 1.763 40.295 38.487 0.074 0.000 1.123 67 N HN 0.768 nan 8.380 nan 0.000 0.486 68 T N -2.680 111.924 114.554 0.084 0.000 2.923 68 T HA 0.427 4.779 4.350 0.003 0.000 0.311 68 T C -0.684 174.072 174.700 0.094 0.000 1.183 68 T CA -0.826 61.349 62.100 0.124 0.000 1.020 68 T CB 0.760 69.740 68.868 0.188 0.000 1.165 68 T HN 0.008 nan 8.240 nan 0.000 0.482 69 V N 3.636 123.673 119.914 0.205 0.000 2.389 69 V HA 0.308 4.430 4.120 0.003 0.000 0.264 69 V C 0.639 176.868 176.094 0.226 0.000 1.049 69 V CA -0.404 62.039 62.300 0.238 0.000 0.932 69 V CB 0.064 32.101 31.823 0.356 0.000 1.011 69 V HN 0.918 nan 8.190 nan 0.000 0.475 70 F N 5.731 125.577 119.950 -0.174 0.000 2.317 70 F HA 0.390 4.919 4.527 0.003 0.000 0.293 70 F C 0.337 175.998 175.800 -0.231 0.000 1.085 70 F CA 0.592 58.310 58.000 -0.469 0.000 1.390 70 F CB 0.556 38.868 39.000 -1.147 0.000 1.077 70 F HN 0.387 nan 8.300 nan 0.000 0.517 71 L N 0.788 122.039 121.223 0.047 0.000 2.482 71 L HA 0.577 4.919 4.340 0.003 0.000 0.263 71 L C -1.707 175.310 176.870 0.246 0.000 0.957 71 L CA -0.693 54.214 54.840 0.111 0.000 0.836 71 L CB 1.993 44.121 42.059 0.115 0.000 1.324 71 L HN -0.037 nan 8.230 nan 0.000 0.406 72 I N 4.129 124.865 120.570 0.277 0.000 2.499 72 I HA 0.606 4.778 4.170 0.003 0.000 0.288 72 I C -0.966 175.253 176.117 0.171 0.000 1.048 72 I CA -0.307 61.078 61.300 0.142 0.000 1.062 72 I CB 2.040 39.996 38.000 -0.075 0.000 1.238 72 I HN 0.796 nan 8.210 nan 0.000 0.426 73 E N 6.250 126.540 120.200 0.151 0.000 2.430 73 E HA 0.410 4.762 4.350 0.003 0.000 0.279 73 E C -1.213 175.460 176.600 0.121 0.000 1.003 73 E CA -1.071 55.416 56.400 0.146 0.000 0.801 73 E CB 2.072 31.871 29.700 0.164 0.000 1.313 73 E HN 0.362 nan 8.360 nan 0.000 0.459 74 M N 2.295 121.960 119.600 0.109 0.000 2.248 74 M HA 0.168 4.650 4.480 0.003 0.000 0.345 74 M C -1.229 175.140 176.300 0.115 0.000 1.243 74 M CA -0.289 55.069 55.300 0.096 0.000 1.090 74 M CB 0.447 33.098 32.600 0.086 0.000 1.683 74 M HN 0.696 nan 8.290 nan 0.000 0.450 75 L N 7.082 128.373 121.223 0.114 0.000 2.276 75 L HA 0.387 4.729 4.340 0.003 0.000 0.286 75 L C -1.083 175.865 176.870 0.129 0.000 1.024 75 L CA -0.510 54.409 54.840 0.132 0.000 0.826 75 L CB 1.006 43.150 42.059 0.140 0.000 1.211 75 L HN 0.739 nan 8.230 nan 0.000 0.422 76 L N 8.167 129.480 121.223 0.149 0.000 2.490 76 L HA 0.386 4.728 4.340 0.003 0.000 0.274 76 L C -1.920 175.047 176.870 0.161 0.000 1.201 76 L CA -0.522 54.415 54.840 0.162 0.000 0.869 76 L CB -0.110 42.079 42.059 0.217 0.000 1.123 76 L HN 0.560 nan 8.230 nan 0.000 0.484 77 P HA 0.131 nan 4.420 nan 0.000 0.273 77 P C -1.189 176.239 177.300 0.213 0.000 1.250 77 P CA -0.475 62.711 63.100 0.143 0.000 0.793 77 P CB 0.324 32.066 31.700 0.071 0.000 1.011 78 K N 0.828 121.381 120.400 0.254 0.000 2.448 78 K HA -0.035 4.287 4.320 0.003 0.000 0.278 78 K C 1.385 178.123 176.600 0.229 0.000 1.009 78 K CA 0.104 56.553 56.287 0.271 0.000 0.995 78 K CB 0.319 33.004 32.500 0.309 0.000 0.917 78 K HN 0.383 nan 8.250 nan 0.000 0.481 79 K N 2.597 123.103 120.400 0.177 0.000 2.074 79 K HA -0.272 4.050 4.320 0.003 0.000 0.209 79 K C 1.801 178.350 176.600 -0.086 0.000 1.048 79 K CA 1.585 57.848 56.287 -0.040 0.000 0.926 79 K CB -0.161 32.097 32.500 -0.404 0.000 0.713 79 K HN 0.630 nan 8.250 nan 0.000 0.444 80 Y N 1.159 121.352 120.300 -0.177 0.000 2.114 80 Y HA -0.340 4.212 4.550 0.003 0.000 0.282 80 Y C 2.187 177.974 175.900 -0.187 0.000 1.165 80 Y CA 2.199 60.156 58.100 -0.238 0.000 1.148 80 Y CB -0.286 37.972 38.460 -0.337 0.000 0.972 80 Y HN 0.271 nan 8.280 nan 0.000 0.504 81 H N -1.371 117.722 119.070 0.039 0.000 2.363 81 H HA -0.082 4.476 4.556 0.003 0.000 0.301 81 H C 2.543 177.853 175.328 -0.031 0.000 1.074 81 H CA 1.665 57.699 56.048 -0.024 0.000 1.354 81 H CB -0.652 29.157 29.762 0.078 0.000 1.397 81 H HN 0.331 nan 8.280 nan 0.000 0.516 82 V N 1.513 121.507 119.914 0.133 0.000 2.287 82 V HA -0.235 3.887 4.120 0.003 0.000 0.248 82 V C 2.831 179.017 176.094 0.154 0.000 1.053 82 V CA 1.395 63.784 62.300 0.147 0.000 1.027 82 V CB -0.696 31.264 31.823 0.229 0.000 0.646 82 V HN 0.250 nan 8.190 nan 0.000 0.447 83 L N -0.728 120.516 121.223 0.035 0.000 2.093 83 L HA -0.143 4.199 4.340 0.003 0.000 0.208 83 L C 2.809 179.642 176.870 -0.062 0.000 1.085 83 L CA 1.489 56.321 54.840 -0.014 0.000 0.755 83 L CB -0.553 41.432 42.059 -0.124 0.000 0.904 83 L HN 0.251 nan 8.230 nan 0.000 0.435 84 R N -0.786 119.631 120.500 -0.137 0.000 2.096 84 R HA -0.188 4.154 4.340 0.003 0.000 0.235 84 R C 2.264 178.575 176.300 0.018 0.000 1.127 84 R CA 1.539 57.569 56.100 -0.117 0.000 0.968 84 R CB -0.419 29.758 30.300 -0.206 0.000 0.861 84 R HN 0.217 nan 8.270 nan 0.000 0.440 85 F N 1.603 121.503 119.950 -0.083 0.000 2.075 85 F HA -0.146 4.383 4.527 0.003 0.000 0.297 85 F C 1.818 177.588 175.800 -0.051 0.000 1.113 85 F CA 1.458 59.414 58.000 -0.073 0.000 1.218 85 F CB -0.402 38.517 39.000 -0.135 0.000 0.984 85 F HN -0.130 nan 8.300 nan 0.000 0.472 86 L N -0.254 120.826 121.223 -0.239 0.000 2.056 86 L HA -0.150 4.192 4.340 0.003 0.000 0.207 86 L C 1.731 178.496 176.870 -0.174 0.000 1.078 86 L CA 1.574 56.232 54.840 -0.304 0.000 0.749 86 L CB -0.631 41.414 42.059 -0.024 0.000 0.901 86 L HN 0.109 nan 8.230 nan 0.000 0.433 87 D N -1.233 119.117 120.400 -0.083 0.000 2.423 87 D HA 0.003 4.645 4.640 0.003 0.000 0.212 87 D C 1.448 177.717 176.300 -0.052 0.000 1.060 87 D CA 0.572 54.546 54.000 -0.044 0.000 0.872 87 D CB 0.356 41.149 40.800 -0.012 0.000 1.012 87 D HN 0.100 nan 8.370 nan 0.000 0.503 88 K N -0.199 120.166 120.400 -0.059 0.000 2.447 88 K HA 0.321 4.643 4.320 0.003 0.000 0.205 88 K C 0.935 177.518 176.600 -0.028 0.000 1.059 88 K CA 0.117 56.379 56.287 -0.041 0.000 1.065 88 K CB 1.594 34.068 32.500 -0.044 0.000 0.885 88 K HN 0.079 nan 8.250 nan 0.000 0.545 89 G N 1.973 110.747 108.800 -0.043 0.000 2.153 89 G HA2 -0.249 3.712 3.960 0.003 0.000 0.252 89 G HA3 -0.249 3.712 3.960 0.003 0.000 0.252 89 G C 0.068 174.993 174.900 0.043 0.000 0.994 89 G CA 0.331 45.420 45.100 -0.019 0.000 0.698 89 G HN 0.244 nan 8.290 nan 0.000 0.521 90 E N -0.017 120.225 120.200 0.071 0.000 2.376 90 E HA 0.613 4.965 4.350 0.003 0.000 0.254 90 E C 1.220 177.947 176.600 0.212 0.000 1.213 90 E CA 0.108 56.574 56.400 0.111 0.000 0.945 90 E CB 0.233 29.982 29.700 0.082 0.000 1.057 90 E HN 0.774 nan 8.360 nan 0.000 0.479 91 R N 1.019 121.610 120.500 0.152 0.000 2.643 91 R HA -0.018 4.324 4.340 0.003 0.000 0.270 91 R C 0.484 176.823 176.300 0.066 0.000 1.061 91 R CA -0.008 56.173 56.100 0.135 0.000 1.107 91 R CB -0.626 29.709 30.300 0.058 0.000 0.999 91 R HN 0.564 nan 8.270 nan 0.000 0.460 92 H N 3.026 121.955 119.070 -0.234 0.000 3.094 92 H HA 0.049 4.607 4.556 0.003 0.000 0.320 92 H C -1.903 173.159 175.328 -0.443 0.000 1.000 92 H CA -0.951 54.614 56.048 -0.806 0.000 1.413 92 H CB 0.813 30.193 29.762 -0.636 0.000 1.405 92 H HN 0.512 nan 8.280 nan 0.000 0.586 93 P HA -0.018 nan 4.420 nan 0.000 0.272 93 P C -0.351 176.929 177.300 -0.033 0.000 1.230 93 P CA -0.481 62.514 63.100 -0.176 0.000 0.788 93 P CB 0.575 32.177 31.700 -0.162 0.000 0.949 94 V N 2.214 122.104 119.914 -0.040 0.000 2.673 94 V HA -0.017 4.105 4.120 0.003 0.000 0.303 94 V C 1.170 177.276 176.094 0.021 0.000 1.046 94 V CA 0.326 62.627 62.300 0.001 0.000 1.126 94 V CB -0.379 31.460 31.823 0.027 0.000 0.934 94 V HN 0.482 nan 8.190 nan 0.000 0.487 95 R N 4.045 124.550 120.500 0.008 0.000 2.297 95 R HA 0.487 4.829 4.340 0.003 0.000 0.308 95 R C -0.338 175.960 176.300 -0.004 0.000 1.029 95 R CA -0.315 55.789 56.100 0.007 0.000 0.929 95 R CB 0.829 31.117 30.300 -0.020 0.000 1.046 95 R HN 0.858 nan 8.270 nan 0.000 0.461 96 E N 1.714 121.929 120.200 0.025 0.000 2.392 96 E HA 0.556 4.908 4.350 0.003 0.000 0.269 96 E C -1.470 175.153 176.600 0.039 0.000 0.924 96 E CA -1.228 55.189 56.400 0.027 0.000 0.784 96 E CB 2.169 31.932 29.700 0.105 0.000 1.292 96 E HN 0.649 nan 8.360 nan 0.000 0.447 97 A N 1.492 124.333 122.820 0.035 0.000 2.350 97 A HA 0.512 4.834 4.320 0.003 0.000 0.324 97 A C -0.510 177.148 177.584 0.123 0.000 1.118 97 A CA -0.618 51.461 52.037 0.069 0.000 0.783 97 A CB 1.065 20.088 19.000 0.038 0.000 1.236 97 A HN 0.583 nan 8.150 nan 0.000 0.457 98 R N 1.699 122.287 120.500 0.147 0.000 2.389 98 R HA 0.529 4.871 4.340 0.003 0.000 0.295 98 R C -0.468 175.952 176.300 0.201 0.000 1.075 98 R CA 0.234 56.447 56.100 0.188 0.000 1.005 98 R CB 0.579 30.991 30.300 0.187 0.000 0.987 98 R HN 0.831 nan 8.270 nan 0.000 0.452 99 A N 4.733 127.708 122.820 0.258 0.000 2.335 99 A HA 0.428 4.750 4.320 0.003 0.000 0.304 99 A C -1.060 176.730 177.584 0.342 0.000 1.118 99 A CA -0.712 51.491 52.037 0.277 0.000 0.757 99 A CB 1.735 20.905 19.000 0.284 0.000 1.188 99 A HN 0.508 nan 8.150 nan 0.000 0.460 100 V N 4.466 124.566 119.914 0.310 0.000 2.350 100 V HA 0.354 4.476 4.120 0.003 0.000 0.276 100 V C -0.177 176.107 176.094 0.316 0.000 1.028 100 V CA -0.064 62.444 62.300 0.348 0.000 0.860 100 V CB 0.818 32.869 31.823 0.381 0.000 0.990 100 V HN 0.724 nan 8.190 nan 0.000 0.453 101 I N 5.127 125.894 120.570 0.329 0.000 2.362 101 I HA 0.405 4.577 4.170 0.003 0.000 0.289 101 I C -0.741 175.528 176.117 0.253 0.000 0.994 101 I CA -0.466 60.918 61.300 0.140 0.000 1.158 101 I CB 1.569 39.507 38.000 -0.102 0.000 1.315 101 I HN 0.369 nan 8.210 nan 0.000 0.451 102 F N 6.108 126.072 119.950 0.023 0.000 2.404 102 F HA 0.260 4.788 4.527 0.003 0.000 0.359 102 F C 0.072 175.952 175.800 0.133 0.000 1.134 102 F CA -0.782 57.348 58.000 0.217 0.000 1.160 102 F CB -0.028 39.121 39.000 0.247 0.000 1.186 102 F HN 0.241 nan 8.300 nan 0.000 0.526 103 F N 2.094 122.325 119.950 0.467 0.000 2.467 103 F HA 0.320 4.849 4.527 0.003 0.000 0.349 103 F C 1.382 177.094 175.800 -0.146 0.000 1.182 103 F CA -0.489 57.615 58.000 0.172 0.000 1.279 103 F CB 0.513 39.586 39.000 0.121 0.000 1.626 103 F HN 0.581 nan 8.300 nan 0.000 0.596 104 G N -0.018 108.777 108.800 -0.008 0.000 2.777 104 G HA2 -0.121 3.841 3.960 0.003 0.000 0.211 104 G HA3 -0.121 3.841 3.960 0.003 0.000 0.211 104 G C 0.517 175.292 174.900 -0.209 0.000 1.149 104 G CA 0.059 44.895 45.100 -0.441 0.000 0.785 104 G HN 0.351 nan 8.290 nan 0.000 0.536 105 D N 0.747 121.127 120.400 -0.033 0.000 3.110 105 D HA 0.233 4.875 4.640 0.003 0.000 0.254 105 D C 0.427 176.702 176.300 -0.042 0.000 1.283 105 D CA -0.293 53.696 54.000 -0.018 0.000 0.944 105 D CB -0.401 40.421 40.800 0.036 0.000 1.066 105 D HN 0.561 nan 8.370 nan 0.000 0.496 106 Q N -1.060 118.673 119.800 -0.112 0.000 2.702 106 Q HA 0.184 4.526 4.340 0.003 0.000 0.289 106 Q C 0.325 176.211 176.000 -0.191 0.000 0.923 106 Q CA -0.822 54.907 55.803 -0.122 0.000 0.787 106 Q CB 0.762 29.441 28.738 -0.099 0.000 1.476 106 Q HN -0.051 nan 8.270 nan 0.000 0.402 107 E N 0.282 120.354 120.200 -0.213 0.000 2.085 107 E HA -0.169 4.183 4.350 0.003 0.000 0.194 107 E C -0.123 176.153 176.600 -0.539 0.000 0.994 107 E CA 1.297 57.474 56.400 -0.371 0.000 0.801 107 E CB 0.196 29.638 29.700 -0.429 0.000 0.743 107 E HN 0.515 nan 8.360 nan 0.000 0.453 108 H N 0.673 119.657 119.070 -0.144 0.000 2.632 108 H HA 0.309 4.867 4.556 0.003 0.000 0.258 108 H C -2.353 172.847 175.328 -0.214 0.000 1.278 108 H CA -2.308 53.645 56.048 -0.158 0.000 1.352 108 H CB 0.791 30.485 29.762 -0.114 0.000 1.418 108 H HN 0.171 nan 8.280 nan 0.000 0.513 109 P HA -0.030 nan 4.420 nan 0.000 0.267 109 P C 0.169 177.342 177.300 -0.212 0.000 1.200 109 P CA 0.206 62.973 63.100 -0.555 0.000 0.772 109 P CB 0.828 31.624 31.700 -1.506 0.000 0.855 110 N N -0.236 118.482 118.700 0.031 0.000 2.934 110 N HA 0.455 5.196 4.740 0.003 0.000 0.253 110 N C -1.935 173.864 175.510 0.481 0.000 1.466 110 N CA -0.903 52.317 53.050 0.282 0.000 0.858 110 N CB 0.727 39.309 38.487 0.158 0.000 1.459 110 N HN -0.006 nan 8.380 nan 0.000 0.532 111 V N 0.060 120.186 119.914 0.353 0.000 2.459 111 V HA 0.689 4.811 4.120 0.003 0.000 0.295 111 V C -0.473 175.798 176.094 0.295 0.000 1.029 111 V CA -0.276 62.235 62.300 0.351 0.000 0.874 111 V CB 1.168 33.134 31.823 0.239 0.000 0.985 111 V HN 0.838 nan 8.190 nan 0.000 0.438 112 T N 4.229 119.004 114.554 0.369 0.000 2.893 112 T HA 0.497 4.849 4.350 0.003 0.000 0.293 112 T C -0.689 174.040 174.700 0.048 0.000 1.027 112 T CA -0.691 61.512 62.100 0.171 0.000 0.988 112 T CB 1.801 70.823 68.868 0.257 0.000 1.043 112 T HN 0.704 nan 8.240 nan 0.000 0.461 113 E N 1.460 121.572 120.200 -0.146 0.000 2.212 113 E HA 0.652 5.004 4.350 0.003 0.000 0.270 113 E C -1.211 175.124 176.600 -0.441 0.000 0.956 113 E CA -0.681 55.675 56.400 -0.072 0.000 0.825 113 E CB 1.650 31.421 29.700 0.119 0.000 1.167 113 E HN 0.416 nan 8.360 nan 0.000 0.400 114 F N 0.101 120.188 119.950 0.229 0.000 2.599 114 F HA 0.509 5.038 4.527 0.003 0.000 0.311 114 F C -0.208 175.714 175.800 0.203 0.000 1.076 114 F CA -1.092 57.040 58.000 0.219 0.000 0.937 114 F CB 1.669 40.810 39.000 0.235 0.000 1.282 114 F HN 0.420 nan 8.300 nan 0.000 0.460 115 A N 1.800 124.858 122.820 0.397 0.000 2.260 115 A HA 0.721 5.043 4.320 0.003 0.000 0.308 115 A C -1.081 176.699 177.584 0.327 0.000 1.254 115 A CA -0.563 51.665 52.037 0.318 0.000 0.874 115 A CB 0.411 19.585 19.000 0.290 0.000 1.153 115 A HN 0.538 nan 8.150 nan 0.000 0.527 116 V N 2.610 122.618 119.914 0.157 0.000 2.398 116 V HA 0.819 4.941 4.120 0.003 0.000 0.286 116 V C 0.738 176.621 176.094 -0.351 0.000 1.026 116 V CA 0.516 62.760 62.300 -0.093 0.000 0.868 116 V CB 1.135 32.935 31.823 -0.037 0.000 0.982 116 V HN 1.321 nan 8.190 nan 0.000 0.443 117 G N 5.462 113.679 108.800 -0.970 0.000 2.548 117 G HA2 0.657 4.618 3.960 0.003 0.000 0.301 117 G HA3 0.657 4.618 3.960 0.003 0.000 0.301 117 G C -3.405 170.761 174.900 -1.222 0.000 1.349 117 G CA -0.894 43.664 45.100 -0.903 0.000 0.792 117 G HN 0.478 nan 8.290 nan 0.000 0.481 118 P HA 0.490 nan 4.420 nan 0.000 0.276 118 P C -0.765 176.390 177.300 -0.242 0.000 1.261 118 P CA -0.389 62.570 63.100 -0.236 0.000 0.800 118 P CB 1.469 33.124 31.700 -0.075 0.000 1.066 119 L N 1.578 122.705 121.223 -0.159 0.000 2.349 119 L HA 0.447 4.789 4.340 0.003 0.000 0.278 119 L C -1.830 174.965 176.870 -0.125 0.000 0.996 119 L CA -2.082 52.673 54.840 -0.141 0.000 0.825 119 L CB 1.774 43.764 42.059 -0.114 0.000 1.243 119 L HN 0.289 nan 8.230 nan 0.000 0.412 120 P HA 0.267 nan 4.420 nan 0.000 0.276 120 P C 0.171 177.397 177.300 -0.123 0.000 1.261 120 P CA -0.073 62.960 63.100 -0.113 0.000 0.800 120 P CB 1.218 32.863 31.700 -0.092 0.000 1.066 121 G N 0.637 109.362 108.800 -0.124 0.000 2.470 121 G HA2 -0.093 3.869 3.960 0.003 0.000 0.286 121 G HA3 -0.093 3.869 3.960 0.003 0.000 0.286 121 G C -2.576 172.197 174.900 -0.211 0.000 1.115 121 G CA -0.741 44.285 45.100 -0.124 0.000 1.122 121 G HN 0.490 nan 8.290 nan 0.000 0.522 122 P HA 0.313 nan 4.420 nan 0.000 0.271 122 P C 1.075 177.937 177.300 -0.730 0.000 1.220 122 P CA 0.479 63.196 63.100 -0.638 0.000 0.768 122 P CB 1.130 32.363 31.700 -0.778 0.000 0.848 123 C N 1.971 120.848 119.300 -0.706 0.000 4.015 123 C HA 0.434 4.896 4.460 0.003 0.000 0.323 123 C C -0.285 174.704 174.990 -0.003 0.000 1.724 123 C CA -0.537 58.337 59.018 -0.239 0.000 1.828 123 C CB -1.385 26.340 27.740 -0.024 0.000 3.083 123 C HN 0.572 nan 8.230 nan 0.000 0.640 124 Y N 0.061 120.261 120.300 -0.167 0.000 2.588 124 Y HA 0.836 5.388 4.550 0.003 0.000 0.343 124 Y C -0.777 175.198 175.900 0.125 0.000 1.065 124 Y CA -2.086 56.066 58.100 0.086 0.000 1.038 124 Y CB 0.942 39.434 38.460 0.053 0.000 1.297 124 Y HN 0.255 nan 8.280 nan 0.000 0.467 125 M N 2.967 122.860 119.600 0.487 0.000 2.106 125 M HA 0.654 5.136 4.480 0.003 0.000 0.288 125 M C -1.399 175.179 176.300 0.463 0.000 0.941 125 M CA -0.841 54.714 55.300 0.424 0.000 0.934 125 M CB 2.199 34.927 32.600 0.213 0.000 1.551 125 M HN 0.898 nan 8.290 nan 0.000 0.437 126 R N 2.692 123.497 120.500 0.509 0.000 2.598 126 R HA 0.894 5.236 4.340 0.003 0.000 0.279 126 R C -0.478 176.059 176.300 0.395 0.000 0.984 126 R CA -0.593 55.726 56.100 0.365 0.000 0.999 126 R CB 1.375 31.783 30.300 0.180 0.000 1.114 126 R HN 0.790 nan 8.270 nan 0.000 0.493 127 A N 2.540 125.519 122.820 0.266 0.000 2.531 127 A HA 0.276 4.598 4.320 0.003 0.000 0.236 127 A C -0.553 177.080 177.584 0.082 0.000 1.062 127 A CA -0.243 51.859 52.037 0.109 0.000 0.760 127 A CB 0.177 19.215 19.000 0.063 0.000 0.995 127 A HN 0.600 nan 8.150 nan 0.000 0.501 128 L N 1.739 122.968 121.223 0.011 0.000 2.408 128 L HA 0.539 4.881 4.340 0.003 0.000 0.268 128 L C 0.494 177.390 176.870 0.044 0.000 0.986 128 L CA 0.616 55.495 54.840 0.066 0.000 0.820 128 L CB 1.751 43.882 42.059 0.121 0.000 1.303 128 L HN 0.987 nan 8.230 nan 0.000 0.411 129 S N 2.914 118.656 115.700 0.070 0.000 3.559 129 S HA -0.118 4.354 4.470 0.003 0.000 0.369 129 S C -2.165 172.454 174.600 0.031 0.000 0.987 129 S CA 0.520 58.763 58.200 0.071 0.000 1.187 129 S CB -1.959 61.311 63.200 0.118 0.000 0.914 129 S HN 0.692 nan 8.310 nan 0.000 0.480 130 P HA 0.249 nan 4.420 nan 0.000 0.268 130 P C -0.121 177.183 177.300 0.007 0.000 1.205 130 P CA -0.063 63.038 63.100 0.002 0.000 0.771 130 P CB 0.534 32.239 31.700 0.007 0.000 0.858 131 R N 2.926 123.431 120.500 0.007 0.000 2.681 131 R HA 0.283 4.625 4.340 0.003 0.000 0.277 131 R C -2.203 174.130 176.300 0.056 0.000 1.563 131 R CA -1.582 54.526 56.100 0.013 0.000 1.673 131 R CB 0.542 30.820 30.300 -0.037 0.000 1.258 131 R HN 0.404 nan 8.270 nan 0.000 0.650 132 P HA 0.122 nan 4.420 nan 0.000 0.271 132 P C 0.556 177.886 177.300 0.049 0.000 1.216 132 P CA 0.891 64.012 63.100 0.036 0.000 0.776 132 P CB 1.286 32.999 31.700 0.021 0.000 0.881 133 G N 1.463 110.287 108.800 0.040 0.000 2.225 133 G HA2 -0.288 3.674 3.960 0.003 0.000 0.254 133 G HA3 -0.288 3.674 3.960 0.003 0.000 0.254 133 G C -0.143 174.805 174.900 0.080 0.000 0.988 133 G CA 0.159 45.282 45.100 0.039 0.000 0.625 133 G HN 0.672 nan 8.290 nan 0.000 0.527 134 Y N 1.549 121.828 120.300 -0.034 0.000 2.316 134 Y HA 0.594 5.146 4.550 0.003 0.000 0.331 134 Y C 1.267 177.145 175.900 -0.038 0.000 1.083 134 Y CA -0.143 57.935 58.100 -0.037 0.000 1.206 134 Y CB 0.918 39.352 38.460 -0.045 0.000 1.195 134 Y HN 0.134 nan 8.280 nan 0.000 0.497 135 Q N 2.663 122.134 119.800 -0.549 0.000 2.217 135 Q HA 0.135 4.476 4.340 0.003 0.000 0.217 135 Q C 0.343 176.020 176.000 -0.538 0.000 0.844 135 Q CA 0.089 55.638 55.803 -0.423 0.000 0.957 135 Q CB 0.896 29.492 28.738 -0.237 0.000 1.127 135 Q HN 0.636 nan 8.270 nan 0.000 0.503 136 S N 0.260 115.317 115.700 -1.072 0.000 2.574 136 S HA 0.008 4.480 4.470 0.003 0.000 0.242 136 S C 1.577 175.964 174.600 -0.356 0.000 0.982 136 S CA 0.035 57.867 58.200 -0.612 0.000 0.977 136 S CB 0.418 63.369 63.200 -0.415 0.000 0.814 136 S HN 0.372 nan 8.310 nan 0.000 0.464 137 S N 0.903 116.440 115.700 -0.272 0.000 2.399 137 S HA -0.141 4.331 4.470 0.003 0.000 0.231 137 S C 1.561 176.196 174.600 0.058 0.000 1.022 137 S CA 0.292 58.533 58.200 0.069 0.000 0.983 137 S CB -0.603 62.651 63.200 0.090 0.000 0.803 137 S HN 0.814 nan 8.310 nan 0.000 0.480 138 W N 2.293 123.512 121.300 -0.134 0.000 2.379 138 W HA -0.044 4.618 4.660 0.003 0.000 0.307 138 W C 2.580 179.001 176.519 -0.164 0.000 1.200 138 W CA 1.224 58.471 57.345 -0.162 0.000 1.297 138 W CB -0.495 28.896 29.460 -0.115 0.000 1.140 138 W HN 0.465 nan 8.180 nan 0.000 0.507 139 A N 0.541 123.328 122.820 -0.054 0.000 2.024 139 A HA -0.247 4.075 4.320 0.003 0.000 0.220 139 A C 1.961 179.460 177.584 -0.141 0.000 1.164 139 A CA 2.352 54.304 52.037 -0.141 0.000 0.643 139 A CB -1.180 17.788 19.000 -0.054 0.000 0.806 139 A HN 0.382 nan 8.150 nan 0.000 0.451 140 S N 0.110 115.780 115.700 -0.050 0.000 2.522 140 S HA -0.037 4.435 4.470 0.003 0.000 0.227 140 S C 1.070 175.674 174.600 0.007 0.000 0.986 140 S CA 0.115 58.350 58.200 0.058 0.000 0.929 140 S CB -0.473 62.855 63.200 0.213 0.000 0.769 140 S HN 0.751 nan 8.310 nan 0.000 0.529 141 R N 1.250 121.610 120.500 -0.233 0.000 2.641 141 R HA 0.393 4.735 4.340 0.003 0.000 0.269 141 R C -2.972 173.102 176.300 -0.377 0.000 1.074 141 R CA -1.470 54.401 56.100 -0.382 0.000 1.133 141 R CB -0.789 28.869 30.300 -1.071 0.000 1.029 141 R HN 0.053 nan 8.270 nan 0.000 0.488 142 P HA -0.033 nan 4.420 nan 0.000 0.269 142 P C -0.105 177.021 177.300 -0.291 0.000 1.217 142 P CA -0.131 62.797 63.100 -0.287 0.000 0.783 142 P CB 0.434 32.068 31.700 -0.110 0.000 0.898 143 I N 1.174 121.567 120.570 -0.294 0.000 2.779 143 I HA 0.156 4.328 4.170 0.003 0.000 0.285 143 I C 0.353 176.460 176.117 -0.017 0.000 1.134 143 I CA 0.663 61.808 61.300 -0.259 0.000 1.398 143 I CB 0.548 38.270 38.000 -0.464 0.000 1.404 143 I HN 0.439 nan 8.210 nan 0.000 0.587 144 S N 2.809 118.525 115.700 0.027 0.000 2.671 144 S HA 0.382 4.854 4.470 0.003 0.000 0.299 144 S C 0.609 175.364 174.600 0.258 0.000 1.116 144 S CA -0.400 57.947 58.200 0.246 0.000 0.912 144 S CB 1.582 64.966 63.200 0.306 0.000 1.130 144 S HN 0.655 nan 8.310 nan 0.000 0.501 145 T N 1.641 116.393 114.554 0.330 0.000 2.720 145 T HA -0.093 4.259 4.350 0.003 0.000 0.268 145 T C 2.136 177.011 174.700 0.291 0.000 1.037 145 T CA 1.898 64.208 62.100 0.350 0.000 1.144 145 T CB -0.926 68.091 68.868 0.247 0.000 0.864 145 T HN 0.854 nan 8.240 nan 0.000 0.444 146 A N 1.241 124.200 122.820 0.232 0.000 1.908 146 A HA -0.164 4.158 4.320 0.003 0.000 0.218 146 A C 2.211 179.937 177.584 0.237 0.000 1.181 146 A CA 2.006 54.169 52.037 0.210 0.000 0.627 146 A CB -0.635 18.480 19.000 0.192 0.000 0.818 146 A HN 0.623 nan 8.150 nan 0.000 0.445 147 E N -1.404 118.930 120.200 0.224 0.000 2.077 147 E HA -0.208 4.144 4.350 0.003 0.000 0.193 147 E C 1.740 178.483 176.600 0.238 0.000 0.989 147 E CA 1.257 57.797 56.400 0.233 0.000 0.800 147 E CB -0.286 29.468 29.700 0.089 0.000 0.746 147 E HN 0.774 nan 8.360 nan 0.000 0.452 148 Y N 0.106 120.560 120.300 0.256 0.000 2.224 148 Y HA -0.233 4.319 4.550 0.003 0.000 0.289 148 Y C 2.383 178.476 175.900 0.322 0.000 1.146 148 Y CA 0.784 59.058 58.100 0.290 0.000 1.182 148 Y CB -0.166 38.416 38.460 0.203 0.000 0.983 148 Y HN 0.195 nan 8.280 nan 0.000 0.524 149 A N 0.190 123.253 122.820 0.405 0.000 1.877 149 A HA -0.182 4.140 4.320 0.003 0.000 0.216 149 A C 2.164 179.965 177.584 0.361 0.000 1.186 149 A CA 1.607 53.843 52.037 0.331 0.000 0.620 149 A CB -1.067 18.067 19.000 0.223 0.000 0.822 149 A HN 0.479 nan 8.150 nan 0.000 0.443 150 L N -0.728 120.683 121.223 0.314 0.000 2.083 150 L HA -0.166 4.176 4.340 0.003 0.000 0.209 150 L C 2.546 179.678 176.870 0.437 0.000 1.083 150 L CA 0.879 55.879 54.840 0.265 0.000 0.752 150 L CB -0.504 41.618 42.059 0.106 0.000 0.899 150 L HN 0.371 nan 8.230 nan 0.000 0.433 151 L N -1.626 119.913 121.223 0.527 0.000 2.046 151 L HA -0.270 4.072 4.340 0.003 0.000 0.208 151 L C 2.619 179.667 176.870 0.296 0.000 1.077 151 L CA 1.316 56.374 54.840 0.364 0.000 0.747 151 L CB -0.610 41.563 42.059 0.189 0.000 0.896 151 L HN 0.201 nan 8.230 nan 0.000 0.432 152 Y N -0.015 120.490 120.300 0.341 0.000 2.181 152 Y HA -0.331 4.221 4.550 0.003 0.000 0.288 152 Y C 2.782 178.764 175.900 0.136 0.000 1.146 152 Y CA 2.031 60.302 58.100 0.285 0.000 1.164 152 Y CB -0.359 38.295 38.460 0.324 0.000 0.982 152 Y HN 0.248 nan 8.280 nan 0.000 0.515 153 H N -0.976 118.146 119.070 0.087 0.000 2.387 153 H HA -0.107 4.451 4.556 0.003 0.000 0.299 153 H C 1.996 177.275 175.328 -0.081 0.000 1.090 153 H CA 2.326 58.352 56.048 -0.037 0.000 1.332 153 H CB -0.254 29.521 29.762 0.023 0.000 1.386 153 H HN 0.285 nan 8.280 nan 0.000 0.516 154 T N 0.938 115.504 114.554 0.020 0.000 2.746 154 T HA -0.114 4.238 4.350 0.003 0.000 0.267 154 T C 2.181 176.774 174.700 -0.177 0.000 1.039 154 T CA 1.404 63.490 62.100 -0.023 0.000 1.142 154 T CB -0.238 68.746 68.868 0.194 0.000 0.866 154 T HN 0.257 nan 8.240 nan 0.000 0.444 155 L N 0.613 121.666 121.223 -0.283 0.000 2.056 155 L HA -0.116 4.226 4.340 0.003 0.000 0.207 155 L C 2.909 179.473 176.870 -0.510 0.000 1.078 155 L CA 1.346 55.898 54.840 -0.479 0.000 0.749 155 L CB -0.611 40.958 42.059 -0.817 0.000 0.901 155 L HN 0.328 nan 8.230 nan 0.000 0.433 156 Q N -0.357 119.122 119.800 -0.534 0.000 2.096 156 Q HA -0.221 4.121 4.340 0.003 0.000 0.204 156 Q C 2.184 178.043 176.000 -0.234 0.000 0.982 156 Q CA 1.472 57.061 55.803 -0.357 0.000 0.850 156 Q CB 0.018 28.521 28.738 -0.391 0.000 0.901 156 Q HN 0.441 nan 8.270 nan 0.000 0.422 157 E N 0.224 120.242 120.200 -0.304 0.000 2.028 157 E HA -0.107 4.245 4.350 0.003 0.000 0.190 157 E C 1.997 178.524 176.600 -0.122 0.000 0.984 157 E CA 1.106 57.377 56.400 -0.215 0.000 0.800 157 E CB -0.297 29.244 29.700 -0.265 0.000 0.758 157 E HN 0.331 nan 8.360 nan 0.000 0.448 158 A N 1.283 124.032 122.820 -0.119 0.000 1.972 158 A HA -0.127 4.194 4.320 0.003 0.000 0.219 158 A C 2.257 179.819 177.584 -0.036 0.000 1.169 158 A CA 2.155 54.153 52.037 -0.066 0.000 0.635 158 A CB -0.717 18.247 19.000 -0.061 0.000 0.810 158 A HN 0.347 nan 8.150 nan 0.000 0.446 159 T N -3.312 111.235 114.554 -0.012 0.000 3.188 159 T HA 0.211 4.563 4.350 0.003 0.000 0.250 159 T C 1.290 176.045 174.700 0.092 0.000 1.077 159 T CA 0.453 62.607 62.100 0.089 0.000 0.967 159 T CB -0.022 69.060 68.868 0.358 0.000 1.006 159 T HN 0.454 nan 8.240 nan 0.000 0.552 160 K N 1.731 122.155 120.400 0.040 0.000 2.074 160 K HA -0.065 4.257 4.320 0.003 0.000 0.209 160 K C -0.747 175.863 176.600 0.017 0.000 1.048 160 K CA 1.719 58.028 56.287 0.037 0.000 0.926 160 K CB -1.031 31.460 32.500 -0.014 0.000 0.713 160 K HN 0.357 nan 8.250 nan 0.000 0.444 161 P HA -0.147 nan 4.420 nan 0.000 0.219 161 P C 0.702 177.937 177.300 -0.108 0.000 1.146 161 P CA 1.162 64.230 63.100 -0.053 0.000 0.808 161 P CB 0.096 31.754 31.700 -0.071 0.000 0.779 162 L N -2.750 118.339 121.223 -0.223 0.000 2.592 162 L HA 0.060 4.402 4.340 0.003 0.000 0.227 162 L C 2.247 178.801 176.870 -0.527 0.000 1.127 162 L CA 0.056 54.594 54.840 -0.504 0.000 0.884 162 L CB -0.762 40.744 42.059 -0.922 0.000 1.065 162 L HN 0.026 nan 8.230 nan 0.000 0.457 163 H N 0.620 119.568 119.070 -0.204 0.000 2.289 163 H HA -0.215 4.342 4.556 0.003 0.000 0.296 163 H C 2.262 177.619 175.328 0.048 0.000 1.091 163 H CA 1.953 58.025 56.048 0.039 0.000 1.274 163 H CB 0.343 30.163 29.762 0.095 0.000 1.364 163 H HN 0.178 nan 8.280 nan 0.000 0.490 164 Q N -0.559 119.243 119.800 0.003 0.000 2.119 164 Q HA -0.136 4.206 4.340 0.003 0.000 0.201 164 Q C 2.367 178.350 176.000 -0.029 0.000 0.972 164 Q CA 1.302 57.099 55.803 -0.009 0.000 0.847 164 Q CB -0.718 28.083 28.738 0.105 0.000 0.903 164 Q HN 0.543 nan 8.270 nan 0.000 0.433 165 F N 0.935 120.735 119.950 -0.250 0.000 2.091 165 F HA -0.280 4.249 4.527 0.003 0.000 0.299 165 F C 1.734 177.319 175.800 -0.357 0.000 1.103 165 F CA 1.284 58.952 58.000 -0.553 0.000 1.228 165 F CB -0.300 38.225 39.000 -0.790 0.000 0.984 165 F HN -0.058 nan 8.300 nan 0.000 0.477 166 F N 0.564 120.358 119.950 -0.260 0.000 2.102 166 F HA -0.175 4.354 4.527 0.003 0.000 0.298 166 F C 2.352 177.972 175.800 -0.300 0.000 1.105 166 F CA 1.270 59.088 58.000 -0.302 0.000 1.239 166 F CB -1.446 37.495 39.000 -0.099 0.000 0.991 166 F HN -0.010 nan 8.300 nan 0.000 0.474 167 L N -0.399 120.775 121.223 -0.081 0.000 2.046 167 L HA -0.252 4.090 4.340 0.003 0.000 0.208 167 L C 2.196 179.016 176.870 -0.083 0.000 1.077 167 L CA 1.344 56.128 54.840 -0.092 0.000 0.747 167 L CB -0.722 41.253 42.059 -0.140 0.000 0.896 167 L HN 0.117 nan 8.230 nan 0.000 0.432 168 N N -0.572 118.056 118.700 -0.120 0.000 2.142 168 N HA -0.140 4.602 4.740 0.003 0.000 0.186 168 N C 1.907 177.328 175.510 -0.147 0.000 1.023 168 N CA 1.956 54.956 53.050 -0.082 0.000 0.852 168 N CB -0.404 38.094 38.487 0.018 0.000 0.998 168 N HN 0.433 nan 8.380 nan 0.000 0.424 169 T N -3.919 110.429 114.554 -0.344 0.000 3.044 169 T HA 0.040 4.392 4.350 0.003 0.000 0.255 169 T C 1.741 176.322 174.700 -0.198 0.000 1.073 169 T CA 1.397 63.288 62.100 -0.349 0.000 1.125 169 T CB -0.211 68.219 68.868 -0.731 0.000 0.908 169 T HN 0.304 nan 8.240 nan 0.000 0.480 170 T N -3.126 111.336 114.554 -0.154 0.000 2.954 170 T HA 0.485 4.837 4.350 0.003 0.000 0.252 170 T C 1.951 176.706 174.700 0.092 0.000 0.983 170 T CA 0.872 62.929 62.100 -0.071 0.000 0.941 170 T CB -0.136 68.662 68.868 -0.117 0.000 1.141 170 T HN 0.924 nan 8.240 nan 0.000 0.500 171 G N 1.077 109.937 108.800 0.101 0.000 2.184 171 G HA2 -0.187 3.774 3.960 0.003 0.000 0.264 171 G HA3 -0.187 3.774 3.960 0.003 0.000 0.264 171 G C -0.160 174.882 174.900 0.236 0.000 0.975 171 G CA 0.416 45.618 45.100 0.170 0.000 0.642 171 G HN 0.550 nan 8.290 nan 0.000 0.536 172 F N 0.618 120.506 119.950 -0.104 0.000 2.618 172 F HA 0.825 5.354 4.527 0.003 0.000 0.332 172 F C 0.623 176.320 175.800 -0.172 0.000 1.061 172 F CA -0.677 57.243 58.000 -0.133 0.000 0.974 172 F CB 2.257 41.151 39.000 -0.177 0.000 1.310 172 F HN 0.505 nan 8.300 nan 0.000 0.491 173 S N -0.578 115.100 115.700 -0.036 0.000 2.625 173 S HA 0.539 5.011 4.470 0.003 0.000 0.271 173 S C -0.448 174.052 174.600 -0.167 0.000 1.161 173 S CA -0.593 57.572 58.200 -0.058 0.000 0.820 173 S CB 1.179 64.475 63.200 0.160 0.000 1.137 173 S HN 0.296 nan 8.310 nan 0.000 0.470 174 F N 1.385 121.365 119.950 0.050 0.000 2.317 174 F HA 0.245 4.774 4.527 0.003 0.000 0.293 174 F C 1.456 177.272 175.800 0.028 0.000 1.085 174 F CA 0.658 58.671 58.000 0.021 0.000 1.390 174 F CB 0.032 39.013 39.000 -0.032 0.000 1.077 174 F HN 0.766 nan 8.300 nan 0.000 0.517 175 Q N 0.278 120.251 119.800 0.288 0.000 2.230 175 Q HA 0.224 4.565 4.340 0.003 0.000 0.253 175 Q C -0.711 175.346 176.000 0.095 0.000 0.919 175 Q CA -0.497 55.376 55.803 0.118 0.000 0.908 175 Q CB 1.215 29.952 28.738 -0.003 0.000 1.245 175 Q HN 0.169 nan 8.270 nan 0.000 0.437 176 D N 0.448 120.854 120.400 0.010 0.000 2.772 176 D HA -0.169 4.472 4.640 0.003 0.000 0.233 176 D C -0.298 175.941 176.300 -0.102 0.000 1.143 176 D CA 1.068 55.053 54.000 -0.025 0.000 0.700 176 D CB -1.958 38.869 40.800 0.045 0.000 1.076 176 D HN 0.770 nan 8.370 nan 0.000 0.430 177 c N -1.964 116.522 118.600 -0.190 0.000 2.358 177 c HA 0.730 5.302 4.570 0.003 0.000 0.354 177 c C 1.542 175.303 174.090 -0.548 0.000 1.183 177 c CA -0.600 55.598 56.329 -0.219 0.000 2.150 177 c CB 2.257 44.720 42.510 -0.079 0.000 2.361 177 c HN 0.412 nan 8.230 nan 0.000 0.535 178 H N -0.010 119.046 119.070 -0.024 0.000 1.920 178 H HA 0.180 4.738 4.556 0.003 0.000 0.186 178 H C 0.243 175.542 175.328 -0.047 0.000 0.924 178 H CA 0.325 56.361 56.048 -0.021 0.000 1.039 178 H CB 0.032 29.779 29.762 -0.025 0.000 1.126 178 H HN 0.631 nan 8.280 nan 0.000 0.379 179 D N 0.814 121.228 120.400 0.024 0.000 2.433 179 D HA 0.151 4.793 4.640 0.003 0.000 0.211 179 D C 0.350 176.490 176.300 -0.266 0.000 1.114 179 D CA 0.174 54.125 54.000 -0.082 0.000 0.837 179 D CB 1.167 41.919 40.800 -0.080 0.000 0.984 179 D HN 0.151 nan 8.370 nan 0.000 0.505 180 R N 0.332 120.582 120.500 -0.416 0.000 2.835 180 R HA 0.341 4.683 4.340 0.003 0.000 0.290 180 R C -0.851 175.081 176.300 -0.613 0.000 1.410 180 R CA -0.275 55.163 56.100 -1.104 0.000 1.590 180 R CB 0.563 30.186 30.300 -1.129 0.000 1.288 180 R HN -0.071 nan 8.270 nan 0.000 0.637 181 c N 1.696 120.220 118.600 -0.127 0.000 2.388 181 c HA 0.405 4.977 4.570 0.003 0.000 0.362 181 c C 0.813 174.999 174.090 0.160 0.000 1.266 181 c CA -0.785 55.569 56.329 0.042 0.000 2.028 181 c CB 0.268 42.815 42.510 0.063 0.000 2.440 181 c HN 0.573 nan 8.230 nan 0.000 0.547 182 L N 3.043 124.154 121.223 -0.186 0.000 2.436 182 L HA 0.549 4.891 4.340 0.003 0.000 0.265 182 L C 0.626 177.305 176.870 -0.319 0.000 1.168 182 L CA 0.229 54.780 54.840 -0.482 0.000 0.815 182 L CB 0.347 41.611 42.059 -1.326 0.000 1.109 182 L HN 0.866 nan 8.230 nan 0.000 0.462 183 A N 2.107 124.852 122.820 -0.125 0.000 2.530 183 A HA 0.902 5.224 4.320 0.003 0.000 0.288 183 A C -1.202 176.556 177.584 0.291 0.000 1.172 183 A CA -0.463 51.582 52.037 0.014 0.000 0.733 183 A CB 1.693 20.516 19.000 -0.295 0.000 1.320 183 A HN 0.587 nan 8.150 nan 0.000 0.419 184 F N -1.966 118.123 119.950 0.231 0.000 2.613 184 F HA 0.835 5.364 4.527 0.003 0.000 0.314 184 F C -0.567 175.404 175.800 0.284 0.000 1.075 184 F CA -0.662 57.511 58.000 0.288 0.000 0.945 184 F CB 1.750 40.948 39.000 0.331 0.000 1.310 184 F HN 0.340 nan 8.300 nan 0.000 0.467 185 T N 2.067 116.939 114.554 0.530 0.000 2.815 185 T HA 0.277 4.629 4.350 0.003 0.000 0.289 185 T C -1.272 173.747 174.700 0.531 0.000 1.000 185 T CA -0.701 61.660 62.100 0.436 0.000 0.958 185 T CB 0.753 69.935 68.868 0.524 0.000 0.944 185 T HN 0.703 nan 8.240 nan 0.000 0.442 186 D N 2.465 123.189 120.400 0.540 0.000 2.302 186 D HA 0.371 5.013 4.640 0.003 0.000 0.248 186 D C 0.544 177.149 176.300 0.510 0.000 1.094 186 D CA -0.534 53.796 54.000 0.550 0.000 0.897 186 D CB 1.300 42.466 40.800 0.610 0.000 1.200 186 D HN 0.360 nan 8.370 nan 0.000 0.429 187 V N -1.867 118.299 119.914 0.420 0.000 2.975 187 V HA 0.947 5.069 4.120 0.003 0.000 0.318 187 V C -0.302 175.973 176.094 0.301 0.000 1.077 187 V CA -0.875 61.593 62.300 0.280 0.000 1.000 187 V CB 1.040 32.909 31.823 0.077 0.000 1.066 187 V HN 1.020 nan 8.190 nan 0.000 0.452 188 A N 2.622 125.549 122.820 0.177 0.000 2.556 188 A HA 0.976 5.298 4.320 0.003 0.000 0.294 188 A C -3.030 174.593 177.584 0.066 0.000 1.091 188 A CA -1.783 50.387 52.037 0.222 0.000 0.704 188 A CB 1.801 21.054 19.000 0.422 0.000 1.300 188 A HN 0.781 nan 8.150 nan 0.000 0.406 189 P HA 0.315 nan 4.420 nan 0.000 0.275 189 P C -0.866 176.546 177.300 0.186 0.000 1.270 189 P CA -0.166 62.978 63.100 0.074 0.000 0.791 189 P CB 0.516 32.126 31.700 -0.150 0.000 1.089 190 R N 0.129 120.765 120.500 0.226 0.000 2.724 190 R HA 0.625 4.967 4.340 0.003 0.000 0.284 190 R C 0.377 176.777 176.300 0.168 0.000 1.481 190 R CA -0.310 55.892 56.100 0.169 0.000 1.652 190 R CB 0.418 30.755 30.300 0.062 0.000 1.175 190 R HN 0.870 nan 8.270 nan 0.000 0.613 191 G N -0.433 108.509 108.800 0.236 0.000 2.302 191 G HA2 -0.101 3.860 3.960 0.003 0.000 0.276 191 G HA3 -0.101 3.860 3.960 0.003 0.000 0.276 191 G C -0.223 174.775 174.900 0.162 0.000 1.316 191 G CA -0.288 44.880 45.100 0.113 0.000 0.988 191 G HN 0.271 nan 8.290 nan 0.000 0.479 192 V N -3.364 116.453 119.914 -0.163 0.000 3.432 192 V HA 0.807 4.929 4.120 0.003 0.000 0.298 192 V C 0.552 176.100 176.094 -0.909 0.000 1.464 192 V CA 1.194 63.348 62.300 -0.244 0.000 1.046 192 V CB -0.026 31.731 31.823 -0.110 0.000 0.887 192 V HN 2.542 nan 8.190 nan 0.000 0.441 193 A N -0.347 121.594 122.820 -1.465 0.000 2.608 193 A HA 0.706 5.028 4.320 0.003 0.000 0.292 193 A C -0.285 176.597 177.584 -1.171 0.000 1.066 193 A CA 0.148 51.262 52.037 -1.538 0.000 0.676 193 A CB 0.940 19.523 19.000 -0.696 0.000 1.277 193 A HN 0.687 nan 8.150 nan 0.000 0.413 194 S N -0.272 115.075 115.700 -0.588 0.000 2.563 194 S HA 0.416 4.888 4.470 0.003 0.000 0.294 194 S C 1.459 175.991 174.600 -0.112 0.000 1.279 194 S CA 1.865 60.041 58.200 -0.041 0.000 1.069 194 S CB -0.065 63.195 63.200 0.099 0.000 0.828 194 S HN 2.677 nan 8.310 nan 0.000 0.497 195 G N 3.514 112.294 108.800 -0.033 0.000 2.213 195 G HA2 -0.190 3.772 3.960 0.003 0.000 0.236 195 G HA3 -0.190 3.772 3.960 0.003 0.000 0.236 195 G C -0.038 174.808 174.900 -0.089 0.000 0.991 195 G CA 0.175 45.230 45.100 -0.075 0.000 0.629 195 G HN 0.750 nan 8.290 nan 0.000 0.517 196 Q N -0.370 119.362 119.800 -0.112 0.000 2.260 196 Q HA 0.655 4.997 4.340 0.003 0.000 0.242 196 Q C 0.342 176.272 176.000 -0.116 0.000 0.932 196 Q CA -0.434 55.292 55.803 -0.128 0.000 0.891 196 Q CB 1.217 29.855 28.738 -0.166 0.000 1.222 196 Q HN 0.280 nan 8.270 nan 0.000 0.453 197 R N 1.626 121.999 120.500 -0.212 0.000 2.687 197 R HA 0.236 4.578 4.340 0.003 0.000 0.264 197 R C -1.224 174.787 176.300 -0.481 0.000 1.715 197 R CA -0.182 55.689 56.100 -0.382 0.000 1.633 197 R CB 0.417 30.398 30.300 -0.531 0.000 1.353 197 R HN 0.515 nan 8.270 nan 0.000 0.653 198 R N 0.903 121.257 120.500 -0.244 0.000 2.371 198 R HA 0.354 4.696 4.340 0.003 0.000 0.312 198 R C -0.912 175.333 176.300 -0.090 0.000 0.980 198 R CA -0.508 55.481 56.100 -0.185 0.000 0.867 198 R CB 2.181 32.380 30.300 -0.168 0.000 1.163 198 R HN 0.149 nan 8.270 nan 0.000 0.492 199 S N 2.058 117.752 115.700 -0.010 0.000 2.462 199 S HA 0.285 4.757 4.470 0.003 0.000 0.294 199 S C -0.738 173.844 174.600 -0.031 0.000 1.144 199 S CA -0.771 57.477 58.200 0.080 0.000 1.088 199 S CB 0.652 63.982 63.200 0.217 0.000 1.009 199 S HN 0.383 nan 8.310 nan 0.000 0.484 200 W N 3.392 124.752 121.300 0.101 0.000 2.266 200 W HA 0.453 5.115 4.660 0.003 0.000 0.317 200 W C -0.448 176.145 176.519 0.124 0.000 1.310 200 W CA -0.499 56.902 57.345 0.093 0.000 1.207 200 W CB 0.434 29.935 29.460 0.067 0.000 1.199 200 W HN 0.356 nan 8.180 nan 0.000 0.544 201 L N 5.910 127.378 121.223 0.410 0.000 2.356 201 L HA 0.486 4.827 4.340 0.003 0.000 0.277 201 L C -0.357 176.752 176.870 0.399 0.000 0.996 201 L CA -1.057 53.991 54.840 0.347 0.000 0.822 201 L CB 1.158 43.269 42.059 0.085 0.000 1.256 201 L HN 0.251 nan 8.230 nan 0.000 0.413 202 I N 4.420 125.228 120.570 0.398 0.000 2.337 202 I HA 0.201 4.373 4.170 0.003 0.000 0.291 202 I C 0.036 176.384 176.117 0.385 0.000 1.046 202 I CA -0.451 61.050 61.300 0.334 0.000 1.324 202 I CB 0.969 39.128 38.000 0.265 0.000 1.409 202 I HN 0.342 nan 8.210 nan 0.000 0.494 203 I N 6.651 127.431 120.570 0.351 0.000 2.474 203 I HA 0.279 4.451 4.170 0.003 0.000 0.287 203 I C 0.142 176.392 176.117 0.222 0.000 1.048 203 I CA -0.120 61.376 61.300 0.327 0.000 1.383 203 I CB 0.720 38.908 38.000 0.314 0.000 1.412 203 I HN 0.658 nan 8.210 nan 0.000 0.531 204 Q N 4.890 124.790 119.800 0.166 0.000 2.456 204 Q HA 0.502 4.843 4.340 0.003 0.000 0.283 204 Q C -0.827 175.156 176.000 -0.027 0.000 1.084 204 Q CA -0.935 54.940 55.803 0.120 0.000 0.801 204 Q CB 2.806 31.674 28.738 0.217 0.000 1.434 204 Q HN 0.421 nan 8.270 nan 0.000 0.419 205 R N 1.021 121.452 120.500 -0.115 0.000 2.298 205 R HA 0.136 4.478 4.340 0.003 0.000 0.310 205 R C -0.853 175.371 176.300 -0.126 0.000 1.068 205 R CA -0.408 55.475 56.100 -0.361 0.000 0.957 205 R CB 0.481 30.237 30.300 -0.907 0.000 1.003 205 R HN 0.540 nan 8.270 nan 0.000 0.454 206 Y N 5.058 125.289 120.300 -0.115 0.000 2.530 206 Y HA 0.118 4.670 4.550 0.003 0.000 0.340 206 Y C -0.153 175.714 175.900 -0.056 0.000 1.247 206 Y CA -0.583 57.431 58.100 -0.142 0.000 1.727 206 Y CB -0.402 37.940 38.460 -0.197 0.000 1.613 206 Y HN 0.327 nan 8.280 nan 0.000 0.464 207 V N 1.190 120.923 119.914 -0.302 0.000 3.155 207 V HA 0.488 4.609 4.120 0.003 0.000 0.313 207 V C -0.059 175.808 176.094 -0.378 0.000 1.162 207 V CA -1.617 60.459 62.300 -0.373 0.000 1.048 207 V CB 1.551 33.107 31.823 -0.444 0.000 1.092 207 V HN 0.445 nan 8.190 nan 0.000 0.447 208 E N 0.893 120.909 120.200 -0.306 0.000 2.585 208 E HA 0.293 4.645 4.350 0.003 0.000 0.252 208 E C 0.987 177.465 176.600 -0.204 0.000 0.981 208 E CA 1.086 57.360 56.400 -0.210 0.000 0.943 208 E CB -0.175 29.442 29.700 -0.137 0.000 0.923 208 E HN 1.913 nan 8.360 nan 0.000 0.486 209 G N 4.555 113.206 108.800 -0.248 0.000 2.272 209 G HA2 -0.331 3.631 3.960 0.003 0.000 0.280 209 G HA3 -0.331 3.631 3.960 0.003 0.000 0.280 209 G C 0.228 174.826 174.900 -0.503 0.000 1.067 209 G CA 0.607 45.426 45.100 -0.469 0.000 0.902 209 G HN 0.850 nan 8.290 nan 0.000 0.500 210 Y N -2.378 117.589 120.300 -0.556 0.000 2.365 210 Y HA -0.008 4.544 4.550 0.003 0.000 0.287 210 Y C 2.259 178.011 175.900 -0.246 0.000 1.162 210 Y CA 1.375 59.254 58.100 -0.369 0.000 1.260 210 Y CB -0.804 37.449 38.460 -0.344 0.000 0.976 210 Y HN 0.299 nan 8.280 nan 0.000 0.548 211 F N 0.913 120.479 119.950 -0.641 0.000 2.192 211 F HA -0.190 4.339 4.527 0.003 0.000 0.301 211 F C 1.610 177.367 175.800 -0.071 0.000 1.079 211 F CA 1.078 58.860 58.000 -0.364 0.000 1.303 211 F CB -0.496 38.163 39.000 -0.568 0.000 1.024 211 F HN 0.101 nan 8.300 nan 0.000 0.494 212 L N -0.393 120.892 121.223 0.103 0.000 2.741 212 L HA 0.122 4.464 4.340 0.003 0.000 0.237 212 L C 0.051 176.903 176.870 -0.030 0.000 1.178 212 L CA 0.105 55.007 54.840 0.104 0.000 0.973 212 L CB -0.358 41.776 42.059 0.125 0.000 1.255 212 L HN 0.229 nan 8.230 nan 0.000 0.498 213 H N 1.236 120.385 119.070 0.131 0.000 2.355 213 H HA 0.270 4.828 4.556 0.003 0.000 0.232 213 H C -2.344 173.074 175.328 0.149 0.000 1.422 213 H CA -1.562 54.569 56.048 0.139 0.000 1.261 213 H CB 0.632 30.394 29.762 -0.000 0.000 1.595 213 H HN 0.075 nan 8.280 nan 0.000 0.529 214 P HA 0.000 nan 4.420 nan 0.000 0.271 214 P C 1.198 178.679 177.300 0.301 0.000 1.218 214 P CA -0.018 63.261 63.100 0.299 0.000 0.780 214 P CB 1.446 33.359 31.700 0.355 0.000 0.901 215 T N -2.004 112.637 114.554 0.145 0.000 3.057 215 T HA 0.257 4.609 4.350 0.003 0.000 0.254 215 T C 1.317 175.779 174.700 -0.396 0.000 1.094 215 T CA 0.846 62.941 62.100 -0.008 0.000 1.088 215 T CB -0.627 68.241 68.868 -0.000 0.000 0.934 215 T HN 0.632 nan 8.240 nan 0.000 0.497 216 G N 0.686 109.158 108.800 -0.547 0.000 2.218 216 G HA2 -0.142 3.820 3.960 0.003 0.000 0.216 216 G HA3 -0.142 3.820 3.960 0.003 0.000 0.216 216 G C -0.282 174.577 174.900 -0.068 0.000 0.994 216 G CA -0.065 44.378 45.100 -1.096 0.000 0.637 216 G HN 0.703 nan 8.290 nan 0.000 0.505 217 L N 1.681 123.072 121.223 0.279 0.000 2.307 217 L HA 0.824 5.166 4.340 0.003 0.000 0.282 217 L C -0.128 177.011 176.870 0.448 0.000 1.051 217 L CA -0.613 54.516 54.840 0.481 0.000 0.804 217 L CB 1.115 43.471 42.059 0.495 0.000 1.197 217 L HN 0.259 nan 8.230 nan 0.000 0.431 218 E N 5.404 125.928 120.200 0.540 0.000 2.293 218 E HA 0.585 4.937 4.350 0.003 0.000 0.270 218 E C -1.535 175.463 176.600 0.663 0.000 0.879 218 E CA -0.721 55.989 56.400 0.517 0.000 0.756 218 E CB 2.430 32.320 29.700 0.317 0.000 1.208 218 E HN 0.476 nan 8.360 nan 0.000 0.428 219 L N 2.470 124.029 121.223 0.559 0.000 2.386 219 L HA 0.456 4.798 4.340 0.003 0.000 0.271 219 L C -1.127 175.697 176.870 -0.077 0.000 0.993 219 L CA -1.113 53.897 54.840 0.284 0.000 0.819 219 L CB 1.568 43.711 42.059 0.139 0.000 1.294 219 L HN 0.297 nan 8.230 nan 0.000 0.414 220 L N 4.148 125.010 121.223 -0.601 0.000 2.264 220 L HA 0.572 4.914 4.340 0.003 0.000 0.289 220 L C -0.689 175.918 176.870 -0.439 0.000 1.044 220 L CA -0.126 54.136 54.840 -0.963 0.000 0.807 220 L CB 1.515 42.680 42.059 -1.490 0.000 1.192 220 L HN 0.294 nan 8.230 nan 0.000 0.425 221 V N 4.419 124.143 119.914 -0.316 0.000 2.448 221 V HA 0.339 4.461 4.120 0.003 0.000 0.295 221 V C -0.576 175.436 176.094 -0.136 0.000 1.025 221 V CA -0.785 61.401 62.300 -0.190 0.000 0.859 221 V CB 1.613 33.317 31.823 -0.198 0.000 0.988 221 V HN 0.670 nan 8.190 nan 0.000 0.431 222 D N 3.532 123.847 120.400 -0.141 0.000 2.365 222 D HA 0.194 4.836 4.640 0.003 0.000 0.237 222 D C 0.516 176.636 176.300 -0.299 0.000 1.190 222 D CA -0.178 53.714 54.000 -0.180 0.000 0.867 222 D CB 0.497 41.226 40.800 -0.118 0.000 1.050 222 D HN 0.842 nan 8.370 nan 0.000 0.491 223 H N 0.870 119.531 119.070 -0.681 0.000 2.467 223 H HA 0.450 5.008 4.556 0.003 0.000 0.275 223 H C 1.343 176.228 175.328 -0.737 0.000 1.131 223 H CA -0.697 54.456 56.048 -1.492 0.000 0.989 223 H CB 0.755 29.294 29.762 -2.038 0.000 1.696 223 H HN 0.319 nan 8.280 nan 0.000 0.574 224 G N 0.825 109.404 108.800 -0.369 0.000 2.394 224 G HA2 -0.181 3.781 3.960 0.003 0.000 0.215 224 G HA3 -0.181 3.781 3.960 0.003 0.000 0.215 224 G C 0.838 175.864 174.900 0.210 0.000 1.165 224 G CA 0.367 45.406 45.100 -0.103 0.000 0.784 224 G HN 0.534 nan 8.290 nan 0.000 0.535 225 S N 0.366 116.285 115.700 0.364 0.000 2.572 225 S HA 0.267 4.739 4.470 0.003 0.000 0.279 225 S C 1.445 176.367 174.600 0.536 0.000 1.341 225 S CA 0.463 58.922 58.200 0.432 0.000 1.043 225 S CB 1.355 64.839 63.200 0.474 0.000 0.887 225 S HN 0.404 nan 8.310 nan 0.000 0.516 226 T N -2.529 112.222 114.554 0.329 0.000 3.113 226 T HA -0.005 4.347 4.350 0.003 0.000 0.263 226 T C 0.196 174.951 174.700 0.090 0.000 1.143 226 T CA 0.615 62.875 62.100 0.266 0.000 1.090 226 T CB -0.425 68.510 68.868 0.111 0.000 0.922 226 T HN 0.659 nan 8.240 nan 0.000 0.521 227 D N 1.008 121.412 120.400 0.006 0.000 2.443 227 D HA 0.576 5.217 4.640 0.003 0.000 0.221 227 D C 1.127 177.141 176.300 -0.477 0.000 1.097 227 D CA -0.374 53.472 54.000 -0.257 0.000 0.865 227 D CB 1.116 41.660 40.800 -0.427 0.000 1.034 227 D HN 0.149 nan 8.370 nan 0.000 0.511 228 A N 3.163 125.520 122.820 -0.771 0.000 2.070 228 A HA -0.011 4.311 4.320 0.003 0.000 0.220 228 A C 2.028 179.122 177.584 -0.816 0.000 1.159 228 A CA 1.447 52.536 52.037 -1.579 0.000 0.656 228 A CB -0.528 17.591 19.000 -1.468 0.000 0.800 228 A HN 0.620 nan 8.150 nan 0.000 0.453 229 G N -1.261 107.249 108.800 -0.485 0.000 2.470 229 G HA2 -0.213 3.749 3.960 0.003 0.000 0.220 229 G HA3 -0.213 3.749 3.960 0.003 0.000 0.220 229 G C 1.215 176.057 174.900 -0.096 0.000 1.121 229 G CA 1.106 46.051 45.100 -0.258 0.000 0.766 229 G HN 0.833 nan 8.290 nan 0.000 0.553 230 H N -2.143 116.911 119.070 -0.026 0.000 2.548 230 H HA 0.085 4.643 4.556 0.003 0.000 0.268 230 H C 0.404 175.886 175.328 0.257 0.000 0.975 230 H CA -0.770 55.340 56.048 0.104 0.000 1.195 230 H CB 0.269 30.107 29.762 0.126 0.000 1.397 230 H HN 0.247 nan 8.280 nan 0.000 0.572 231 W N 1.623 122.997 121.300 0.123 0.000 2.181 231 W HA 0.432 5.094 4.660 0.003 0.000 0.335 231 W C 0.173 176.714 176.519 0.037 0.000 1.310 231 W CA -0.966 56.427 57.345 0.080 0.000 1.226 231 W CB -0.082 29.421 29.460 0.073 0.000 1.155 231 W HN -0.016 nan 8.180 nan 0.000 0.565 232 A N 2.036 124.980 122.820 0.208 0.000 2.515 232 A HA 0.643 4.965 4.320 0.003 0.000 0.298 232 A C -1.355 176.236 177.584 0.012 0.000 1.059 232 A CA -0.841 51.251 52.037 0.091 0.000 0.698 232 A CB 1.187 20.226 19.000 0.063 0.000 1.289 232 A HN 0.255 nan 8.150 nan 0.000 0.404 233 V N 2.535 122.443 119.914 -0.010 0.000 2.421 233 V HA 0.091 4.213 4.120 0.003 0.000 0.271 233 V C 1.201 177.270 176.094 -0.041 0.000 1.031 233 V CA 1.106 63.377 62.300 -0.048 0.000 1.032 233 V CB 0.150 31.956 31.823 -0.029 0.000 1.009 233 V HN 1.080 nan 8.190 nan 0.000 0.477 234 E N 3.451 123.600 120.200 -0.085 0.000 2.460 234 E HA 0.218 4.570 4.350 0.003 0.000 0.200 234 E C 0.545 177.124 176.600 -0.035 0.000 1.011 234 E CA -0.231 56.130 56.400 -0.064 0.000 0.912 234 E CB 0.715 30.360 29.700 -0.091 0.000 0.953 234 E HN 0.573 nan 8.360 nan 0.000 0.494 235 Q N 0.310 120.084 119.800 -0.042 0.000 2.472 235 Q HA 0.426 4.768 4.340 0.003 0.000 0.281 235 Q C -2.192 173.941 176.000 0.221 0.000 0.997 235 Q CA -0.782 55.089 55.803 0.113 0.000 0.828 235 Q CB 2.560 31.387 28.738 0.149 0.000 1.443 235 Q HN 0.055 nan 8.270 nan 0.000 0.390 236 V N 2.390 122.570 119.914 0.442 0.000 2.623 236 V HA 0.613 4.735 4.120 0.003 0.000 0.304 236 V C -1.462 175.027 176.094 0.658 0.000 1.054 236 V CA -0.651 61.943 62.300 0.489 0.000 0.882 236 V CB 1.769 33.774 31.823 0.304 0.000 1.002 236 V HN 0.842 nan 8.190 nan 0.000 0.424 237 W N 6.107 127.652 121.300 0.409 0.000 2.532 237 W HA 0.715 5.377 4.660 0.003 0.000 0.321 237 W C -1.702 174.931 176.519 0.191 0.000 1.037 237 W CA -0.722 56.681 57.345 0.097 0.000 1.220 237 W CB 1.508 30.805 29.460 -0.271 0.000 1.361 237 W HN 0.607 nan 8.180 nan 0.000 0.468 238 Y N 7.314 127.392 120.300 -0.371 0.000 2.354 238 Y HA 0.239 4.791 4.550 0.003 0.000 0.330 238 Y C 0.270 175.687 175.900 -0.805 0.000 1.011 238 Y CA -1.292 56.558 58.100 -0.418 0.000 1.099 238 Y CB 0.970 39.314 38.460 -0.192 0.000 1.179 238 Y HN 0.637 nan 8.280 nan 0.000 0.442 239 N N 4.198 121.925 118.700 -1.622 0.000 2.714 239 N HA -0.194 4.548 4.740 0.003 0.000 0.252 239 N C 0.646 175.663 175.510 -0.821 0.000 1.014 239 N CA 2.164 54.560 53.050 -1.090 0.000 0.735 239 N CB -1.113 36.736 38.487 -1.063 0.000 0.924 239 N HN 1.610 nan 8.380 nan 0.000 0.540 240 G N -1.613 106.398 108.800 -1.316 0.000 2.179 240 G HA2 -0.259 3.703 3.960 0.003 0.000 0.220 240 G HA3 -0.259 3.703 3.960 0.003 0.000 0.220 240 G C -0.090 174.472 174.900 -0.562 0.000 0.990 240 G CA 0.441 45.215 45.100 -0.544 0.000 0.646 240 G HN 0.616 nan 8.290 nan 0.000 0.517 241 K N -0.573 119.296 120.400 -0.884 0.000 2.426 241 K HA 0.662 4.984 4.320 0.003 0.000 0.251 241 K C -1.004 175.181 176.600 -0.691 0.000 0.941 241 K CA -0.890 55.042 56.287 -0.591 0.000 0.808 241 K CB 1.610 33.826 32.500 -0.472 0.000 1.265 241 K HN -0.013 nan 8.250 nan 0.000 0.432 242 F N 0.888 120.672 119.950 -0.277 0.000 2.379 242 F HA 0.254 4.783 4.527 0.003 0.000 0.332 242 F C 0.783 176.369 175.800 -0.356 0.000 1.096 242 F CA 0.128 58.085 58.000 -0.072 0.000 1.105 242 F CB 0.612 39.670 39.000 0.096 0.000 1.189 242 F HN 0.566 nan 8.300 nan 0.000 0.515 243 Y N -0.215 120.248 120.300 0.272 0.000 2.499 243 Y HA 0.288 4.840 4.550 0.003 0.000 0.253 243 Y C 1.533 177.503 175.900 0.118 0.000 1.105 243 Y CA 0.302 58.483 58.100 0.135 0.000 1.240 243 Y CB 0.909 39.397 38.460 0.046 0.000 1.289 243 Y HN 0.789 nan 8.280 nan 0.000 0.534 244 G N 0.827 109.792 108.800 0.275 0.000 3.329 244 G HA2 -0.318 3.644 3.960 0.003 0.000 0.220 244 G HA3 -0.318 3.644 3.960 0.003 0.000 0.220 244 G C 0.367 175.346 174.900 0.133 0.000 1.358 244 G CA 0.396 45.596 45.100 0.167 0.000 0.856 244 G HN 0.709 nan 8.290 nan 0.000 0.551 245 S N -0.193 115.580 115.700 0.123 0.000 2.607 245 S HA 0.753 5.224 4.470 0.003 0.000 0.273 245 S C -2.141 172.476 174.600 0.028 0.000 1.148 245 S CA -0.282 57.957 58.200 0.065 0.000 0.833 245 S CB 2.396 65.618 63.200 0.036 0.000 1.130 245 S HN 0.080 nan 8.310 nan 0.000 0.470 246 P HA 0.044 nan 4.420 nan 0.000 0.217 246 P C 1.796 179.022 177.300 -0.123 0.000 1.150 246 P CA 2.316 65.365 63.100 -0.085 0.000 0.832 246 P CB -0.271 31.392 31.700 -0.062 0.000 0.787 247 E N 0.739 120.899 120.200 -0.066 0.000 2.077 247 E HA -0.279 4.073 4.350 0.003 0.000 0.193 247 E C 2.016 178.583 176.600 -0.056 0.000 0.989 247 E CA 1.754 58.120 56.400 -0.058 0.000 0.800 247 E CB -1.554 28.130 29.700 -0.027 0.000 0.746 247 E HN 0.500 nan 8.360 nan 0.000 0.452 248 E N -0.510 119.677 120.200 -0.021 0.000 2.051 248 E HA -0.152 4.200 4.350 0.003 0.000 0.192 248 E C 2.207 178.780 176.600 -0.045 0.000 0.991 248 E CA 1.340 57.751 56.400 0.018 0.000 0.799 248 E CB -0.197 29.564 29.700 0.100 0.000 0.748 248 E HN 0.399 nan 8.360 nan 0.000 0.449 249 L N 0.990 122.105 121.223 -0.180 0.000 2.046 249 L HA -0.094 4.248 4.340 0.003 0.000 0.208 249 L C 2.282 178.884 176.870 -0.446 0.000 1.077 249 L CA 2.226 56.736 54.840 -0.550 0.000 0.747 249 L CB -0.816 40.753 42.059 -0.816 0.000 0.896 249 L HN 0.218 nan 8.230 nan 0.000 0.432 250 A N -0.267 122.359 122.820 -0.324 0.000 1.902 250 A HA -0.209 4.113 4.320 0.003 0.000 0.217 250 A C 2.655 180.201 177.584 -0.063 0.000 1.181 250 A CA 2.617 54.536 52.037 -0.198 0.000 0.623 250 A CB -0.939 17.971 19.000 -0.149 0.000 0.818 250 A HN 0.488 nan 8.150 nan 0.000 0.443 251 R N 0.231 120.693 120.500 -0.063 0.000 2.070 251 R HA -0.106 4.236 4.340 0.003 0.000 0.233 251 R C 2.203 178.493 176.300 -0.017 0.000 1.137 251 R CA 1.965 58.049 56.100 -0.027 0.000 0.945 251 R CB -1.197 29.095 30.300 -0.013 0.000 0.845 251 R HN 0.691 nan 8.270 nan 0.000 0.430 252 K N -0.991 119.402 120.400 -0.011 0.000 2.097 252 K HA -0.150 4.172 4.320 0.003 0.000 0.206 252 K C 2.145 178.762 176.600 0.029 0.000 1.049 252 K CA 1.589 57.892 56.287 0.026 0.000 0.933 252 K CB -0.355 32.200 32.500 0.093 0.000 0.717 252 K HN 0.545 nan 8.250 nan 0.000 0.442 253 Y N 1.678 121.893 120.300 -0.141 0.000 2.114 253 Y HA -0.216 4.336 4.550 0.003 0.000 0.284 253 Y C 2.258 178.140 175.900 -0.030 0.000 1.143 253 Y CA 1.271 59.316 58.100 -0.091 0.000 1.135 253 Y CB -0.627 37.750 38.460 -0.139 0.000 0.980 253 Y HN 0.029 nan 8.280 nan 0.000 0.499 254 A N 0.092 122.808 122.820 -0.174 0.000 1.940 254 A HA -0.200 4.122 4.320 0.003 0.000 0.219 254 A C 1.674 179.148 177.584 -0.183 0.000 1.176 254 A CA 2.038 53.937 52.037 -0.230 0.000 0.631 254 A CB -0.829 18.122 19.000 -0.080 0.000 0.814 254 A HN 0.546 nan 8.150 nan 0.000 0.446 255 D N -1.026 119.312 120.400 -0.104 0.000 2.352 255 D HA 0.260 4.902 4.640 0.003 0.000 0.232 255 D C 1.324 177.587 176.300 -0.062 0.000 1.055 255 D CA 1.037 54.999 54.000 -0.064 0.000 0.891 255 D CB -0.291 40.495 40.800 -0.023 0.000 0.897 255 D HN 0.622 nan 8.370 nan 0.000 0.529 256 G N 1.274 110.011 108.800 -0.105 0.000 2.160 256 G HA2 -0.348 3.614 3.960 0.003 0.000 0.251 256 G HA3 -0.348 3.614 3.960 0.003 0.000 0.251 256 G C 0.601 175.507 174.900 0.009 0.000 1.008 256 G CA 0.096 45.156 45.100 -0.068 0.000 0.724 256 G HN 0.415 nan 8.290 nan 0.000 0.514 257 E N -0.879 119.343 120.200 0.036 0.000 2.451 257 E HA 0.363 4.714 4.350 0.003 0.000 0.194 257 E C 0.192 176.873 176.600 0.134 0.000 1.027 257 E CA -0.050 56.396 56.400 0.077 0.000 0.914 257 E CB 1.026 30.770 29.700 0.074 0.000 1.054 257 E HN 0.317 nan 8.360 nan 0.000 0.461 258 V N 1.222 121.235 119.914 0.165 0.000 2.444 258 V HA 0.251 4.373 4.120 0.003 0.000 0.294 258 V C -0.044 176.196 176.094 0.244 0.000 1.022 258 V CA -0.669 61.770 62.300 0.231 0.000 0.850 258 V CB 1.249 33.211 31.823 0.233 0.000 0.992 258 V HN 0.226 nan 8.190 nan 0.000 0.426 259 D N 4.247 124.778 120.400 0.218 0.000 2.398 259 D HA 0.429 5.070 4.640 0.003 0.000 0.250 259 D C 0.188 176.650 176.300 0.270 0.000 1.287 259 D CA 0.192 54.309 54.000 0.195 0.000 0.992 259 D CB 0.822 41.702 40.800 0.133 0.000 1.071 259 D HN 0.733 nan 8.370 nan 0.000 0.514 260 V N -0.523 119.574 119.914 0.305 0.000 2.863 260 V HA 0.743 4.865 4.120 0.003 0.000 0.307 260 V C 0.284 176.540 176.094 0.270 0.000 1.061 260 V CA -0.743 61.784 62.300 0.378 0.000 1.024 260 V CB 1.807 33.814 31.823 0.305 0.000 1.049 260 V HN 0.377 nan 8.190 nan 0.000 0.471 261 V N 4.063 124.148 119.914 0.285 0.000 2.334 261 V HA 0.330 4.452 4.120 0.003 0.000 0.281 261 V C 0.063 176.226 176.094 0.115 0.000 1.016 261 V CA -0.489 61.944 62.300 0.222 0.000 0.832 261 V CB 1.219 33.243 31.823 0.334 0.000 0.999 261 V HN 0.774 nan 8.190 nan 0.000 0.439 262 V N 6.926 126.896 119.914 0.093 0.000 2.427 262 V HA 0.292 4.414 4.120 0.003 0.000 0.268 262 V C 0.277 176.398 176.094 0.045 0.000 1.046 262 V CA -0.236 62.087 62.300 0.038 0.000 0.970 262 V CB 0.866 32.723 31.823 0.057 0.000 1.001 262 V HN 0.616 nan 8.190 nan 0.000 0.476 263 L N 3.766 124.986 121.223 -0.005 0.000 2.371 263 L HA 0.524 4.866 4.340 0.003 0.000 0.272 263 L C 0.954 177.876 176.870 0.087 0.000 1.124 263 L CA -0.141 54.712 54.840 0.022 0.000 0.816 263 L CB 0.395 42.434 42.059 -0.033 0.000 1.129 263 L HN 0.813 nan 8.230 nan 0.000 0.448 264 E N 1.610 121.901 120.200 0.151 0.000 2.409 264 E HA 0.008 4.360 4.350 0.003 0.000 0.257 264 E C -0.394 176.282 176.600 0.128 0.000 1.150 264 E CA -0.560 55.922 56.400 0.137 0.000 0.942 264 E CB 0.437 30.230 29.700 0.155 0.000 0.979 264 E HN 0.677 nan 8.360 nan 0.000 0.447 265 D N 0.836 121.308 120.400 0.119 0.000 2.371 265 D HA 0.117 4.759 4.640 0.003 0.000 0.256 265 D C -1.330 175.049 176.300 0.132 0.000 1.193 265 D CA -1.673 52.406 54.000 0.131 0.000 0.881 265 D CB 1.446 42.307 40.800 0.103 0.000 1.143 265 D HN 0.242 nan 8.370 nan 0.000 0.473 266 P HA 0.141 nan 4.420 nan 0.000 0.252 266 P C 0.247 177.594 177.300 0.078 0.000 1.218 266 P CA 0.182 63.346 63.100 0.107 0.000 0.807 266 P CB 0.722 32.442 31.700 0.033 0.000 1.072 279 P HA 0.535 nan 4.420 nan 0.000 0.271 279 P C -2.522 174.794 177.300 0.026 0.000 1.218 279 P CA -0.876 62.237 63.100 0.021 0.000 0.780 279 P CB 0.375 32.096 31.700 0.034 0.000 0.901 280 P HA 0.054 nan 4.420 nan 0.000 0.268 280 P C -0.388 176.934 177.300 0.037 0.000 1.208 280 P CA -0.458 62.652 63.100 0.017 0.000 0.777 280 P CB 0.250 31.956 31.700 0.010 0.000 0.875 281 L N 2.881 124.111 121.223 0.011 0.000 2.483 281 L HA 0.044 4.386 4.340 0.003 0.000 0.276 281 L C 1.338 178.193 176.870 -0.025 0.000 1.213 281 L CA 0.197 55.034 54.840 -0.005 0.000 0.843 281 L CB -0.544 41.462 42.059 -0.088 0.000 1.107 281 L HN 0.451 nan 8.230 nan 0.000 0.487 282 F N 0.373 120.319 119.950 -0.006 0.000 2.202 282 F HA -0.137 4.392 4.527 0.003 0.000 0.301 282 F C 1.919 177.702 175.800 -0.028 0.000 1.082 282 F CA 1.059 59.028 58.000 -0.051 0.000 1.313 282 F CB -1.205 37.672 39.000 -0.206 0.000 1.024 282 F HN 0.542 nan 8.300 nan 0.000 0.495 283 S N -0.180 115.078 115.700 -0.737 0.000 2.650 283 S HA 0.123 4.595 4.470 0.003 0.000 0.219 283 S C 0.749 175.348 174.600 -0.002 0.000 0.960 283 S CA -0.175 57.822 58.200 -0.338 0.000 0.925 283 S CB -1.208 61.727 63.200 -0.442 0.000 0.775 283 S HN 0.553 nan 8.310 nan 0.000 0.525 284 S N 0.377 116.055 115.700 -0.036 0.000 2.646 284 S HA 0.448 4.920 4.470 0.003 0.000 0.276 284 S C 0.105 174.728 174.600 0.037 0.000 1.222 284 S CA -0.595 57.640 58.200 0.058 0.000 1.014 284 S CB 0.543 63.754 63.200 0.018 0.000 0.991 284 S HN 0.342 nan 8.310 nan 0.000 0.533 285 H N 0.254 119.315 119.070 -0.014 0.000 2.539 285 H HA 0.306 4.864 4.556 0.003 0.000 0.267 285 H C 0.065 175.365 175.328 -0.047 0.000 0.982 285 H CA 0.072 56.094 56.048 -0.043 0.000 1.146 285 H CB 0.017 29.745 29.762 -0.056 0.000 1.382 285 H HN 0.526 nan 8.280 nan 0.000 0.577 286 K N 2.028 122.466 120.400 0.064 0.000 2.448 286 K HA 0.062 4.383 4.320 0.003 0.000 0.278 286 K C -2.400 174.192 176.600 -0.013 0.000 1.009 286 K CA -1.544 54.752 56.287 0.014 0.000 0.995 286 K CB 0.194 32.694 32.500 0.001 0.000 0.917 286 K HN 0.059 nan 8.250 nan 0.000 0.481 287 P HA 0.000 nan 4.420 nan 0.000 0.269 287 P C -0.799 176.461 177.300 -0.066 0.000 1.209 287 P CA 0.110 63.171 63.100 -0.065 0.000 0.776 287 P CB 0.625 32.277 31.700 -0.080 0.000 0.876 288 R N 0.727 121.174 120.500 -0.088 0.000 2.716 288 R HA 0.707 5.049 4.340 0.003 0.000 0.271 288 R C -0.335 175.894 176.300 -0.118 0.000 1.028 288 R CA -0.318 55.735 56.100 -0.079 0.000 0.883 288 R CB 0.469 30.746 30.300 -0.039 0.000 1.250 288 R HN 0.723 nan 8.270 nan 0.000 0.465 289 G N 0.705 109.445 108.800 -0.100 0.000 2.829 289 G HA2 -0.107 3.855 3.960 0.003 0.000 0.628 289 G HA3 -0.107 3.855 3.960 0.003 0.000 0.628 289 G C -1.612 173.182 174.900 -0.176 0.000 1.412 289 G CA -0.124 44.904 45.100 -0.119 0.000 0.864 289 G HN 0.763 nan 8.290 nan 0.000 0.544 290 D N -0.355 119.951 120.400 -0.157 0.000 2.964 290 D HA 0.473 5.114 4.640 0.003 0.000 0.234 290 D C -0.249 176.002 176.300 -0.081 0.000 1.223 290 D CA -0.447 53.459 54.000 -0.157 0.000 0.889 290 D CB 1.270 42.035 40.800 -0.059 0.000 1.609 290 D HN 0.162 nan 8.370 nan 0.000 0.523 291 F N 2.076 122.020 119.950 -0.011 0.000 2.506 291 F HA 0.132 4.661 4.527 0.004 0.000 0.351 291 F C -0.534 175.259 175.800 -0.011 0.000 1.136 291 F CA -1.656 56.337 58.000 -0.012 0.000 1.298 291 F CB -0.127 38.865 39.000 -0.013 0.000 1.145 291 F HN 0.230 nan 8.300 nan 0.000 0.593 292 P HA -0.026 nan 4.420 nan 0.000 0.221 292 P C -0.008 177.336 177.300 0.073 0.000 1.150 292 P CA 0.957 64.116 63.100 0.097 0.000 0.800 292 P CB -0.002 31.735 31.700 0.060 0.000 0.787 293 S N 1.496 117.241 115.700 0.076 0.000 2.577 293 S HA 0.547 5.019 4.470 0.003 0.000 0.294 293 S C -2.390 172.253 174.600 0.072 0.000 1.161 293 S CA -1.525 56.699 58.200 0.039 0.000 1.143 293 S CB -0.152 63.039 63.200 -0.014 0.000 0.991 293 S HN -0.105 nan 8.310 nan 0.000 0.475 294 P HA 0.284 nan 4.420 nan 0.000 0.265 294 P C -0.808 176.534 177.300 0.069 0.000 1.193 294 P CA 0.005 63.155 63.100 0.084 0.000 0.765 294 P CB 0.411 32.139 31.700 0.047 0.000 0.823 295 I N 1.855 122.480 120.570 0.093 0.000 2.390 295 I HA 0.259 4.431 4.170 0.003 0.000 0.283 295 I C 1.439 177.583 176.117 0.044 0.000 1.016 295 I CA -0.370 60.969 61.300 0.064 0.000 1.151 295 I CB 0.918 38.970 38.000 0.087 0.000 1.293 295 I HN 0.566 nan 8.210 nan 0.000 0.458 296 H N 5.386 124.470 119.070 0.023 0.000 2.652 296 H HA 0.550 5.107 4.556 0.003 0.000 0.274 296 H C 0.329 175.659 175.328 0.003 0.000 1.021 296 H CA 0.482 56.537 56.048 0.011 0.000 1.187 296 H CB 0.256 30.022 29.762 0.007 0.000 1.505 296 H HN 0.418 nan 8.280 nan 0.000 0.530 297 V N -1.797 118.119 119.914 0.004 0.000 3.074 297 V HA 0.700 4.822 4.120 0.003 0.000 0.314 297 V C 0.301 176.393 176.094 -0.005 0.000 1.117 297 V CA -0.595 61.703 62.300 -0.003 0.000 1.014 297 V CB 1.498 33.319 31.823 -0.003 0.000 1.057 297 V HN 0.591 nan 8.190 nan 0.000 0.438 298 S N 1.507 117.201 115.700 -0.010 0.000 2.568 298 S HA 0.529 5.001 4.470 0.003 0.000 0.282 298 S C 0.631 175.225 174.600 -0.010 0.000 1.338 298 S CA 0.075 58.267 58.200 -0.014 0.000 1.045 298 S CB 0.515 63.704 63.200 -0.017 0.000 0.873 298 S HN 1.795 nan 8.310 nan 0.000 0.516 299 G N 1.440 110.234 108.800 -0.011 0.000 2.621 299 G HA2 0.526 4.488 3.960 0.003 0.000 0.271 299 G HA3 0.526 4.488 3.960 0.003 0.000 0.271 299 G C -2.268 172.627 174.900 -0.009 0.000 1.236 299 G CA -1.394 43.700 45.100 -0.010 0.000 0.958 299 G HN 0.680 nan 8.290 nan 0.000 0.512 300 P HA 0.517 nan 4.420 nan 0.000 0.269 300 P C -0.148 177.151 177.300 -0.001 0.000 1.215 300 P CA -0.103 62.996 63.100 -0.002 0.000 0.780 300 P CB 0.530 32.230 31.700 0.000 0.000 0.898 301 R N 0.974 121.476 120.500 0.004 0.000 2.771 301 R HA 0.547 4.889 4.340 0.003 0.000 0.274 301 R C -0.794 175.515 176.300 0.015 0.000 0.987 301 R CA -0.835 55.268 56.100 0.005 0.000 0.908 301 R CB 0.205 30.509 30.300 0.007 0.000 1.213 301 R HN 0.410 nan 8.270 nan 0.000 0.468 302 L N 1.518 122.751 121.223 0.016 0.000 2.380 302 L HA 0.550 4.892 4.340 0.003 0.000 0.273 302 L C 0.602 177.493 176.870 0.034 0.000 1.138 302 L CA -0.011 54.847 54.840 0.031 0.000 0.832 302 L CB 1.586 43.664 42.059 0.032 0.000 1.124 302 L HN 0.706 nan 8.230 nan 0.000 0.454 303 V N 1.382 121.321 119.914 0.041 0.000 2.815 303 V HA 0.629 4.751 4.120 0.003 0.000 0.314 303 V C -0.478 175.645 176.094 0.048 0.000 1.064 303 V CA -0.705 61.617 62.300 0.036 0.000 0.952 303 V CB 1.746 33.582 31.823 0.022 0.000 1.020 303 V HN 0.815 nan 8.190 nan 0.000 0.439 304 Q N 3.100 122.922 119.800 0.036 0.000 3.230 304 Q HA 0.388 4.730 4.340 0.003 0.000 0.303 304 Q C -2.027 173.966 176.000 -0.012 0.000 0.884 304 Q CA -1.488 54.343 55.803 0.046 0.000 0.859 304 Q CB 1.818 30.596 28.738 0.067 0.000 1.432 304 Q HN 0.776 nan 8.270 nan 0.000 0.403 305 P HA -0.159 nan 4.420 nan 0.000 0.222 305 P C 0.377 177.471 177.300 -0.344 0.000 1.147 305 P CA 1.106 64.062 63.100 -0.239 0.000 0.790 305 P CB 0.236 31.721 31.700 -0.357 0.000 0.780 306 H N -0.808 118.275 119.070 0.021 0.000 2.539 306 H HA 0.283 4.841 4.556 0.003 0.000 0.269 306 H C 1.458 176.783 175.328 -0.005 0.000 0.980 306 H CA 0.870 56.926 56.048 0.013 0.000 1.152 306 H CB -0.025 29.751 29.762 0.023 0.000 1.407 306 H HN 0.181 nan 8.280 nan 0.000 0.564 307 G N 1.693 110.522 108.800 0.048 0.000 2.782 307 G HA2 -0.216 3.746 3.960 0.003 0.000 0.228 307 G HA3 -0.216 3.746 3.960 0.003 0.000 0.228 307 G C -2.657 172.217 174.900 -0.042 0.000 1.372 307 G CA -1.055 44.042 45.100 -0.005 0.000 0.862 307 G HN 0.094 nan 8.290 nan 0.000 0.547 308 P HA 0.268 nan 4.420 nan 0.000 0.266 308 P C 0.701 177.826 177.300 -0.293 0.000 1.195 308 P CA 0.024 62.863 63.100 -0.435 0.000 0.768 308 P CB 0.411 31.499 31.700 -1.020 0.000 0.838 309 R N 1.620 122.038 120.500 -0.136 0.000 2.312 309 R HA 0.158 4.500 4.340 0.003 0.000 0.205 309 R C 0.626 177.029 176.300 0.171 0.000 0.904 309 R CA 0.190 56.328 56.100 0.063 0.000 1.052 309 R CB -0.202 30.226 30.300 0.213 0.000 1.014 309 R HN 0.513 nan 8.270 nan 0.000 0.503 310 F N 0.124 120.179 119.950 0.176 0.000 2.378 310 F HA 0.485 5.014 4.527 0.003 0.000 0.325 310 F C -0.027 175.809 175.800 0.060 0.000 1.097 310 F CA -1.385 56.707 58.000 0.152 0.000 1.079 310 F CB 0.607 39.620 39.000 0.022 0.000 1.240 310 F HN -0.394 nan 8.300 nan 0.000 0.519 311 R N 2.671 123.296 120.500 0.210 0.000 2.320 311 R HA 0.516 4.858 4.340 0.003 0.000 0.319 311 R C -1.632 174.757 176.300 0.148 0.000 0.969 311 R CA -0.861 55.293 56.100 0.090 0.000 0.857 311 R CB 1.553 31.879 30.300 0.043 0.000 1.160 311 R HN 0.705 nan 8.270 nan 0.000 0.491 312 L N 2.043 123.380 121.223 0.189 0.000 2.287 312 L HA 0.393 4.735 4.340 0.003 0.000 0.287 312 L C -0.695 176.240 176.870 0.109 0.000 1.022 312 L CA 0.050 55.002 54.840 0.187 0.000 0.814 312 L CB 1.328 43.574 42.059 0.312 0.000 1.217 312 L HN 0.617 nan 8.230 nan 0.000 0.420 313 E N 4.241 124.481 120.200 0.068 0.000 2.265 313 E HA 0.540 4.892 4.350 0.003 0.000 0.262 313 E C 0.390 177.003 176.600 0.023 0.000 0.889 313 E CA 0.078 56.505 56.400 0.044 0.000 0.789 313 E CB 1.045 30.758 29.700 0.022 0.000 1.221 313 E HN 0.981 nan 8.360 nan 0.000 0.414 314 G N 4.730 113.549 108.800 0.033 0.000 2.596 314 G HA2 -0.389 3.573 3.960 0.003 0.000 0.304 314 G HA3 -0.389 3.573 3.960 0.003 0.000 0.304 314 G C 0.413 175.267 174.900 -0.078 0.000 1.189 314 G CA 0.562 45.660 45.100 -0.005 0.000 0.986 314 G HN 0.756 nan 8.290 nan 0.000 0.548 315 N N 1.796 120.354 118.700 -0.235 0.000 2.273 315 N HA 0.549 5.291 4.740 0.003 0.000 0.231 315 N C 0.241 175.476 175.510 -0.460 0.000 1.134 315 N CA 0.975 53.604 53.050 -0.702 0.000 0.856 315 N CB 0.482 38.503 38.487 -0.777 0.000 1.068 315 N HN 1.307 nan 8.380 nan 0.000 0.510 316 A N 0.285 123.003 122.820 -0.171 0.000 2.304 316 A HA 0.677 4.998 4.320 0.003 0.000 0.323 316 A C -0.646 176.848 177.584 -0.150 0.000 1.195 316 A CA -0.565 51.391 52.037 -0.135 0.000 0.826 316 A CB 1.405 20.360 19.000 -0.075 0.000 1.184 316 A HN 0.055 nan 8.150 nan 0.000 0.496 317 V N 3.404 123.084 119.914 -0.390 0.000 2.588 317 V HA 0.489 4.611 4.120 0.003 0.000 0.304 317 V C -0.481 175.371 176.094 -0.403 0.000 1.042 317 V CA -0.335 61.662 62.300 -0.504 0.000 0.877 317 V CB 1.507 32.630 31.823 -1.166 0.000 0.996 317 V HN 0.782 nan 8.190 nan 0.000 0.425 318 L N 4.779 125.929 121.223 -0.122 0.000 2.362 318 L HA 0.617 4.959 4.340 0.003 0.000 0.275 318 L C -1.418 175.569 176.870 0.195 0.000 0.998 318 L CA -0.715 54.130 54.840 0.008 0.000 0.820 318 L CB 1.865 43.930 42.059 0.010 0.000 1.270 318 L HN 0.717 nan 8.230 nan 0.000 0.415 319 Y N 2.867 123.227 120.300 0.100 0.000 2.294 319 Y HA 0.523 5.075 4.550 0.003 0.000 0.329 319 Y C 0.502 176.531 175.900 0.216 0.000 1.135 319 Y CA -0.122 58.093 58.100 0.191 0.000 1.213 319 Y CB 1.146 39.731 38.460 0.208 0.000 1.141 319 Y HN 0.778 nan 8.280 nan 0.000 0.446 320 G N 3.682 112.377 108.800 -0.174 0.000 2.672 320 G HA2 -0.438 3.524 3.960 0.003 0.000 0.332 320 G HA3 -0.438 3.524 3.960 0.003 0.000 0.332 320 G C 1.285 175.991 174.900 -0.325 0.000 1.213 320 G CA 0.699 45.638 45.100 -0.269 0.000 0.980 320 G HN 1.570 nan 8.290 nan 0.000 0.548 321 G N -0.459 107.974 108.800 -0.611 0.000 2.511 321 G HA2 0.230 4.192 3.960 0.003 0.000 0.217 321 G HA3 0.230 4.192 3.960 0.003 0.000 0.217 321 G C 0.649 174.898 174.900 -1.084 0.000 1.133 321 G CA 0.633 44.930 45.100 -1.338 0.000 0.792 321 G HN 0.496 nan 8.290 nan 0.000 0.539 322 W N 0.284 121.365 121.300 -0.365 0.000 2.261 322 W HA 0.613 5.275 4.660 0.003 0.000 0.323 322 W C 0.379 176.901 176.519 0.004 0.000 1.243 322 W CA -0.492 56.862 57.345 0.014 0.000 1.210 322 W CB 1.285 30.898 29.460 0.256 0.000 1.149 322 W HN -0.072 nan 8.180 nan 0.000 0.562 323 S N 4.065 119.980 115.700 0.359 0.000 2.571 323 S HA 0.786 5.258 4.470 0.003 0.000 0.284 323 S C -1.193 173.581 174.600 0.290 0.000 1.128 323 S CA -0.716 57.578 58.200 0.157 0.000 0.970 323 S CB 0.111 63.320 63.200 0.015 0.000 1.039 323 S HN 0.378 nan 8.310 nan 0.000 0.485 324 F N 1.717 121.677 119.950 0.017 0.000 2.686 324 F HA 0.927 5.456 4.527 0.003 0.000 0.311 324 F C -0.664 175.119 175.800 -0.029 0.000 1.128 324 F CA -1.158 56.828 58.000 -0.023 0.000 0.946 324 F CB 0.778 39.713 39.000 -0.107 0.000 1.336 324 F HN 0.664 nan 8.300 nan 0.000 0.457 325 A N 1.359 124.243 122.820 0.106 0.000 2.322 325 A HA 0.940 5.262 4.320 0.003 0.000 0.327 325 A C -1.427 176.264 177.584 0.178 0.000 1.134 325 A CA -0.673 51.372 52.037 0.013 0.000 0.831 325 A CB 1.083 20.070 19.000 -0.022 0.000 1.288 325 A HN 1.217 nan 8.150 nan 0.000 0.472 326 F N -0.824 119.169 119.950 0.070 0.000 2.629 326 F HA 0.920 5.449 4.527 0.003 0.000 0.316 326 F C -0.385 175.460 175.800 0.075 0.000 1.081 326 F CA -1.060 56.987 58.000 0.077 0.000 0.954 326 F CB 1.565 40.662 39.000 0.161 0.000 1.337 326 F HN 0.876 nan 8.300 nan 0.000 0.474 327 R N 1.251 121.917 120.500 0.277 0.000 2.710 327 R HA 0.758 5.100 4.340 0.003 0.000 0.270 327 R C -2.554 173.889 176.300 0.238 0.000 1.021 327 R CA -1.106 55.112 56.100 0.196 0.000 0.889 327 R CB 1.888 32.257 30.300 0.115 0.000 1.243 327 R HN 0.879 nan 8.270 nan 0.000 0.464 328 L N 1.948 123.288 121.223 0.196 0.000 2.337 328 L HA 0.478 4.820 4.340 0.003 0.000 0.269 328 L C -0.491 176.455 176.870 0.127 0.000 1.018 328 L CA -0.521 54.410 54.840 0.153 0.000 0.876 328 L CB 1.114 43.273 42.059 0.167 0.000 1.236 328 L HN 0.718 nan 8.230 nan 0.000 0.436 329 R N 2.216 122.764 120.500 0.081 0.000 2.370 329 R HA 0.163 4.504 4.340 0.003 0.000 0.309 329 R C 1.037 177.357 176.300 0.033 0.000 1.059 329 R CA 0.386 56.531 56.100 0.074 0.000 0.981 329 R CB 0.851 31.185 30.300 0.057 0.000 0.972 329 R HN 0.820 nan 8.270 nan 0.000 0.437 330 S N 1.600 117.343 115.700 0.072 0.000 2.387 330 S HA -0.212 4.260 4.470 0.003 0.000 0.230 330 S C 1.772 176.300 174.600 -0.120 0.000 1.035 330 S CA 1.856 60.026 58.200 -0.050 0.000 1.014 330 S CB -0.070 63.189 63.200 0.099 0.000 0.836 330 S HN 0.856 nan 8.310 nan 0.000 0.466 331 S N 1.495 117.196 115.700 0.003 0.000 2.357 331 S HA -0.032 4.440 4.470 0.003 0.000 0.221 331 S C 1.866 176.436 174.600 -0.049 0.000 1.031 331 S CA 1.175 59.386 58.200 0.018 0.000 0.982 331 S CB -0.369 62.892 63.200 0.101 0.000 0.853 331 S HN 0.604 nan 8.310 nan 0.000 0.458 332 S N -0.058 115.607 115.700 -0.059 0.000 2.559 332 S HA 0.611 5.083 4.470 0.003 0.000 0.226 332 S C 1.008 175.484 174.600 -0.207 0.000 1.030 332 S CA 0.254 58.392 58.200 -0.102 0.000 0.956 332 S CB 0.260 63.427 63.200 -0.055 0.000 0.900 332 S HN 1.424 nan 8.310 nan 0.000 0.510 333 G N 1.264 109.950 108.800 -0.190 0.000 2.396 333 G HA2 0.073 4.035 3.960 0.003 0.000 0.254 333 G HA3 0.073 4.035 3.960 0.003 0.000 0.254 333 G C -1.083 173.725 174.900 -0.154 0.000 1.248 333 G CA -0.518 44.416 45.100 -0.278 0.000 1.033 333 G HN 0.682 nan 8.290 nan 0.000 0.502 334 L N 1.128 122.243 121.223 -0.180 0.000 2.426 334 L HA 0.618 4.960 4.340 0.003 0.000 0.271 334 L C 0.592 177.590 176.870 0.213 0.000 1.169 334 L CA 0.571 55.448 54.840 0.062 0.000 0.836 334 L CB 0.675 42.785 42.059 0.085 0.000 1.112 334 L HN 0.680 nan 8.230 nan 0.000 0.465 335 Q N 3.826 123.758 119.800 0.221 0.000 2.379 335 Q HA 0.663 5.005 4.340 0.003 0.000 0.278 335 Q C -1.448 174.539 176.000 -0.023 0.000 1.068 335 Q CA -1.005 54.848 55.803 0.084 0.000 0.816 335 Q CB 2.610 31.360 28.738 0.020 0.000 1.387 335 Q HN 0.545 nan 8.270 nan 0.000 0.413 336 V N -0.474 119.242 119.914 -0.330 0.000 2.555 336 V HA 0.790 4.911 4.120 0.003 0.000 0.302 336 V C -0.951 174.950 176.094 -0.322 0.000 1.038 336 V CA -0.761 61.374 62.300 -0.274 0.000 0.887 336 V CB 1.306 32.845 31.823 -0.474 0.000 0.991 336 V HN 0.641 nan 8.190 nan 0.000 0.434 337 L N 2.718 123.742 121.223 -0.332 0.000 2.354 337 L HA 0.650 4.992 4.340 0.003 0.000 0.264 337 L C 0.457 176.999 176.870 -0.547 0.000 1.008 337 L CA -0.686 53.751 54.840 -0.671 0.000 0.819 337 L CB 1.713 43.018 42.059 -1.257 0.000 1.339 337 L HN 0.883 nan 8.230 nan 0.000 0.420 338 N N 0.559 118.933 118.700 -0.543 0.000 2.725 338 N HA -0.164 4.578 4.740 0.003 0.000 0.251 338 N C -0.944 174.670 175.510 0.174 0.000 1.031 338 N CA 0.340 53.319 53.050 -0.119 0.000 0.720 338 N CB -0.566 37.906 38.487 -0.026 0.000 0.930 338 N HN 0.334 nan 8.380 nan 0.000 0.543 339 V N 1.757 121.730 119.914 0.097 0.000 2.470 339 V HA 0.200 4.321 4.120 0.003 0.000 0.276 339 V C 0.566 176.816 176.094 0.261 0.000 1.040 339 V CA 0.050 62.503 62.300 0.254 0.000 1.008 339 V CB 0.712 32.632 31.823 0.161 0.000 0.990 339 V HN 0.359 nan 8.190 nan 0.000 0.477 340 H N 3.674 122.914 119.070 0.284 0.000 2.622 340 H HA 0.664 5.222 4.556 0.003 0.000 0.363 340 H C -1.082 174.416 175.328 0.284 0.000 1.151 340 H CA -0.603 55.582 56.048 0.229 0.000 1.184 340 H CB 1.945 31.800 29.762 0.155 0.000 1.643 340 H HN 0.589 nan 8.280 nan 0.000 0.531 341 F N 0.409 120.443 119.950 0.140 0.000 2.547 341 F HA 0.448 4.977 4.527 0.003 0.000 0.316 341 F C 0.855 176.758 175.800 0.172 0.000 1.121 341 F CA 0.089 58.058 58.000 -0.052 0.000 0.911 341 F CB 1.592 40.342 39.000 -0.417 0.000 1.179 341 F HN 0.777 nan 8.300 nan 0.000 0.443 342 G N 3.133 111.814 108.800 -0.200 0.000 2.283 342 G HA2 -0.004 3.958 3.960 0.003 0.000 0.280 342 G HA3 -0.004 3.958 3.960 0.003 0.000 0.280 342 G C 1.014 176.004 174.900 0.150 0.000 1.029 342 G CA 0.632 45.757 45.100 0.041 0.000 0.840 342 G HN 2.223 nan 8.290 nan 0.000 0.505 343 G N -1.718 107.162 108.800 0.134 0.000 2.162 343 G HA2 -0.218 3.744 3.960 0.003 0.000 0.260 343 G HA3 -0.218 3.744 3.960 0.003 0.000 0.260 343 G C -0.002 175.098 174.900 0.334 0.000 0.976 343 G CA 0.942 46.147 45.100 0.175 0.000 0.655 343 G HN 1.086 nan 8.290 nan 0.000 0.533 344 E N -0.327 120.102 120.200 0.382 0.000 2.199 344 E HA 0.462 4.814 4.350 0.003 0.000 0.269 344 E C 0.240 176.886 176.600 0.076 0.000 0.899 344 E CA -1.038 55.541 56.400 0.298 0.000 0.772 344 E CB 1.773 31.672 29.700 0.331 0.000 1.155 344 E HN 0.304 nan 8.360 nan 0.000 0.408 345 R N 2.641 122.970 120.500 -0.286 0.000 2.537 345 R HA 0.093 4.435 4.340 0.003 0.000 0.280 345 R C 0.930 177.111 176.300 -0.199 0.000 1.058 345 R CA 0.369 56.117 56.100 -0.587 0.000 1.057 345 R CB 0.336 30.351 30.300 -0.475 0.000 0.973 345 R HN 0.726 nan 8.270 nan 0.000 0.438 346 I N 0.322 120.744 120.570 -0.247 0.000 3.971 346 I HA 0.459 4.631 4.170 0.003 0.000 0.303 346 I C -0.041 175.914 176.117 -0.270 0.000 1.233 346 I CA -0.133 60.953 61.300 -0.356 0.000 1.346 346 I CB 0.847 38.415 38.000 -0.720 0.000 1.273 346 I HN 0.432 nan 8.210 nan 0.000 0.448 347 A N -0.272 122.443 122.820 -0.175 0.000 2.427 347 A HA 0.441 4.763 4.320 0.003 0.000 0.298 347 A C -0.506 177.041 177.584 -0.061 0.000 1.036 347 A CA -0.538 51.422 52.037 -0.128 0.000 0.701 347 A CB 0.601 19.506 19.000 -0.159 0.000 1.250 347 A HN 0.326 nan 8.150 nan 0.000 0.412 348 Y N 1.638 121.856 120.300 -0.136 0.000 2.263 348 Y HA 0.140 4.692 4.550 0.003 0.000 0.292 348 Y C 0.761 176.578 175.900 -0.138 0.000 1.130 348 Y CA 2.311 60.347 58.100 -0.106 0.000 1.179 348 Y CB 0.379 38.793 38.460 -0.076 0.000 0.998 348 Y HN 0.697 nan 8.280 nan 0.000 0.532 349 E N -0.002 120.110 120.200 -0.146 0.000 2.321 349 E HA 0.475 4.827 4.350 0.003 0.000 0.281 349 E C -2.140 174.347 176.600 -0.189 0.000 0.910 349 E CA -0.629 55.640 56.400 -0.218 0.000 0.770 349 E CB 1.916 31.561 29.700 -0.091 0.000 1.225 349 E HN -0.155 nan 8.360 nan 0.000 0.417 350 V N 3.244 123.010 119.914 -0.246 0.000 2.443 350 V HA 0.530 4.652 4.120 0.003 0.000 0.293 350 V C -0.626 175.389 176.094 -0.132 0.000 1.021 350 V CA -0.555 61.626 62.300 -0.199 0.000 0.848 350 V CB 1.262 32.893 31.823 -0.319 0.000 0.998 350 V HN 0.696 nan 8.190 nan 0.000 0.424 351 S N 3.053 118.810 115.700 0.095 0.000 2.546 351 S HA 0.740 5.212 4.470 0.003 0.000 0.274 351 S C -0.799 173.905 174.600 0.172 0.000 1.121 351 S CA -0.872 57.424 58.200 0.160 0.000 0.887 351 S CB 1.803 65.019 63.200 0.027 0.000 1.094 351 S HN 0.374 nan 8.310 nan 0.000 0.474 352 V N 3.249 123.163 119.914 0.000 0.000 2.585 352 V HA 0.146 4.268 4.120 0.003 0.000 0.296 352 V C 0.737 176.659 176.094 -0.286 0.000 1.035 352 V CA 0.294 62.347 62.300 -0.411 0.000 1.084 352 V CB 0.697 32.080 31.823 -0.733 0.000 0.953 352 V HN 0.952 nan 8.190 nan 0.000 0.483 353 Q N 2.180 121.796 119.800 -0.307 0.000 2.471 353 Q HA 0.291 4.633 4.340 0.003 0.000 0.241 353 Q C 0.372 176.252 176.000 -0.200 0.000 0.886 353 Q CA 0.331 56.030 55.803 -0.173 0.000 0.953 353 Q CB 1.194 29.889 28.738 -0.072 0.000 1.108 353 Q HN 0.847 nan 8.270 nan 0.000 0.575 354 E N -0.951 119.091 120.200 -0.264 0.000 2.388 354 E HA 0.616 4.967 4.350 0.003 0.000 0.281 354 E C -2.088 174.511 176.600 -0.001 0.000 1.046 354 E CA -0.349 55.977 56.400 -0.124 0.000 0.825 354 E CB 1.643 31.266 29.700 -0.127 0.000 1.243 354 E HN 0.054 nan 8.360 nan 0.000 0.438 355 A N 1.798 124.741 122.820 0.205 0.000 2.408 355 A HA 0.728 5.049 4.320 0.003 0.000 0.295 355 A C -1.117 176.698 177.584 0.384 0.000 1.040 355 A CA -0.169 52.086 52.037 0.364 0.000 0.707 355 A CB 0.904 20.245 19.000 0.569 0.000 1.235 355 A HN 1.068 nan 8.150 nan 0.000 0.418 356 V N -0.783 119.363 119.914 0.387 0.000 2.914 356 V HA 1.008 5.130 4.120 0.003 0.000 0.314 356 V C -0.211 176.001 176.094 0.197 0.000 1.084 356 V CA -0.413 62.069 62.300 0.304 0.000 0.963 356 V CB 1.624 33.612 31.823 0.275 0.000 1.025 356 V HN 2.070 nan 8.190 nan 0.000 0.432 357 A N 4.697 127.606 122.820 0.148 0.000 2.357 357 A HA 0.847 5.169 4.320 0.003 0.000 0.295 357 A C -1.004 176.541 177.584 -0.065 0.000 1.121 357 A CA -0.551 51.446 52.037 -0.067 0.000 0.742 357 A CB 1.027 20.004 19.000 -0.039 0.000 1.181 357 A HN 1.036 nan 8.150 nan 0.000 0.454 358 L N 3.017 124.107 121.223 -0.222 0.000 2.298 358 L HA 0.500 4.842 4.340 0.003 0.000 0.284 358 L C -1.094 175.660 176.870 -0.194 0.000 1.013 358 L CA -0.488 54.288 54.840 -0.108 0.000 0.824 358 L CB 0.882 42.890 42.059 -0.085 0.000 1.221 358 L HN 0.722 nan 8.230 nan 0.000 0.418 359 Y N 0.992 121.300 120.300 0.013 0.000 2.496 359 Y HA 0.717 5.269 4.550 0.003 0.000 0.331 359 Y C 0.876 176.796 175.900 0.035 0.000 1.140 359 Y CA -0.497 57.635 58.100 0.053 0.000 1.166 359 Y CB 2.060 40.545 38.460 0.041 0.000 1.249 359 Y HN 0.533 nan 8.280 nan 0.000 0.479 360 G N -0.670 108.261 108.800 0.219 0.000 2.537 360 G HA2 0.670 4.632 3.960 0.003 0.000 0.323 360 G HA3 0.670 4.632 3.960 0.003 0.000 0.323 360 G C -0.908 174.047 174.900 0.092 0.000 1.207 360 G CA -0.687 44.503 45.100 0.151 0.000 0.976 360 G HN 0.893 nan 8.290 nan 0.000 0.487 361 G N -1.304 107.380 108.800 -0.194 0.000 2.632 361 G HA2 0.464 4.426 3.960 0.003 0.000 0.292 361 G HA3 0.464 4.426 3.960 0.003 0.000 0.292 361 G C 0.155 174.666 174.900 -0.649 0.000 1.465 361 G CA -0.149 44.790 45.100 -0.268 0.000 0.824 361 G HN 0.856 nan 8.290 nan 0.000 0.509 362 H N -0.941 117.841 119.070 -0.479 0.000 2.482 362 H HA 0.090 4.648 4.556 0.003 0.000 0.286 362 H C 1.183 176.283 175.328 -0.380 0.000 1.017 362 H CA 1.123 56.982 56.048 -0.315 0.000 1.322 362 H CB -0.536 29.203 29.762 -0.038 0.000 1.426 362 H HN 0.601 nan 8.280 nan 0.000 0.546 363 T N -0.944 112.987 114.554 -1.038 0.000 2.922 363 T HA 0.219 4.571 4.350 0.003 0.000 0.285 363 T C -1.726 172.341 174.700 -1.055 0.000 1.005 363 T CA -1.892 59.368 62.100 -1.401 0.000 1.061 363 T CB 2.490 70.396 68.868 -1.603 0.000 1.007 363 T HN -0.113 nan 8.240 nan 0.000 0.502 364 P HA -0.038 nan 4.420 nan 0.000 0.216 364 P C 1.556 178.240 177.300 -1.027 0.000 1.150 364 P CA 1.395 63.827 63.100 -1.113 0.000 0.837 364 P CB -0.332 30.352 31.700 -1.693 0.000 0.786 365 A N 0.159 122.431 122.820 -0.914 0.000 1.898 365 A HA -0.027 4.295 4.320 0.003 0.000 0.216 365 A C 2.567 179.978 177.584 -0.289 0.000 1.181 365 A CA 1.981 53.781 52.037 -0.395 0.000 0.620 365 A CB -1.870 17.038 19.000 -0.154 0.000 0.819 365 A HN 0.278 nan 8.150 nan 0.000 0.442 366 G N 0.591 109.157 108.800 -0.389 0.000 2.421 366 G HA2 -0.255 3.707 3.960 0.003 0.000 0.216 366 G HA3 -0.255 3.707 3.960 0.003 0.000 0.216 366 G C 1.679 176.471 174.900 -0.179 0.000 1.171 366 G CA 1.409 46.345 45.100 -0.273 0.000 0.775 366 G HN 0.718 nan 8.290 nan 0.000 0.543 367 M N -0.557 118.889 119.600 -0.255 0.000 2.476 367 M HA 0.222 4.704 4.480 0.003 0.000 0.262 367 M C 2.205 178.464 176.300 -0.069 0.000 1.079 367 M CA 1.712 56.917 55.300 -0.158 0.000 1.104 367 M CB -0.014 32.466 32.600 -0.200 0.000 1.409 367 M HN 0.191 nan 8.290 nan 0.000 0.467 368 Q N 1.704 121.450 119.800 -0.089 0.000 2.311 368 Q HA 0.084 4.426 4.340 0.003 0.000 0.203 368 Q C -0.172 175.822 176.000 -0.010 0.000 0.954 368 Q CA 0.956 56.765 55.803 0.009 0.000 0.885 368 Q CB -0.074 28.708 28.738 0.075 0.000 0.963 368 Q HN 0.491 nan 8.270 nan 0.000 0.471 369 T N 2.052 116.565 114.554 -0.069 0.000 2.738 369 T HA 0.259 4.611 4.350 0.003 0.000 0.293 369 T C -0.635 174.023 174.700 -0.070 0.000 0.913 369 T CA -0.056 61.911 62.100 -0.223 0.000 1.103 369 T CB 0.252 68.862 68.868 -0.430 0.000 0.880 369 T HN 0.070 nan 8.240 nan 0.000 0.526 370 K N 3.621 123.955 120.400 -0.110 0.000 2.626 370 K HA 0.262 4.583 4.320 0.003 0.000 0.223 370 K C -1.275 175.367 176.600 0.069 0.000 0.992 370 K CA -0.683 55.608 56.287 0.008 0.000 1.024 370 K CB 0.992 33.491 32.500 -0.002 0.000 1.225 370 K HN 0.434 nan 8.250 nan 0.000 0.498 371 Y N 1.981 122.368 120.300 0.145 0.000 2.336 371 Y HA 0.226 4.778 4.550 0.003 0.000 0.335 371 Y C -0.086 175.921 175.900 0.177 0.000 1.046 371 Y CA -0.776 57.408 58.100 0.140 0.000 1.198 371 Y CB 0.676 39.135 38.460 -0.001 0.000 1.182 371 Y HN 0.316 nan 8.280 nan 0.000 0.502 372 L N 4.326 125.817 121.223 0.446 0.000 2.318 372 L HA 0.319 4.661 4.340 0.003 0.000 0.277 372 L C 0.818 177.944 176.870 0.427 0.000 1.008 372 L CA -0.229 54.835 54.840 0.373 0.000 0.846 372 L CB 1.235 43.489 42.059 0.324 0.000 1.220 372 L HN 0.557 nan 8.230 nan 0.000 0.423 373 D N 1.578 122.163 120.400 0.307 0.000 2.178 373 D HA -0.125 4.517 4.640 0.003 0.000 0.201 373 D C 2.024 178.501 176.300 0.296 0.000 0.980 373 D CA 1.004 55.157 54.000 0.255 0.000 0.842 373 D CB 0.390 41.286 40.800 0.159 0.000 0.948 373 D HN 0.311 nan 8.370 nan 0.000 0.472 374 V N 0.769 120.810 119.914 0.212 0.000 2.594 374 V HA -0.151 3.971 4.120 0.003 0.000 0.253 374 V C 2.388 178.588 176.094 0.176 0.000 1.069 374 V CA 1.762 64.141 62.300 0.131 0.000 1.082 374 V CB -0.822 31.039 31.823 0.064 0.000 0.680 374 V HN 0.248 nan 8.190 nan 0.000 0.469 375 G N -1.753 107.196 108.800 0.250 0.000 2.625 375 G HA2 -0.194 3.768 3.960 0.003 0.000 0.214 375 G HA3 -0.194 3.768 3.960 0.003 0.000 0.214 375 G C 0.813 175.713 174.900 -0.000 0.000 1.132 375 G CA 0.162 45.331 45.100 0.114 0.000 0.782 375 G HN 0.690 nan 8.290 nan 0.000 0.538 376 W N -0.961 120.410 121.300 0.120 0.000 2.702 376 W HA 0.464 5.126 4.660 0.003 0.000 0.369 376 W C 1.194 177.630 176.519 -0.139 0.000 0.987 376 W CA -0.541 56.869 57.345 0.108 0.000 1.702 376 W CB 0.210 29.695 29.460 0.042 0.000 1.138 376 W HN 0.253 nan 8.180 nan 0.000 0.552 377 G N 2.050 110.791 108.800 -0.098 0.000 2.401 377 G HA2 -0.306 3.656 3.960 0.003 0.000 0.283 377 G HA3 -0.306 3.656 3.960 0.003 0.000 0.283 377 G C 0.671 175.340 174.900 -0.385 0.000 1.117 377 G CA 0.042 44.752 45.100 -0.650 0.000 1.051 377 G HN 0.245 nan 8.290 nan 0.000 0.510 378 L N 0.632 121.760 121.223 -0.158 0.000 2.064 378 L HA 0.009 4.351 4.340 0.003 0.000 0.216 378 L C 2.468 179.207 176.870 -0.218 0.000 1.077 378 L CA 3.537 58.303 54.840 -0.122 0.000 0.766 378 L CB -0.674 41.342 42.059 -0.073 0.000 0.890 378 L HN 0.697 nan 8.230 nan 0.000 0.435 379 G N -2.850 105.783 108.800 -0.279 0.000 2.985 379 G HA2 0.008 3.970 3.960 0.003 0.000 0.209 379 G HA3 0.008 3.970 3.960 0.003 0.000 0.209 379 G C 1.195 175.756 174.900 -0.565 0.000 1.165 379 G CA 0.598 45.517 45.100 -0.303 0.000 0.776 379 G HN 0.452 nan 8.290 nan 0.000 0.541 380 S N -0.475 114.777 115.700 -0.746 0.000 2.559 380 S HA 0.079 4.551 4.470 0.003 0.000 0.226 380 S C 1.194 175.262 174.600 -0.887 0.000 1.000 380 S CA 0.059 57.511 58.200 -1.246 0.000 0.948 380 S CB 0.931 63.535 63.200 -0.993 0.000 0.870 380 S HN 0.391 nan 8.310 nan 0.000 0.497 381 V N 1.213 120.806 119.914 -0.534 0.000 2.894 381 V HA 0.340 4.462 4.120 0.003 0.000 0.373 381 V C 0.423 176.330 176.094 -0.313 0.000 1.286 381 V CA -0.491 61.591 62.300 -0.364 0.000 1.331 381 V CB -0.850 30.910 31.823 -0.106 0.000 1.415 381 V HN 0.346 nan 8.190 nan 0.000 0.585 382 T N -1.068 113.261 114.554 -0.375 0.000 3.945 382 T HA 0.346 4.698 4.350 0.003 0.000 0.306 382 T C 0.250 174.900 174.700 -0.084 0.000 1.475 382 T CA -0.231 61.789 62.100 -0.134 0.000 1.177 382 T CB -0.633 68.207 68.868 -0.046 0.000 1.272 382 T HN 0.574 nan 8.240 nan 0.000 0.930 383 H N 1.251 120.384 119.070 0.105 0.000 2.544 383 H HA 0.295 4.853 4.556 0.003 0.000 0.365 383 H C 0.473 175.861 175.328 0.099 0.000 1.268 383 H CA -0.643 55.455 56.048 0.083 0.000 1.400 383 H CB 0.806 30.575 29.762 0.012 0.000 1.538 383 H HN 0.655 nan 8.280 nan 0.000 0.597 384 E N 1.448 121.779 120.200 0.218 0.000 2.417 384 E HA 0.034 4.386 4.350 0.003 0.000 0.261 384 E C -0.510 176.221 176.600 0.218 0.000 1.000 384 E CA -0.283 56.159 56.400 0.070 0.000 0.919 384 E CB 0.260 29.792 29.700 -0.280 0.000 0.955 384 E HN 0.276 nan 8.360 nan 0.000 0.455 385 L N 3.750 125.084 121.223 0.184 0.000 2.319 385 L HA 0.262 4.603 4.340 0.003 0.000 0.280 385 L C 0.262 177.266 176.870 0.223 0.000 1.099 385 L CA -0.491 54.506 54.840 0.260 0.000 0.828 385 L CB 1.085 43.360 42.059 0.359 0.000 1.150 385 L HN 0.561 nan 8.230 nan 0.000 0.442 386 A N 6.204 129.210 122.820 0.311 0.000 2.302 386 A HA 0.547 4.869 4.320 0.003 0.000 0.295 386 A C -2.332 175.382 177.584 0.217 0.000 1.235 386 A CA -1.492 50.738 52.037 0.321 0.000 0.876 386 A CB -0.161 19.011 19.000 0.286 0.000 1.133 386 A HN 0.387 nan 8.150 nan 0.000 0.533 387 P HA 0.278 nan 4.420 nan 0.000 0.267 387 P C 1.159 178.617 177.300 0.264 0.000 1.205 387 P CA 1.751 64.894 63.100 0.072 0.000 0.765 387 P CB 0.954 32.516 31.700 -0.230 0.000 0.828 388 G N 2.366 111.289 108.800 0.204 0.000 2.241 388 G HA2 -0.288 3.674 3.960 0.003 0.000 0.244 388 G HA3 -0.288 3.674 3.960 0.003 0.000 0.244 388 G C 0.703 175.627 174.900 0.040 0.000 0.998 388 G CA 0.347 45.508 45.100 0.101 0.000 0.621 388 G HN 0.485 nan 8.290 nan 0.000 0.519 389 I N -0.423 120.188 120.570 0.069 0.000 3.393 389 I HA 0.211 4.383 4.170 0.003 0.000 0.250 389 I C 1.953 178.076 176.117 0.010 0.000 1.122 389 I CA 0.523 61.831 61.300 0.013 0.000 1.484 389 I CB -0.179 37.819 38.000 -0.002 0.000 1.468 389 I HN -0.100 nan 8.210 nan 0.000 0.461 390 D N 0.707 121.150 120.400 0.071 0.000 2.149 390 D HA 0.015 4.657 4.640 0.003 0.000 0.201 390 D C 0.298 176.614 176.300 0.025 0.000 0.972 390 D CA 0.986 55.026 54.000 0.067 0.000 0.835 390 D CB 0.211 41.098 40.800 0.145 0.000 0.966 390 D HN 0.288 nan 8.370 nan 0.000 0.476 391 c N -0.137 118.480 118.600 0.028 0.000 3.080 391 c HA 0.450 5.022 4.570 0.003 0.000 0.307 391 c C -2.432 171.497 174.090 -0.267 0.000 1.311 391 c CA -1.808 54.344 56.329 -0.295 0.000 1.533 391 c CB 1.873 44.181 42.510 -0.337 0.000 1.970 391 c HN 0.016 nan 8.230 nan 0.000 0.467 392 P HA 0.119 nan 4.420 nan 0.000 0.268 392 P C 0.179 177.459 177.300 -0.033 0.000 1.208 392 P CA 0.423 63.355 63.100 -0.279 0.000 0.777 392 P CB 0.488 31.973 31.700 -0.359 0.000 0.875 393 E N -0.062 120.171 120.200 0.055 0.000 2.265 393 E HA -0.146 4.206 4.350 0.003 0.000 0.196 393 E C 1.397 178.090 176.600 0.155 0.000 0.996 393 E CA 1.704 58.193 56.400 0.149 0.000 0.832 393 E CB -0.787 28.976 29.700 0.104 0.000 0.756 393 E HN 0.584 nan 8.360 nan 0.000 0.491 394 T N -2.094 112.505 114.554 0.076 0.000 3.129 394 T HA 0.386 4.738 4.350 0.003 0.000 0.251 394 T C 0.895 175.640 174.700 0.076 0.000 1.117 394 T CA 0.053 62.201 62.100 0.080 0.000 1.034 394 T CB 0.085 68.994 68.868 0.068 0.000 0.968 394 T HN 0.135 nan 8.240 nan 0.000 0.526 395 A N 1.690 124.494 122.820 -0.028 0.000 2.406 395 A HA 0.505 4.827 4.320 0.003 0.000 0.243 395 A C 0.519 178.001 177.584 -0.169 0.000 1.082 395 A CA -0.350 51.584 52.037 -0.171 0.000 0.786 395 A CB -0.036 18.582 19.000 -0.637 0.000 1.029 395 A HN 0.361 nan 8.150 nan 0.000 0.495 396 T N 2.091 116.605 114.554 -0.067 0.000 2.743 396 T HA 0.486 4.838 4.350 0.003 0.000 0.293 396 T C -0.723 173.877 174.700 -0.166 0.000 0.945 396 T CA 0.484 62.596 62.100 0.019 0.000 1.030 396 T CB -0.342 68.644 68.868 0.198 0.000 0.912 396 T HN 0.316 nan 8.240 nan 0.000 0.483 397 F N 2.863 122.875 119.950 0.103 0.000 2.443 397 F HA 0.588 5.117 4.527 0.003 0.000 0.335 397 F C 0.164 176.011 175.800 0.077 0.000 1.104 397 F CA -1.097 56.949 58.000 0.076 0.000 1.013 397 F CB 1.096 40.122 39.000 0.044 0.000 1.136 397 F HN 0.205 nan 8.300 nan 0.000 0.470 398 L N 3.157 124.519 121.223 0.232 0.000 2.386 398 L HA 0.472 4.814 4.340 0.003 0.000 0.271 398 L C -0.908 176.040 176.870 0.130 0.000 0.993 398 L CA -1.070 53.876 54.840 0.177 0.000 0.819 398 L CB 1.854 44.018 42.059 0.175 0.000 1.294 398 L HN 0.476 nan 8.230 nan 0.000 0.414 399 D N 0.625 121.084 120.400 0.099 0.000 2.348 399 D HA 0.512 5.154 4.640 0.003 0.000 0.249 399 D C -0.066 176.219 176.300 -0.025 0.000 1.110 399 D CA 0.010 53.997 54.000 -0.020 0.000 0.967 399 D CB 2.019 42.822 40.800 0.006 0.000 1.139 399 D HN 0.382 nan 8.370 nan 0.000 0.466 400 T N -0.541 113.904 114.554 -0.180 0.000 2.812 400 T HA 0.611 4.963 4.350 0.003 0.000 0.294 400 T C -1.631 172.867 174.700 -0.337 0.000 1.159 400 T CA -0.552 61.457 62.100 -0.151 0.000 1.008 400 T CB 0.443 69.190 68.868 -0.203 0.000 1.289 400 T HN 0.124 nan 8.240 nan 0.000 0.514 401 F N 1.832 121.676 119.950 -0.177 0.000 2.508 401 F HA 0.605 5.134 4.527 0.003 0.000 0.325 401 F C 0.436 176.066 175.800 -0.283 0.000 1.090 401 F CA -0.698 57.254 58.000 -0.080 0.000 0.945 401 F CB 1.682 40.716 39.000 0.056 0.000 1.156 401 F HN 0.448 nan 8.300 nan 0.000 0.463 402 H N 1.625 120.842 119.070 0.244 0.000 2.690 402 H HA 0.246 4.804 4.556 0.003 0.000 0.368 402 H C -1.687 173.792 175.328 0.252 0.000 1.150 402 H CA -0.792 55.328 56.048 0.119 0.000 1.174 402 H CB 2.372 32.022 29.762 -0.186 0.000 1.684 402 H HN 0.677 nan 8.280 nan 0.000 0.538 403 Y N 3.087 123.522 120.300 0.225 0.000 2.646 403 Y HA 0.273 4.825 4.550 0.003 0.000 0.334 403 Y C -1.745 174.184 175.900 0.048 0.000 1.004 403 Y CA -0.705 57.459 58.100 0.106 0.000 1.301 403 Y CB 0.423 38.900 38.460 0.027 0.000 1.093 403 Y HN 0.558 nan 8.280 nan 0.000 0.530 404 Y N 5.841 125.946 120.300 -0.325 0.000 2.315 404 Y HA 0.307 4.859 4.550 0.003 0.000 0.324 404 Y C -0.172 175.368 175.900 -0.600 0.000 1.062 404 Y CA -1.113 56.708 58.100 -0.466 0.000 1.159 404 Y CB 0.779 39.053 38.460 -0.310 0.000 1.145 404 Y HN 0.659 nan 8.280 nan 0.000 0.442 405 D N 3.589 123.264 120.400 -1.209 0.000 2.697 405 D HA -0.179 4.463 4.640 0.003 0.000 0.238 405 D C -1.292 174.804 176.300 -0.340 0.000 1.152 405 D CA 1.575 55.145 54.000 -0.718 0.000 0.666 405 D CB -0.858 39.705 40.800 -0.396 0.000 1.037 405 D HN 0.816 nan 8.370 nan 0.000 0.423 406 A N 0.118 122.626 122.820 -0.519 0.000 2.527 406 A HA 0.595 4.917 4.320 0.003 0.000 0.293 406 A C 0.613 177.989 177.584 -0.346 0.000 1.117 406 A CA -0.425 51.390 52.037 -0.370 0.000 0.723 406 A CB 1.351 20.128 19.000 -0.371 0.000 1.313 406 A HN -0.016 nan 8.150 nan 0.000 0.411 407 D N 0.256 120.592 120.400 -0.106 0.000 2.249 407 D HA 0.123 4.765 4.640 0.003 0.000 0.205 407 D C -0.331 176.018 176.300 0.081 0.000 0.962 407 D CA 1.397 55.419 54.000 0.037 0.000 0.860 407 D CB 0.349 41.182 40.800 0.056 0.000 0.955 407 D HN 0.557 nan 8.370 nan 0.000 0.505 408 D N -1.098 119.328 120.400 0.043 0.000 2.602 408 D HA 0.232 4.874 4.640 0.003 0.000 0.236 408 D C -2.702 173.724 176.300 0.210 0.000 1.209 408 D CA -1.430 52.651 54.000 0.135 0.000 0.831 408 D CB 2.423 43.283 40.800 0.100 0.000 1.478 408 D HN -0.253 nan 8.370 nan 0.000 0.438 409 P HA 0.033 nan 4.420 nan 0.000 0.264 409 P C -0.538 177.011 177.300 0.416 0.000 1.183 409 P CA -0.067 63.273 63.100 0.399 0.000 0.763 409 P CB 0.571 32.445 31.700 0.289 0.000 0.807 410 V N 3.862 124.050 119.914 0.456 0.000 2.459 410 V HA 0.192 4.314 4.120 0.003 0.000 0.295 410 V C 0.311 176.576 176.094 0.285 0.000 1.029 410 V CA -0.631 61.889 62.300 0.367 0.000 0.874 410 V CB 1.144 33.179 31.823 0.354 0.000 0.985 410 V HN 0.627 nan 8.190 nan 0.000 0.438 411 H N 4.760 123.751 119.070 -0.131 0.000 2.690 411 H HA 0.284 4.842 4.556 0.003 0.000 0.314 411 H C -1.727 173.407 175.328 -0.324 0.000 1.069 411 H CA -0.097 55.561 56.048 -0.649 0.000 1.436 411 H CB 0.636 30.055 29.762 -0.573 0.000 1.462 411 H HN 0.583 nan 8.280 nan 0.000 0.511 412 Y N 6.831 126.621 120.300 -0.851 0.000 2.464 412 Y HA 0.227 4.779 4.550 0.003 0.000 0.326 412 Y C -2.014 173.496 175.900 -0.651 0.000 0.969 412 Y CA -2.643 55.159 58.100 -0.498 0.000 1.270 412 Y CB 1.364 39.639 38.460 -0.308 0.000 1.103 412 Y HN 0.595 nan 8.280 nan 0.000 0.491 413 P HA 0.131 nan 4.420 nan 0.000 0.275 413 P C -0.481 176.753 177.300 -0.111 0.000 1.227 413 P CA -0.269 62.683 63.100 -0.247 0.000 0.781 413 P CB 0.762 32.396 31.700 -0.111 0.000 0.906 414 R N 1.197 121.679 120.500 -0.031 0.000 3.322 414 R HA -0.227 4.115 4.340 0.003 0.000 0.253 414 R C 1.060 177.429 176.300 0.115 0.000 0.987 414 R CA 0.452 56.605 56.100 0.088 0.000 0.666 414 R CB -2.379 27.922 30.300 0.002 0.000 1.072 414 R HN 0.598 nan 8.270 nan 0.000 0.447 415 A N -0.086 122.777 122.820 0.073 0.000 2.014 415 A HA 0.090 4.412 4.320 0.003 0.000 0.218 415 A C 0.728 178.377 177.584 0.109 0.000 1.163 415 A CA 0.909 52.994 52.037 0.081 0.000 0.652 415 A CB 0.271 19.288 19.000 0.028 0.000 0.808 415 A HN 0.234 nan 8.150 nan 0.000 0.449 416 L N -2.076 119.218 121.223 0.118 0.000 2.327 416 L HA 0.594 4.936 4.340 0.003 0.000 0.258 416 L C -0.308 176.609 176.870 0.079 0.000 1.024 416 L CA -0.608 54.283 54.840 0.085 0.000 0.825 416 L CB 2.001 44.081 42.059 0.035 0.000 1.386 416 L HN 0.373 nan 8.230 nan 0.000 0.417 417 c N 0.551 119.148 118.600 -0.005 0.000 3.090 417 c HA 0.928 5.499 4.570 0.003 0.000 0.305 417 c C -1.260 172.753 174.090 -0.129 0.000 1.292 417 c CA -0.993 55.259 56.329 -0.128 0.000 1.482 417 c CB 1.414 43.745 42.510 -0.299 0.000 1.897 417 c HN 0.796 nan 8.230 nan 0.000 0.469 418 L N 3.176 124.303 121.223 -0.160 0.000 2.438 418 L HA 0.961 5.303 4.340 0.003 0.000 0.270 418 L C -0.870 175.885 176.870 -0.191 0.000 0.972 418 L CA -0.351 54.295 54.840 -0.323 0.000 0.831 418 L CB 1.524 43.312 42.059 -0.453 0.000 1.273 418 L HN 0.971 nan 8.230 nan 0.000 0.405 419 F N 1.455 121.152 119.950 -0.421 0.000 2.654 419 F HA 0.640 5.168 4.527 0.003 0.000 0.308 419 F C -0.955 174.723 175.800 -0.204 0.000 1.108 419 F CA -0.874 57.010 58.000 -0.194 0.000 0.957 419 F CB 1.286 40.202 39.000 -0.141 0.000 1.309 419 F HN 0.561 nan 8.300 nan 0.000 0.446 420 E N 2.589 122.895 120.200 0.177 0.000 2.216 420 E HA 0.568 4.920 4.350 0.003 0.000 0.279 420 E C -1.602 175.131 176.600 0.221 0.000 0.997 420 E CA -1.005 55.440 56.400 0.074 0.000 0.817 420 E CB 1.606 31.411 29.700 0.175 0.000 1.096 420 E HN 0.764 nan 8.360 nan 0.000 0.393 421 M N 5.695 125.382 119.600 0.146 0.000 2.395 421 M HA 0.425 4.907 4.480 0.003 0.000 0.307 421 M C -2.631 173.738 176.300 0.114 0.000 1.091 421 M CA -2.455 52.956 55.300 0.185 0.000 0.919 421 M CB 2.196 34.935 32.600 0.232 0.000 1.662 421 M HN 0.209 nan 8.290 nan 0.000 0.440 422 P HA 0.228 nan 4.420 nan 0.000 0.276 422 P C 0.100 177.448 177.300 0.081 0.000 1.235 422 P CA -0.149 63.010 63.100 0.098 0.000 0.772 422 P CB 0.364 32.118 31.700 0.091 0.000 0.871 423 T N -0.879 113.724 114.554 0.082 0.000 3.067 423 T HA 0.181 4.533 4.350 0.003 0.000 0.261 423 T C 1.443 176.183 174.700 0.067 0.000 1.110 423 T CA 0.758 62.902 62.100 0.073 0.000 1.113 423 T CB -0.830 68.100 68.868 0.104 0.000 0.917 423 T HN 0.607 nan 8.240 nan 0.000 0.499 424 G N 0.251 109.092 108.800 0.068 0.000 2.199 424 G HA2 -0.198 3.764 3.960 0.003 0.000 0.254 424 G HA3 -0.198 3.764 3.960 0.003 0.000 0.254 424 G C 0.080 175.015 174.900 0.059 0.000 0.982 424 G CA 0.071 45.204 45.100 0.055 0.000 0.632 424 G HN 1.011 nan 8.290 nan 0.000 0.529 425 V N 2.364 122.322 119.914 0.074 0.000 2.709 425 V HA 0.741 4.863 4.120 0.003 0.000 0.308 425 V C -2.099 174.052 176.094 0.095 0.000 1.062 425 V CA -1.901 60.444 62.300 0.075 0.000 0.901 425 V CB 2.328 34.190 31.823 0.065 0.000 1.003 425 V HN 0.115 nan 8.190 nan 0.000 0.425 426 P HA 0.098 nan 4.420 nan 0.000 0.268 426 P C 0.818 178.177 177.300 0.099 0.000 1.205 426 P CA 0.053 63.218 63.100 0.107 0.000 0.771 426 P CB 1.139 32.911 31.700 0.120 0.000 0.858 427 L N 2.354 123.641 121.223 0.106 0.000 2.046 427 L HA -0.098 4.244 4.340 0.003 0.000 0.208 427 L C 1.121 178.026 176.870 0.058 0.000 1.077 427 L CA 1.561 56.458 54.840 0.094 0.000 0.747 427 L CB -0.037 42.087 42.059 0.110 0.000 0.896 427 L HN 0.525 nan 8.230 nan 0.000 0.432 428 R N -0.804 119.729 120.500 0.055 0.000 2.680 428 R HA 0.656 4.998 4.340 0.003 0.000 0.269 428 R C -1.330 174.996 176.300 0.043 0.000 1.026 428 R CA -1.032 55.092 56.100 0.040 0.000 0.889 428 R CB 1.335 31.645 30.300 0.016 0.000 1.241 428 R HN 0.078 nan 8.270 nan 0.000 0.463 429 R N 0.184 120.715 120.500 0.052 0.000 2.663 429 R HA 0.553 4.895 4.340 0.003 0.000 0.267 429 R C -1.929 174.429 176.300 0.097 0.000 1.038 429 R CA -1.058 55.058 56.100 0.026 0.000 0.886 429 R CB 1.231 31.608 30.300 0.128 0.000 1.249 429 R HN 0.868 nan 8.270 nan 0.000 0.463 430 H N 1.258 120.257 119.070 -0.118 0.000 3.087 430 H HA 0.443 5.001 4.556 0.003 0.000 0.348 430 H C -2.145 173.162 175.328 -0.035 0.000 1.092 430 H CA -1.021 55.007 56.048 -0.033 0.000 1.285 430 H CB 1.167 30.913 29.762 -0.026 0.000 1.875 430 H HN 0.610 nan 8.280 nan 0.000 0.512 431 F N 5.627 125.217 119.950 -0.600 0.000 2.334 431 F HA 0.323 4.851 4.527 0.002 0.000 0.367 431 F C -0.194 175.002 175.800 -1.008 0.000 1.115 431 F CA -0.444 57.259 58.000 -0.495 0.000 1.116 431 F CB 0.463 39.348 39.000 -0.192 0.000 1.230 431 F HN 0.595 nan 8.300 nan 0.000 0.484 432 N N 5.232 123.132 118.700 -1.333 0.000 2.719 432 N HA 0.009 4.751 4.740 0.003 0.000 0.243 432 N C -0.456 174.517 175.510 -0.895 0.000 1.104 432 N CA -0.011 52.408 53.050 -1.051 0.000 0.981 432 N CB 0.634 38.244 38.487 -1.461 0.000 1.290 432 N HN 0.594 nan 8.380 nan 0.000 0.513 433 S N 1.896 117.157 115.700 -0.732 0.000 2.585 433 S HA 0.035 4.507 4.470 0.003 0.000 0.273 433 S C 1.344 175.458 174.600 -0.811 0.000 1.339 433 S CA -0.504 57.278 58.200 -0.697 0.000 1.028 433 S CB 0.494 63.319 63.200 -0.626 0.000 0.906 433 S HN 0.753 nan 8.310 nan 0.000 0.528 434 N N 2.403 120.823 118.700 -0.468 0.000 2.280 434 N HA 0.066 4.808 4.740 0.003 0.000 0.192 434 N C 0.208 175.663 175.510 -0.091 0.000 1.109 434 N CA 0.109 53.013 53.050 -0.243 0.000 0.855 434 N CB -0.884 37.572 38.487 -0.052 0.000 0.974 434 N HN 0.685 nan 8.380 nan 0.000 0.482 435 F N -2.015 117.979 119.950 0.073 0.000 3.006 435 F HA -0.264 4.264 4.527 0.002 0.000 0.289 435 F C 1.194 177.026 175.800 0.054 0.000 0.772 435 F CA 1.045 59.083 58.000 0.063 0.000 1.162 435 F CB -1.914 37.113 39.000 0.045 0.000 1.382 435 F HN 0.478 nan 8.300 nan 0.000 0.406 436 K N -0.353 120.131 120.400 0.141 0.000 2.706 436 K HA 0.636 4.957 4.320 0.003 0.000 0.203 436 K C 1.105 177.752 176.600 0.078 0.000 1.102 436 K CA 0.575 56.927 56.287 0.108 0.000 1.058 436 K CB 0.465 33.024 32.500 0.098 0.000 0.779 436 K HN 1.298 nan 8.250 nan 0.000 0.483 437 G N -1.553 107.292 108.800 0.074 0.000 2.179 437 G HA2 0.098 4.060 3.960 0.003 0.000 0.220 437 G HA3 0.098 4.060 3.960 0.003 0.000 0.220 437 G C 0.652 175.595 174.900 0.073 0.000 0.990 437 G CA 0.301 45.438 45.100 0.060 0.000 0.646 437 G HN 1.606 nan 8.290 nan 0.000 0.517 438 G N -0.739 108.118 108.800 0.094 0.000 2.947 438 G HA2 0.933 4.895 3.960 0.003 0.000 0.293 438 G HA3 0.933 4.895 3.960 0.003 0.000 0.293 438 G C -0.738 174.265 174.900 0.172 0.000 1.243 438 G CA -0.298 44.894 45.100 0.152 0.000 0.802 438 G HN 1.385 nan 8.290 nan 0.000 0.560 439 F N -1.448 118.407 119.950 -0.158 0.000 2.662 439 F HA 0.607 5.135 4.527 0.002 0.000 0.312 439 F C 0.078 175.727 175.800 -0.250 0.000 1.113 439 F CA -1.348 56.413 58.000 -0.398 0.000 0.951 439 F CB 1.619 40.164 39.000 -0.757 0.000 1.344 439 F HN 0.274 nan 8.300 nan 0.000 0.462 440 N N 0.936 119.355 118.700 -0.469 0.000 2.387 440 N HA 0.173 4.915 4.740 0.003 0.000 0.176 440 N C -0.661 174.593 175.510 -0.428 0.000 1.022 440 N CA 1.155 53.995 53.050 -0.349 0.000 0.883 440 N CB 0.434 38.837 38.487 -0.141 0.000 1.019 440 N HN 0.680 nan 8.380 nan 0.000 0.435 441 F N -2.144 117.344 119.950 -0.770 0.000 2.769 441 F HA 0.418 4.948 4.527 0.004 0.000 0.313 441 F C -1.761 173.811 175.800 -0.380 0.000 1.146 441 F CA -1.700 55.790 58.000 -0.851 0.000 0.934 441 F CB 0.776 39.166 39.000 -1.017 0.000 1.283 441 F HN -0.190 nan 8.300 nan 0.000 0.443 442 Y N 1.965 122.256 120.300 -0.015 0.000 2.364 442 Y HA 0.865 5.417 4.550 0.003 0.000 0.340 442 Y C -1.163 174.815 175.900 0.129 0.000 0.975 442 Y CA -0.884 57.257 58.100 0.068 0.000 1.089 442 Y CB 1.667 40.236 38.460 0.181 0.000 1.192 442 Y HN 1.088 nan 8.280 nan 0.000 0.454 443 A N 3.790 126.196 122.820 -0.690 0.000 2.414 443 A HA 0.928 5.249 4.320 0.003 0.000 0.306 443 A C -0.698 176.421 177.584 -0.775 0.000 1.054 443 A CA -0.189 51.536 52.037 -0.521 0.000 0.724 443 A CB 1.280 20.198 19.000 -0.136 0.000 1.267 443 A HN 1.309 nan 8.150 nan 0.000 0.418 444 G N -0.336 108.253 108.800 -0.352 0.000 2.673 444 G HA2 0.612 4.574 3.960 0.003 0.000 0.292 444 G HA3 0.612 4.574 3.960 0.003 0.000 0.292 444 G C -2.214 172.716 174.900 0.050 0.000 1.450 444 G CA -0.483 44.556 45.100 -0.102 0.000 0.837 444 G HN 1.363 nan 8.290 nan 0.000 0.505 445 L N 0.856 122.120 121.223 0.069 0.000 2.372 445 L HA 0.615 4.957 4.340 0.003 0.000 0.274 445 L C 0.331 177.266 176.870 0.109 0.000 0.988 445 L CA -0.984 53.907 54.840 0.085 0.000 0.833 445 L CB 1.520 43.613 42.059 0.057 0.000 1.236 445 L HN 0.593 nan 8.230 nan 0.000 0.410 446 K N 3.282 123.754 120.400 0.121 0.000 2.489 446 K HA 0.323 4.645 4.320 0.003 0.000 0.278 446 K C 0.214 176.891 176.600 0.128 0.000 1.000 446 K CA 0.411 56.771 56.287 0.123 0.000 1.012 446 K CB 0.413 32.984 32.500 0.118 0.000 0.903 446 K HN 0.921 nan 8.250 nan 0.000 0.485 447 G N 3.848 112.725 108.800 0.129 0.000 2.364 447 G HA2 0.155 4.117 3.960 0.003 0.000 0.267 447 G HA3 0.155 4.117 3.960 0.003 0.000 0.267 447 G C -0.815 174.173 174.900 0.147 0.000 1.233 447 G CA -0.403 44.785 45.100 0.147 0.000 0.885 447 G HN 0.550 nan 8.290 nan 0.000 0.490 448 Q N 0.312 120.216 119.800 0.174 0.000 2.421 448 Q HA 0.653 4.995 4.340 0.003 0.000 0.280 448 Q C -1.277 174.808 176.000 0.143 0.000 1.085 448 Q CA -0.834 55.069 55.803 0.167 0.000 0.807 448 Q CB 2.950 31.825 28.738 0.229 0.000 1.405 448 Q HN 0.415 nan 8.270 nan 0.000 0.419 449 V N 1.634 121.563 119.914 0.026 0.000 2.971 449 V HA 0.446 4.568 4.120 0.003 0.000 0.309 449 V C -1.566 174.375 176.094 -0.255 0.000 1.130 449 V CA -0.802 61.407 62.300 -0.152 0.000 0.964 449 V CB 2.565 34.106 31.823 -0.470 0.000 1.029 449 V HN 0.676 nan 8.190 nan 0.000 0.427 450 L N 6.345 127.336 121.223 -0.385 0.000 2.276 450 L HA 0.719 5.061 4.340 0.003 0.000 0.286 450 L C -0.752 175.788 176.870 -0.551 0.000 1.061 450 L CA 0.304 54.760 54.840 -0.640 0.000 0.807 450 L CB 1.520 43.016 42.059 -0.939 0.000 1.177 450 L HN 0.457 nan 8.230 nan 0.000 0.429 451 V N 6.286 125.707 119.914 -0.821 0.000 2.409 451 V HA 0.409 4.531 4.120 0.003 0.000 0.291 451 V C -0.493 175.177 176.094 -0.707 0.000 1.020 451 V CA -0.651 61.143 62.300 -0.842 0.000 0.848 451 V CB 1.495 32.526 31.823 -1.319 0.000 0.990 451 V HN 0.661 nan 8.190 nan 0.000 0.430 452 L N 6.024 127.031 121.223 -0.359 0.000 2.272 452 L HA 0.722 5.064 4.340 0.003 0.000 0.289 452 L C -0.235 176.539 176.870 -0.159 0.000 1.032 452 L CA 0.078 54.764 54.840 -0.256 0.000 0.810 452 L CB 1.008 42.987 42.059 -0.133 0.000 1.205 452 L HN 0.774 nan 8.230 nan 0.000 0.422 453 R N 3.129 123.566 120.500 -0.105 0.000 2.621 453 R HA 0.715 5.057 4.340 0.003 0.000 0.284 453 R C -1.179 175.155 176.300 0.057 0.000 0.998 453 R CA -0.350 55.754 56.100 0.007 0.000 0.895 453 R CB 1.968 32.324 30.300 0.093 0.000 1.195 453 R HN 0.746 nan 8.270 nan 0.000 0.450 454 T N 0.502 115.132 114.554 0.127 0.000 2.716 454 T HA 0.607 4.959 4.350 0.003 0.000 0.286 454 T C -1.081 173.776 174.700 0.262 0.000 1.052 454 T CA -0.277 61.923 62.100 0.166 0.000 1.024 454 T CB 1.593 70.539 68.868 0.130 0.000 1.349 454 T HN 0.770 nan 8.240 nan 0.000 0.525 455 T N -0.711 114.000 114.554 0.261 0.000 2.887 455 T HA 0.776 5.128 4.350 0.003 0.000 0.292 455 T C -1.002 173.892 174.700 0.324 0.000 1.087 455 T CA -0.661 61.620 62.100 0.302 0.000 1.009 455 T CB 1.401 70.377 68.868 0.179 0.000 1.203 455 T HN 0.882 nan 8.240 nan 0.000 0.518 456 S N 0.037 115.938 115.700 0.336 0.000 2.672 456 S HA 0.601 5.073 4.470 0.003 0.000 0.291 456 S C -0.853 173.784 174.600 0.062 0.000 1.145 456 S CA -0.767 57.555 58.200 0.203 0.000 1.013 456 S CB 1.327 64.729 63.200 0.336 0.000 1.017 456 S HN 0.814 nan 8.310 nan 0.000 0.487 457 T N 3.404 117.989 114.554 0.052 0.000 3.250 457 T HA 0.268 4.620 4.350 0.003 0.000 0.391 457 T C 1.172 175.893 174.700 0.034 0.000 1.502 457 T CA -0.493 61.620 62.100 0.022 0.000 1.320 457 T CB 0.795 69.721 68.868 0.097 0.000 1.102 457 T HN 0.485 nan 8.240 nan 0.000 0.610 458 V N 1.520 121.394 119.914 -0.065 0.000 2.358 458 V HA -0.083 4.038 4.120 0.003 0.000 0.246 458 V C 1.205 177.351 176.094 0.087 0.000 1.047 458 V CA 1.753 64.035 62.300 -0.029 0.000 1.035 458 V CB -0.367 31.324 31.823 -0.220 0.000 0.658 458 V HN 0.843 nan 8.190 nan 0.000 0.452 459 Y N -0.341 119.842 120.300 -0.195 0.000 2.793 459 Y HA 0.240 4.792 4.550 0.003 0.000 0.114 459 Y C 0.736 176.488 175.900 -0.247 0.000 0.937 459 Y CA -0.236 57.792 58.100 -0.120 0.000 1.872 459 Y CB -0.133 38.196 38.460 -0.220 0.000 1.213 459 Y HN 0.269 nan 8.280 nan 0.000 0.218 463 Y N 1.101 121.358 120.300 -0.071 0.000 2.323 463 Y HA 0.583 5.135 4.550 0.003 0.000 0.331 463 Y C 0.525 176.228 175.900 -0.329 0.000 1.092 463 Y CA -1.099 56.833 58.100 -0.281 0.000 1.150 463 Y CB 0.903 39.086 38.460 -0.462 0.000 1.200 463 Y HN 0.301 nan 8.280 nan 0.000 0.472 464 I N 2.972 123.417 120.570 -0.208 0.000 2.330 464 I HA 0.230 4.402 4.170 0.003 0.000 0.289 464 I C -1.179 174.803 176.117 -0.225 0.000 1.001 464 I CA -0.573 60.660 61.300 -0.112 0.000 1.193 464 I CB 0.831 38.812 38.000 -0.031 0.000 1.345 464 I HN 0.489 nan 8.210 nan 0.000 0.461 465 W N 5.306 126.628 121.300 0.036 0.000 2.329 465 W HA 0.414 5.076 4.660 0.003 0.000 0.312 465 W C -0.574 175.823 176.519 -0.202 0.000 1.054 465 W CA -0.470 56.813 57.345 -0.103 0.000 1.245 465 W CB 1.096 30.482 29.460 -0.124 0.000 1.255 465 W HN 0.304 nan 8.180 nan 0.000 0.436 466 D N 2.547 122.873 120.400 -0.124 0.000 2.362 466 D HA 0.434 5.076 4.640 0.003 0.000 0.247 466 D C -1.076 174.885 176.300 -0.564 0.000 1.050 466 D CA -0.587 53.266 54.000 -0.245 0.000 0.839 466 D CB 1.536 42.244 40.800 -0.152 0.000 1.283 466 D HN 0.069 nan 8.370 nan 0.000 0.477 467 F N 1.237 121.038 119.950 -0.247 0.000 2.467 467 F HA 0.521 5.049 4.527 0.003 0.000 0.336 467 F C 0.231 175.632 175.800 -0.665 0.000 1.123 467 F CA -0.875 56.829 58.000 -0.493 0.000 0.964 467 F CB 1.419 40.152 39.000 -0.446 0.000 1.136 467 F HN 0.004 nan 8.300 nan 0.000 0.447 468 I N 3.485 123.618 120.570 -0.728 0.000 2.509 468 I HA 0.422 4.594 4.170 0.003 0.000 0.293 468 I C -1.249 174.249 176.117 -1.032 0.000 1.020 468 I CA -0.660 60.214 61.300 -0.710 0.000 1.088 468 I CB 1.898 39.584 38.000 -0.523 0.000 1.267 468 I HN 0.356 nan 8.210 nan 0.000 0.430 469 F N 4.987 124.610 119.950 -0.544 0.000 2.499 469 F HA 0.477 5.006 4.527 0.003 0.000 0.333 469 F C -0.553 175.205 175.800 -0.070 0.000 1.138 469 F CA -0.651 57.025 58.000 -0.540 0.000 0.945 469 F CB 0.956 39.309 39.000 -1.079 0.000 1.181 469 F HN 0.210 nan 8.300 nan 0.000 0.435 470 Y N 3.264 123.796 120.300 0.387 0.000 2.335 470 Y HA 0.324 4.876 4.550 0.003 0.000 0.323 470 Y C -1.540 174.761 175.900 0.668 0.000 1.224 470 Y CA -2.126 56.232 58.100 0.430 0.000 1.241 470 Y CB 0.697 39.305 38.460 0.247 0.000 1.235 470 Y HN 0.373 nan 8.280 nan 0.000 0.492 471 P HA -0.118 nan 4.420 nan 0.000 0.228 471 P C 0.276 177.765 177.300 0.314 0.000 1.151 471 P CA 1.254 64.615 63.100 0.435 0.000 0.770 471 P CB 0.159 31.996 31.700 0.228 0.000 0.786 472 N N -1.056 117.768 118.700 0.208 0.000 2.295 472 N HA 0.121 4.863 4.740 0.003 0.000 0.221 472 N C 1.063 176.350 175.510 -0.372 0.000 1.129 472 N CA 0.280 53.284 53.050 -0.077 0.000 0.836 472 N CB -0.837 37.625 38.487 -0.041 0.000 1.040 472 N HN 0.089 nan 8.380 nan 0.000 0.494 473 G N -0.773 107.753 108.800 -0.455 0.000 2.159 473 G HA2 -0.256 3.706 3.960 0.003 0.000 0.256 473 G HA3 -0.256 3.706 3.960 0.003 0.000 0.256 473 G C -0.356 174.636 174.900 0.154 0.000 0.977 473 G CA 0.243 44.821 45.100 -0.870 0.000 0.652 473 G HN 0.304 nan 8.290 nan 0.000 0.531 474 V N 1.817 121.933 119.914 0.337 0.000 2.530 474 V HA 0.637 4.759 4.120 0.003 0.000 0.282 474 V C 0.704 177.127 176.094 0.550 0.000 1.048 474 V CA 0.161 62.663 62.300 0.337 0.000 0.997 474 V CB 1.658 33.469 31.823 -0.020 0.000 0.987 474 V HN 0.478 nan 8.190 nan 0.000 0.477 475 M N 4.466 124.261 119.600 0.325 0.000 2.508 475 M HA 0.612 5.094 4.480 0.003 0.000 0.327 475 M C -0.694 175.516 176.300 -0.150 0.000 1.160 475 M CA -0.432 54.806 55.300 -0.105 0.000 0.980 475 M CB 1.968 34.419 32.600 -0.247 0.000 1.693 475 M HN 0.822 nan 8.290 nan 0.000 0.452 476 E N 2.499 122.493 120.200 -0.344 0.000 2.292 476 E HA 0.694 5.045 4.350 0.003 0.000 0.272 476 E C -2.009 174.274 176.600 -0.528 0.000 0.881 476 E CA -0.723 55.462 56.400 -0.357 0.000 0.754 476 E CB 2.212 31.822 29.700 -0.151 0.000 1.201 476 E HN 0.805 nan 8.360 nan 0.000 0.425 477 A N 4.262 126.595 122.820 -0.812 0.000 2.317 477 A HA 0.641 4.963 4.320 0.003 0.000 0.327 477 A C -0.825 176.361 177.584 -0.663 0.000 1.178 477 A CA -0.546 50.987 52.037 -0.838 0.000 0.817 477 A CB 1.080 19.233 19.000 -1.412 0.000 1.189 477 A HN 0.531 nan 8.150 nan 0.000 0.489 478 K N 1.900 122.011 120.400 -0.481 0.000 2.501 478 K HA 0.519 4.841 4.320 0.003 0.000 0.252 478 K C -1.627 174.754 176.600 -0.364 0.000 0.934 478 K CA -0.614 55.424 56.287 -0.415 0.000 0.797 478 K CB 1.746 33.962 32.500 -0.473 0.000 1.270 478 K HN 0.730 nan 8.250 nan 0.000 0.431 479 M N 4.705 124.061 119.600 -0.406 0.000 2.321 479 M HA 0.342 4.824 4.480 0.003 0.000 0.315 479 M C -1.631 174.302 176.300 -0.612 0.000 1.052 479 M CA -0.342 54.609 55.300 -0.582 0.000 0.936 479 M CB 1.161 33.335 32.600 -0.710 0.000 1.639 479 M HN 0.755 nan 8.290 nan 0.000 0.433 480 H N 2.893 121.715 119.070 -0.413 0.000 2.469 480 H HA 0.703 5.261 4.556 0.003 0.000 0.342 480 H C -0.754 174.391 175.328 -0.304 0.000 1.115 480 H CA -0.875 54.991 56.048 -0.304 0.000 1.204 480 H CB 1.619 31.256 29.762 -0.208 0.000 1.492 480 H HN 0.784 nan 8.280 nan 0.000 0.499 481 A N 2.450 125.200 122.820 -0.116 0.000 2.304 481 A HA 0.543 4.865 4.320 0.003 0.000 0.323 481 A C 0.210 177.821 177.584 0.046 0.000 1.195 481 A CA -0.424 51.602 52.037 -0.017 0.000 0.826 481 A CB 1.554 20.508 19.000 -0.076 0.000 1.184 481 A HN 0.714 nan 8.150 nan 0.000 0.496 482 T N 0.614 115.228 114.554 0.100 0.000 2.618 482 T HA 0.770 5.122 4.350 0.003 0.000 0.293 482 T C 0.387 175.110 174.700 0.038 0.000 1.093 482 T CA 1.111 63.236 62.100 0.042 0.000 1.061 482 T CB 0.715 69.582 68.868 -0.002 0.000 1.498 482 T HN 2.704 nan 8.240 nan 0.000 0.494 483 G N 0.068 108.848 108.800 -0.033 0.000 2.615 483 G HA2 -0.117 3.845 3.960 0.003 0.000 0.218 483 G HA3 -0.117 3.845 3.960 0.003 0.000 0.218 483 G C -1.375 173.426 174.900 -0.164 0.000 1.339 483 G CA -0.065 44.980 45.100 -0.092 0.000 0.884 483 G HN 0.833 nan 8.290 nan 0.000 0.559 484 Y N -0.076 120.123 120.300 -0.168 0.000 2.334 484 Y HA 0.492 5.044 4.550 0.003 0.000 0.328 484 Y C 1.311 177.151 175.900 -0.101 0.000 1.130 484 Y CA -0.053 57.949 58.100 -0.163 0.000 1.163 484 Y CB 1.622 39.858 38.460 -0.374 0.000 1.207 484 Y HN 0.804 nan 8.280 nan 0.000 0.471 485 V N -0.124 119.899 119.914 0.181 0.000 3.051 485 V HA 0.186 4.308 4.120 0.003 0.000 0.306 485 V C -0.229 175.974 176.094 0.181 0.000 1.083 485 V CA -0.730 61.686 62.300 0.194 0.000 1.104 485 V CB 0.717 32.654 31.823 0.190 0.000 1.027 485 V HN 0.824 nan 8.190 nan 0.000 0.483 486 H N 2.290 121.388 119.070 0.047 0.000 2.742 486 H HA 0.718 5.276 4.556 0.003 0.000 0.302 486 H C -0.007 175.325 175.328 0.007 0.000 1.069 486 H CA 0.649 56.685 56.048 -0.020 0.000 1.446 486 H CB 0.500 30.111 29.762 -0.251 0.000 1.462 486 H HN 1.260 nan 8.280 nan 0.000 0.499 487 A N 3.929 126.642 122.820 -0.179 0.000 2.515 487 A HA 0.698 5.019 4.320 0.003 0.000 0.296 487 A C -0.545 176.973 177.584 -0.110 0.000 1.094 487 A CA -0.195 51.793 52.037 -0.081 0.000 0.718 487 A CB 1.254 20.302 19.000 0.080 0.000 1.307 487 A HN 0.836 nan 8.150 nan 0.000 0.408 488 T N -1.999 112.554 114.554 -0.003 0.000 2.864 488 T HA 0.656 5.008 4.350 0.003 0.000 0.289 488 T C -0.511 174.332 174.700 0.238 0.000 1.082 488 T CA -0.556 61.575 62.100 0.051 0.000 1.009 488 T CB 0.829 69.639 68.868 -0.096 0.000 1.234 488 T HN 0.874 nan 8.240 nan 0.000 0.526 489 F N 2.221 122.253 119.950 0.137 0.000 2.538 489 F HA 0.348 4.877 4.527 0.003 0.000 0.371 489 F C 0.175 176.192 175.800 0.361 0.000 1.087 489 F CA -1.209 56.939 58.000 0.248 0.000 1.250 489 F CB 0.150 39.302 39.000 0.253 0.000 1.110 489 F HN 0.683 nan 8.300 nan 0.000 0.570 490 Y N 6.283 126.355 120.300 -0.380 0.000 2.544 490 Y HA 0.330 4.882 4.550 0.003 0.000 0.330 490 Y C 0.202 175.963 175.900 -0.232 0.000 1.136 490 Y CA 0.295 58.233 58.100 -0.270 0.000 1.417 490 Y CB 0.166 38.440 38.460 -0.311 0.000 1.229 490 Y HN 0.726 nan 8.280 nan 0.000 0.532 491 T N 3.429 117.496 114.554 -0.812 0.000 2.901 491 T HA 0.408 4.760 4.350 0.003 0.000 0.293 491 T C -2.303 171.711 174.700 -1.143 0.000 1.084 491 T CA -2.245 59.343 62.100 -0.855 0.000 1.008 491 T CB 2.011 70.809 68.868 -0.116 0.000 1.170 491 T HN 0.291 nan 8.240 nan 0.000 0.509 492 P HA -0.088 nan 4.420 nan 0.000 0.216 492 P C 1.058 178.229 177.300 -0.214 0.000 1.150 492 P CA 1.182 64.104 63.100 -0.298 0.000 0.843 492 P CB 0.044 31.682 31.700 -0.103 0.000 0.787 493 E N -0.959 119.140 120.200 -0.169 0.000 2.265 493 E HA -0.078 4.274 4.350 0.003 0.000 0.196 493 E C 2.196 178.715 176.600 -0.135 0.000 0.996 493 E CA 1.261 57.626 56.400 -0.058 0.000 0.832 493 E CB -1.332 28.414 29.700 0.077 0.000 0.756 493 E HN 0.242 nan 8.360 nan 0.000 0.491 494 G N 0.469 108.925 108.800 -0.573 0.000 2.470 494 G HA2 -0.225 3.737 3.960 0.003 0.000 0.220 494 G HA3 -0.225 3.737 3.960 0.003 0.000 0.220 494 G C 1.332 176.067 174.900 -0.274 0.000 1.121 494 G CA 0.416 44.932 45.100 -0.973 0.000 0.766 494 G HN 0.229 nan 8.290 nan 0.000 0.553 495 L N -0.410 120.716 121.223 -0.162 0.000 2.362 495 L HA 0.052 4.394 4.340 0.003 0.000 0.219 495 L C 2.809 179.630 176.870 -0.081 0.000 1.134 495 L CA 0.397 55.201 54.840 -0.060 0.000 0.807 495 L CB -0.188 41.861 42.059 -0.016 0.000 0.927 495 L HN 0.165 nan 8.230 nan 0.000 0.447 496 R N -0.878 119.539 120.500 -0.139 0.000 2.307 496 R HA 0.000 4.342 4.340 0.003 0.000 0.199 496 R C 0.594 176.589 176.300 -0.508 0.000 1.000 496 R CA 0.567 56.478 56.100 -0.316 0.000 1.023 496 R CB 0.040 30.087 30.300 -0.422 0.000 0.908 496 R HN 0.508 nan 8.270 nan 0.000 0.473 497 H N -1.277 117.792 119.070 -0.001 0.000 2.865 497 H HA 0.352 4.910 4.556 0.003 0.000 0.247 497 H C 0.575 175.937 175.328 0.058 0.000 1.181 497 H CA 0.365 56.437 56.048 0.040 0.000 0.975 497 H CB 1.446 31.257 29.762 0.082 0.000 1.899 497 H HN 0.297 nan 8.280 nan 0.000 0.651 498 G N 0.196 109.057 108.800 0.102 0.000 2.344 498 G HA2 0.147 4.109 3.960 0.003 0.000 0.282 498 G HA3 0.147 4.109 3.960 0.003 0.000 0.282 498 G C -1.443 173.495 174.900 0.063 0.000 1.281 498 G CA -0.650 44.510 45.100 0.099 0.000 0.877 498 G HN 0.016 nan 8.290 nan 0.000 0.494 499 T N 0.402 115.000 114.554 0.074 0.000 2.848 499 T HA 0.573 4.924 4.350 0.003 0.000 0.285 499 T C -0.014 174.717 174.700 0.052 0.000 0.995 499 T CA -0.604 61.531 62.100 0.059 0.000 0.970 499 T CB 1.942 70.855 68.868 0.076 0.000 0.976 499 T HN 0.653 nan 8.240 nan 0.000 0.441 500 R N 3.107 123.619 120.500 0.020 0.000 2.370 500 R HA 0.280 4.622 4.340 0.003 0.000 0.309 500 R C 0.343 176.596 176.300 -0.079 0.000 1.059 500 R CA -0.075 55.995 56.100 -0.050 0.000 0.981 500 R CB 0.065 30.242 30.300 -0.204 0.000 0.972 500 R HN 0.655 nan 8.270 nan 0.000 0.437 501 L N 3.054 124.240 121.223 -0.062 0.000 2.609 501 L HA 0.280 4.622 4.340 0.003 0.000 0.230 501 L C 0.906 177.723 176.870 -0.088 0.000 1.087 501 L CA -0.107 54.707 54.840 -0.043 0.000 0.874 501 L CB 0.077 42.151 42.059 0.024 0.000 1.114 501 L HN 0.662 nan 8.230 nan 0.000 0.488 502 H N -1.584 117.305 119.070 -0.301 0.000 2.883 502 H HA 0.120 4.677 4.556 0.003 0.000 0.277 502 H C 0.206 175.254 175.328 -0.467 0.000 1.451 502 H CA -0.038 55.731 56.048 -0.465 0.000 1.157 502 H CB 1.643 30.920 29.762 -0.809 0.000 1.851 502 H HN -0.290 nan 8.280 nan 0.000 0.566 503 T N 0.046 114.260 114.554 -0.566 0.000 2.665 503 T HA -0.150 4.202 4.350 0.003 0.000 0.268 503 T C 0.869 175.176 174.700 -0.656 0.000 1.035 503 T CA 1.511 63.230 62.100 -0.634 0.000 1.151 503 T CB -0.278 68.194 68.868 -0.660 0.000 0.862 503 T HN 0.433 nan 8.240 nan 0.000 0.438 504 H N -0.548 118.443 119.070 -0.133 0.000 2.486 504 H HA 0.499 5.057 4.556 0.003 0.000 0.284 504 H C -0.618 174.641 175.328 -0.115 0.000 1.103 504 H CA -0.424 55.522 56.048 -0.170 0.000 1.089 504 H CB 0.104 29.868 29.762 0.003 0.000 1.603 504 H HN 0.166 nan 8.280 nan 0.000 0.557 505 L N 1.726 122.954 121.223 0.009 0.000 2.381 505 L HA 0.408 4.750 4.340 0.003 0.000 0.274 505 L C -1.118 175.807 176.870 0.091 0.000 0.988 505 L CA -0.597 54.290 54.840 0.079 0.000 0.824 505 L CB 1.748 43.839 42.059 0.052 0.000 1.263 505 L HN -0.048 nan 8.230 nan 0.000 0.410 506 I N 4.048 124.709 120.570 0.152 0.000 2.354 506 I HA 0.394 4.566 4.170 0.003 0.000 0.292 506 I C 0.671 176.861 176.117 0.122 0.000 0.989 506 I CA -0.344 61.044 61.300 0.148 0.000 1.188 506 I CB 1.533 39.642 38.000 0.181 0.000 1.342 506 I HN 0.761 nan 8.210 nan 0.000 0.457 507 G N 5.843 114.706 108.800 0.105 0.000 2.391 507 G HA2 0.203 4.165 3.960 0.003 0.000 0.305 507 G HA3 0.203 4.165 3.960 0.003 0.000 0.305 507 G C 0.043 175.030 174.900 0.145 0.000 1.072 507 G CA -0.422 44.744 45.100 0.111 0.000 1.016 507 G HN 0.620 nan 8.290 nan 0.000 0.418 508 N N 1.173 119.984 118.700 0.185 0.000 2.492 508 N HA 0.062 4.804 4.740 0.003 0.000 0.262 508 N C 0.541 176.271 175.510 0.366 0.000 1.202 508 N CA -0.257 52.957 53.050 0.273 0.000 0.926 508 N CB 1.500 40.171 38.487 0.306 0.000 1.078 508 N HN 0.562 nan 8.380 nan 0.000 0.454 509 I N 3.450 124.176 120.570 0.260 0.000 2.752 509 I HA -0.016 4.156 4.170 0.003 0.000 0.287 509 I C 0.033 176.242 176.117 0.152 0.000 1.188 509 I CA 0.330 61.722 61.300 0.154 0.000 1.427 509 I CB 0.047 38.099 38.000 0.086 0.000 1.365 509 I HN 0.708 nan 8.210 nan 0.000 0.585 510 H N 2.931 121.877 119.070 -0.207 0.000 2.967 510 H HA 0.432 4.990 4.556 0.003 0.000 0.318 510 H C -1.604 173.526 175.328 -0.330 0.000 1.375 510 H CA -1.031 54.739 56.048 -0.463 0.000 1.132 510 H CB 1.033 30.067 29.762 -1.214 0.000 1.848 510 H HN 0.369 nan 8.280 nan 0.000 0.524 511 T N 1.748 116.095 114.554 -0.345 0.000 2.824 511 T HA 0.263 4.615 4.350 0.003 0.000 0.282 511 T C -0.424 174.076 174.700 -0.333 0.000 0.993 511 T CA -0.674 61.239 62.100 -0.312 0.000 0.967 511 T CB 0.832 69.579 68.868 -0.201 0.000 0.960 511 T HN 0.422 nan 8.240 nan 0.000 0.441 512 H N 3.087 121.924 119.070 -0.390 0.000 2.580 512 H HA 0.459 5.017 4.556 0.003 0.000 0.322 512 H C -0.497 174.723 175.328 -0.180 0.000 1.082 512 H CA -0.171 55.675 56.048 -0.336 0.000 1.383 512 H CB 1.008 30.304 29.762 -0.776 0.000 1.450 512 H HN 0.337 nan 8.280 nan 0.000 0.505 513 L N 3.483 124.787 121.223 0.135 0.000 2.410 513 L HA 0.388 4.730 4.340 0.003 0.000 0.270 513 L C -0.548 176.572 176.870 0.418 0.000 0.983 513 L CA -0.844 54.161 54.840 0.276 0.000 0.822 513 L CB 2.353 44.570 42.059 0.264 0.000 1.285 513 L HN 0.236 nan 8.230 nan 0.000 0.409 514 V N 1.449 121.595 119.914 0.387 0.000 2.604 514 V HA 0.401 4.523 4.120 0.003 0.000 0.305 514 V C -0.642 175.547 176.094 0.159 0.000 1.043 514 V CA -0.547 61.907 62.300 0.257 0.000 0.888 514 V CB 1.993 33.963 31.823 0.244 0.000 0.995 514 V HN 0.665 nan 8.190 nan 0.000 0.429 515 H N 3.581 122.394 119.070 -0.429 0.000 2.459 515 H HA 0.528 5.086 4.556 0.003 0.000 0.332 515 H C -1.715 173.410 175.328 -0.339 0.000 1.094 515 H CA -0.413 55.297 56.048 -0.563 0.000 1.224 515 H CB 1.388 30.247 29.762 -1.504 0.000 1.449 515 H HN 0.610 nan 8.280 nan 0.000 0.484 516 Y N 2.683 122.772 120.300 -0.352 0.000 2.429 516 Y HA 0.251 4.803 4.550 0.003 0.000 0.342 516 Y C 0.272 175.954 175.900 -0.363 0.000 1.004 516 Y CA -0.838 57.142 58.100 -0.199 0.000 1.075 516 Y CB 1.532 40.046 38.460 0.090 0.000 1.214 516 Y HN 0.475 nan 8.280 nan 0.000 0.455 517 R N 2.307 122.745 120.500 -0.103 0.000 2.265 517 R HA 0.638 4.980 4.340 0.003 0.000 0.319 517 R C -1.813 174.304 176.300 -0.305 0.000 1.006 517 R CA -0.393 55.463 56.100 -0.406 0.000 0.880 517 R CB 0.632 30.663 30.300 -0.447 0.000 1.077 517 R HN 0.575 nan 8.270 nan 0.000 0.454 518 V N 4.602 124.247 119.914 -0.450 0.000 2.315 518 V HA 0.080 4.202 4.120 0.003 0.000 0.265 518 V C -0.512 175.350 176.094 -0.386 0.000 1.019 518 V CA -0.762 61.325 62.300 -0.355 0.000 0.824 518 V CB 0.866 32.432 31.823 -0.427 0.000 1.072 518 V HN 0.736 nan 8.190 nan 0.000 0.448 519 D N 4.040 124.275 120.400 -0.275 0.000 2.551 519 D HA 0.204 4.846 4.640 0.003 0.000 0.223 519 D C 0.246 176.461 176.300 -0.141 0.000 1.144 519 D CA 0.037 53.936 54.000 -0.168 0.000 1.025 519 D CB 0.112 40.915 40.800 0.006 0.000 1.085 519 D HN 0.439 nan 8.370 nan 0.000 0.506 520 L N 2.220 123.300 121.223 -0.239 0.000 2.453 520 L HA 0.172 4.514 4.340 0.003 0.000 0.272 520 L C 0.304 177.115 176.870 -0.098 0.000 1.182 520 L CA 0.209 54.923 54.840 -0.209 0.000 0.858 520 L CB 0.560 42.423 42.059 -0.326 0.000 1.120 520 L HN 0.128 nan 8.230 nan 0.000 0.474 521 D N 2.258 122.616 120.400 -0.069 0.000 2.441 521 D HA 0.202 4.843 4.640 0.003 0.000 0.287 521 D C -0.599 175.695 176.300 -0.010 0.000 1.198 521 D CA -0.186 53.797 54.000 -0.028 0.000 0.894 521 D CB 1.325 42.108 40.800 -0.028 0.000 1.070 521 D HN 0.020 nan 8.370 nan 0.000 0.499 522 V N 1.529 121.475 119.914 0.053 0.000 2.421 522 V HA 0.289 4.411 4.120 0.003 0.000 0.271 522 V C 1.321 177.540 176.094 0.210 0.000 1.031 522 V CA 0.051 62.437 62.300 0.143 0.000 1.032 522 V CB 0.296 32.272 31.823 0.255 0.000 1.009 522 V HN 0.730 nan 8.190 nan 0.000 0.477 523 A N 3.740 126.723 122.820 0.271 0.000 2.798 523 A HA 0.056 4.378 4.320 0.003 0.000 0.282 523 A C 1.176 178.795 177.584 0.058 0.000 1.464 523 A CA 1.381 53.516 52.037 0.164 0.000 0.844 523 A CB -1.506 17.524 19.000 0.050 0.000 1.006 523 A HN 2.653 nan 8.150 nan 0.000 0.577 524 G N -3.979 104.841 108.800 0.034 0.000 2.350 524 G HA2 0.405 4.367 3.960 0.003 0.000 0.529 524 G HA3 0.405 4.367 3.960 0.003 0.000 0.529 524 G C 0.690 175.588 174.900 -0.004 0.000 1.297 524 G CA 0.722 45.825 45.100 0.005 0.000 0.995 524 G HN 1.880 nan 8.290 nan 0.000 0.546 525 T N -1.728 112.808 114.554 -0.029 0.000 2.851 525 T HA 0.130 4.482 4.350 0.003 0.000 0.262 525 T C 0.926 175.619 174.700 -0.011 0.000 1.043 525 T CA 1.381 63.449 62.100 -0.052 0.000 1.140 525 T CB -0.050 68.757 68.868 -0.101 0.000 0.872 525 T HN 0.442 nan 8.240 nan 0.000 0.446 526 K N 3.087 123.490 120.400 0.005 0.000 2.310 526 K HA 0.401 4.723 4.320 0.003 0.000 0.290 526 K C -0.706 175.927 176.600 0.055 0.000 1.077 526 K CA 0.100 56.402 56.287 0.025 0.000 0.922 526 K CB 0.487 32.996 32.500 0.015 0.000 1.057 526 K HN 0.562 nan 8.250 nan 0.000 0.479 527 N N 0.002 118.752 118.700 0.083 0.000 2.509 527 N HA 0.323 5.065 4.740 0.003 0.000 0.280 527 N C -0.924 174.665 175.510 0.132 0.000 1.306 527 N CA -0.691 52.437 53.050 0.129 0.000 0.782 527 N CB 1.785 40.390 38.487 0.198 0.000 1.493 527 N HN 0.512 nan 8.380 nan 0.000 0.498 528 S N -0.424 115.363 115.700 0.145 0.000 2.709 528 S HA 0.665 5.137 4.470 0.003 0.000 0.302 528 S C -1.385 173.311 174.600 0.160 0.000 1.127 528 S CA -0.723 57.558 58.200 0.135 0.000 0.905 528 S CB 1.534 64.781 63.200 0.079 0.000 1.151 528 S HN 0.466 nan 8.310 nan 0.000 0.510 529 F N 1.649 121.561 119.950 -0.063 0.000 2.507 529 F HA 0.657 5.186 4.527 0.003 0.000 0.325 529 F C -0.635 175.098 175.800 -0.112 0.000 1.116 529 F CA -0.409 57.423 58.000 -0.280 0.000 0.930 529 F CB 1.801 40.567 39.000 -0.390 0.000 1.146 529 F HN 0.965 nan 8.300 nan 0.000 0.447 530 Q N 2.904 122.146 119.800 -0.930 0.000 2.501 530 Q HA 0.758 5.100 4.340 0.003 0.000 0.288 530 Q C -1.750 173.799 176.000 -0.751 0.000 1.051 530 Q CA -1.047 54.436 55.803 -0.534 0.000 0.788 530 Q CB 2.442 31.074 28.738 -0.176 0.000 1.469 530 Q HN 0.678 nan 8.270 nan 0.000 0.416 531 T N -0.635 113.765 114.554 -0.257 0.000 2.907 531 T HA 0.751 5.103 4.350 0.003 0.000 0.292 531 T C -0.623 174.044 174.700 -0.055 0.000 1.043 531 T CA -0.861 61.130 62.100 -0.181 0.000 1.003 531 T CB 1.023 69.878 68.868 -0.021 0.000 1.084 531 T HN 0.556 nan 8.240 nan 0.000 0.483 532 L N 1.092 122.285 121.223 -0.049 0.000 2.362 532 L HA 0.853 5.195 4.340 0.003 0.000 0.271 532 L C 0.255 177.126 176.870 0.001 0.000 1.002 532 L CA -0.954 53.849 54.840 -0.061 0.000 0.818 532 L CB 1.546 43.478 42.059 -0.212 0.000 1.298 532 L HN 1.038 nan 8.230 nan 0.000 0.420 533 Q N 2.836 122.634 119.800 -0.002 0.000 2.451 533 Q HA 0.678 5.019 4.340 0.003 0.000 0.281 533 Q C -1.041 174.961 176.000 0.003 0.000 1.099 533 Q CA -0.809 55.010 55.803 0.027 0.000 0.806 533 Q CB 2.834 31.599 28.738 0.046 0.000 1.419 533 Q HN 0.635 nan 8.270 nan 0.000 0.427 534 M N 1.975 121.586 119.600 0.019 0.000 2.188 534 M HA 0.496 4.977 4.480 0.003 0.000 0.357 534 M C -1.026 175.287 176.300 0.021 0.000 1.204 534 M CA -0.071 55.237 55.300 0.014 0.000 1.095 534 M CB 0.435 33.048 32.600 0.022 0.000 1.604 534 M HN 0.831 nan 8.290 nan 0.000 0.464 535 K N 5.309 125.718 120.400 0.016 0.000 2.443 535 K HA 0.545 4.867 4.320 0.003 0.000 0.252 535 K C -1.445 175.165 176.600 0.016 0.000 0.933 535 K CA -0.651 55.647 56.287 0.018 0.000 0.792 535 K CB 1.768 34.278 32.500 0.017 0.000 1.185 535 K HN 0.766 nan 8.250 nan 0.000 0.425 536 L N 3.841 125.074 121.223 0.017 0.000 2.439 536 L HA 0.228 4.570 4.340 0.003 0.000 0.269 536 L C 0.440 177.318 176.870 0.013 0.000 1.179 536 L CA -0.004 54.845 54.840 0.015 0.000 0.828 536 L CB 0.764 42.833 42.059 0.016 0.000 1.106 536 L HN 0.746 nan 8.230 nan 0.000 0.467 537 E N 1.740 121.948 120.200 0.012 0.000 2.263 537 E HA 0.386 4.738 4.350 0.003 0.000 0.264 537 E C -1.093 175.512 176.600 0.008 0.000 0.923 537 E CA -1.002 55.404 56.400 0.010 0.000 0.802 537 E CB 2.017 31.723 29.700 0.010 0.000 1.228 537 E HN 0.381 nan 8.360 nan 0.000 0.417 538 N N 2.300 121.003 118.700 0.004 0.000 2.540 538 N HA 0.301 5.043 4.740 0.003 0.000 0.275 538 N C -1.215 174.293 175.510 -0.004 0.000 1.053 538 N CA -0.668 52.382 53.050 0.000 0.000 0.876 538 N CB 0.806 39.293 38.487 -0.000 0.000 1.284 538 N HN 0.721 nan 8.380 nan 0.000 0.518 539 I N -1.027 119.538 120.570 -0.007 0.000 2.957 539 I HA 0.611 4.783 4.170 0.003 0.000 0.310 539 I C -0.013 176.088 176.117 -0.027 0.000 1.063 539 I CA -0.804 60.489 61.300 -0.012 0.000 1.033 539 I CB 1.779 39.777 38.000 -0.004 0.000 1.230 539 I HN 0.072 nan 8.210 nan 0.000 0.447 540 T N 2.904 117.439 114.554 -0.032 0.000 2.902 540 T HA -0.002 4.350 4.350 0.003 0.000 0.301 540 T C 0.357 175.013 174.700 -0.074 0.000 1.012 540 T CA 0.098 62.167 62.100 -0.052 0.000 1.151 540 T CB -0.336 68.505 68.868 -0.046 0.000 0.946 540 T HN 0.599 nan 8.240 nan 0.000 0.542 541 N N 4.530 123.153 118.700 -0.127 0.000 2.434 541 N HA 0.035 4.777 4.740 0.003 0.000 0.268 541 N C -1.705 173.665 175.510 -0.233 0.000 1.256 541 N CA -1.962 50.939 53.050 -0.247 0.000 0.914 541 N CB 1.216 39.451 38.487 -0.420 0.000 1.088 541 N HN 0.224 nan 8.380 nan 0.000 0.478 542 P HA -0.023 nan 4.420 nan 0.000 0.223 542 P C 0.849 178.194 177.300 0.074 0.000 1.151 542 P CA 1.017 64.121 63.100 0.007 0.000 0.787 542 P CB -0.093 31.664 31.700 0.094 0.000 0.788 543 W N -2.155 119.159 121.300 0.023 0.000 3.127 543 W HA 0.521 5.183 4.660 0.004 0.000 0.344 543 W C -0.369 176.173 176.519 0.038 0.000 1.151 543 W CA -0.129 57.230 57.345 0.022 0.000 1.765 543 W CB -0.276 29.190 29.460 0.010 0.000 1.085 543 W HN -0.083 nan 8.180 nan 0.000 0.596 544 S N 1.894 117.389 115.700 -0.341 0.000 2.488 544 S HA 0.322 4.794 4.470 0.003 0.000 0.151 544 S C -2.047 172.477 174.600 -0.128 0.000 1.401 544 S CA -0.686 57.382 58.200 -0.220 0.000 1.221 544 S CB 0.713 63.650 63.200 -0.439 0.000 1.407 544 S HN -0.308 nan 8.310 nan 0.000 0.406 545 P HA 0.025 nan 4.420 nan 0.000 0.225 545 P C 1.057 178.280 177.300 -0.128 0.000 1.148 545 P CA 0.583 63.629 63.100 -0.090 0.000 0.779 545 P CB 0.070 31.738 31.700 -0.053 0.000 0.780 546 R N -1.856 118.531 120.500 -0.189 0.000 2.316 546 R HA 0.003 4.345 4.340 0.003 0.000 0.202 546 R C 0.318 176.294 176.300 -0.540 0.000 1.029 546 R CA 0.560 56.443 56.100 -0.361 0.000 1.018 546 R CB -0.421 29.600 30.300 -0.465 0.000 0.888 546 R HN 0.457 nan 8.270 nan 0.000 0.471 547 H N -0.904 118.075 119.070 -0.152 0.000 2.754 547 H HA 0.436 4.994 4.556 0.004 0.000 0.352 547 H C -0.173 175.059 175.328 -0.159 0.000 1.213 547 H CA -0.925 55.026 56.048 -0.162 0.000 1.244 547 H CB 1.029 30.656 29.762 -0.224 0.000 1.843 547 H HN -0.283 nan 8.280 nan 0.000 0.587 548 R N 0.539 121.046 120.500 0.011 0.000 2.778 548 R HA 0.516 4.858 4.340 0.003 0.000 0.277 548 R C -1.208 175.068 176.300 -0.040 0.000 0.977 548 R CA -1.043 55.039 56.100 -0.030 0.000 0.950 548 R CB 2.040 32.330 30.300 -0.017 0.000 1.165 548 R HN 0.315 nan 8.270 nan 0.000 0.474 549 V N 2.351 122.243 119.914 -0.038 0.000 2.357 549 V HA 0.290 4.412 4.120 0.003 0.000 0.284 549 V C -0.304 175.790 176.094 -0.000 0.000 1.018 549 V CA -0.770 61.521 62.300 -0.015 0.000 0.841 549 V CB 1.901 33.721 31.823 -0.004 0.000 0.991 549 V HN 0.391 nan 8.190 nan 0.000 0.437 550 V N 6.917 126.835 119.914 0.007 0.000 2.328 550 V HA 0.572 4.694 4.120 0.003 0.000 0.278 550 V C -0.094 176.010 176.094 0.017 0.000 1.021 550 V CA -0.306 62.001 62.300 0.010 0.000 0.838 550 V CB 1.209 33.038 31.823 0.009 0.000 0.999 550 V HN 1.053 nan 8.190 nan 0.000 0.447 551 Q N 5.184 124.995 119.800 0.018 0.000 2.462 551 Q HA 0.664 5.006 4.340 0.003 0.000 0.285 551 Q C -3.147 172.865 176.000 0.019 0.000 1.035 551 Q CA -2.327 53.489 55.803 0.022 0.000 0.799 551 Q CB 2.574 31.329 28.738 0.028 0.000 1.452 551 Q HN 0.319 nan 8.270 nan 0.000 0.404 552 P HA 0.068 nan 4.420 nan 0.000 0.268 552 P C -0.810 176.498 177.300 0.013 0.000 1.205 552 P CA 0.323 63.432 63.100 0.015 0.000 0.771 552 P CB 0.772 32.481 31.700 0.015 0.000 0.858 553 T N 0.279 114.839 114.554 0.010 0.000 2.916 553 T HA 0.592 4.944 4.350 0.003 0.000 0.292 553 T C -0.895 173.804 174.700 -0.001 0.000 1.064 553 T CA -0.955 61.149 62.100 0.007 0.000 1.011 553 T CB 0.915 69.789 68.868 0.009 0.000 1.152 553 T HN 0.138 nan 8.240 nan 0.000 0.510 554 L N 1.618 122.838 121.223 -0.005 0.000 2.265 554 L HA 0.581 4.923 4.340 0.003 0.000 0.289 554 L C -0.032 176.832 176.870 -0.009 0.000 1.033 554 L CA -0.384 54.445 54.840 -0.018 0.000 0.814 554 L CB 0.579 42.625 42.059 -0.022 0.000 1.203 554 L HN 0.931 nan 8.230 nan 0.000 0.423 555 E N 3.593 123.786 120.200 -0.012 0.000 2.166 555 E HA 0.660 5.012 4.350 0.003 0.000 0.275 555 E C -1.123 175.473 176.600 -0.008 0.000 0.941 555 E CA -0.422 55.976 56.400 -0.003 0.000 0.784 555 E CB 1.250 30.953 29.700 0.006 0.000 1.115 555 E HN 0.756 nan 8.360 nan 0.000 0.399 556 Q N 2.113 121.911 119.800 -0.003 0.000 2.312 556 Q HA 0.480 4.822 4.340 0.003 0.000 0.263 556 Q C -0.779 175.217 176.000 -0.007 0.000 0.995 556 Q CA -0.707 55.092 55.803 -0.005 0.000 0.853 556 Q CB 1.902 30.642 28.738 0.004 0.000 1.300 556 Q HN 0.576 nan 8.270 nan 0.000 0.448 557 T N 2.899 117.454 114.554 0.002 0.000 2.812 557 T HA 0.506 4.858 4.350 0.003 0.000 0.282 557 T C -0.691 173.993 174.700 -0.027 0.000 0.990 557 T CA -0.588 61.487 62.100 -0.041 0.000 0.960 557 T CB 1.255 70.094 68.868 -0.048 0.000 0.948 557 T HN 0.664 nan 8.240 nan 0.000 0.438 558 Q N 1.938 121.682 119.800 -0.094 0.000 2.222 558 Q HA 0.466 4.808 4.340 0.003 0.000 0.252 558 Q C -1.196 174.724 176.000 -0.132 0.000 0.926 558 Q CA -0.514 55.282 55.803 -0.013 0.000 0.899 558 Q CB 1.399 30.130 28.738 -0.012 0.000 1.250 558 Q HN 0.649 nan 8.270 nan 0.000 0.441 559 Y N -0.505 119.816 120.300 0.035 0.000 2.350 559 Y HA 0.262 4.814 4.550 0.003 0.000 0.338 559 Y C 0.796 176.708 175.900 0.021 0.000 0.961 559 Y CA -0.471 57.693 58.100 0.107 0.000 1.100 559 Y CB 2.156 40.790 38.460 0.289 0.000 1.179 559 Y HN 0.546 nan 8.280 nan 0.000 0.454 560 S N 1.281 117.008 115.700 0.045 0.000 2.506 560 S HA 0.145 4.617 4.470 0.003 0.000 0.219 560 S C -0.816 173.415 174.600 -0.615 0.000 1.031 560 S CA -0.100 57.890 58.200 -0.351 0.000 0.911 560 S CB 0.309 63.181 63.200 -0.547 0.000 0.812 560 S HN 0.630 nan 8.310 nan 0.000 0.497 561 W N 1.257 122.633 121.300 0.126 0.000 3.032 561 W HA 0.482 5.144 4.660 0.003 0.000 0.335 561 W C 0.706 177.278 176.519 0.089 0.000 1.154 561 W CA -0.816 56.583 57.345 0.090 0.000 1.204 561 W CB 0.776 30.272 29.460 0.059 0.000 1.416 561 W HN -0.121 nan 8.180 nan 0.000 0.521 562 E N 0.500 120.877 120.200 0.296 0.000 2.070 562 E HA -0.307 4.045 4.350 0.003 0.000 0.197 562 E C 2.025 178.686 176.600 0.102 0.000 1.004 562 E CA 1.492 57.985 56.400 0.156 0.000 0.805 562 E CB 0.045 29.814 29.700 0.116 0.000 0.744 562 E HN 0.212 nan 8.360 nan 0.000 0.451 563 R N 1.389 121.962 120.500 0.122 0.000 2.127 563 R HA -0.154 4.188 4.340 0.003 0.000 0.238 563 R C 1.875 178.198 176.300 0.038 0.000 1.134 563 R CA 1.579 57.711 56.100 0.054 0.000 0.975 563 R CB -0.274 30.061 30.300 0.059 0.000 0.865 563 R HN 0.274 nan 8.270 nan 0.000 0.447 564 Q N -1.282 118.597 119.800 0.130 0.000 2.224 564 Q HA 0.013 4.354 4.340 0.003 0.000 0.203 564 Q C 1.140 177.201 176.000 0.101 0.000 0.970 564 Q CA 1.428 57.326 55.803 0.159 0.000 0.865 564 Q CB 0.083 28.998 28.738 0.295 0.000 0.922 564 Q HN 0.402 nan 8.270 nan 0.000 0.445 565 A N 0.056 122.882 122.820 0.009 0.000 2.465 565 A HA 0.479 4.801 4.320 0.003 0.000 0.255 565 A C 0.459 177.837 177.584 -0.343 0.000 1.274 565 A CA -0.113 51.771 52.037 -0.255 0.000 0.920 565 A CB 0.409 19.271 19.000 -0.229 0.000 1.033 565 A HN 0.179 nan 8.150 nan 0.000 0.516 566 A N 0.436 123.064 122.820 -0.320 0.000 2.506 566 A HA 0.637 4.959 4.320 0.003 0.000 0.320 566 A C -0.792 176.715 177.584 -0.128 0.000 1.424 566 A CA -0.300 51.579 52.037 -0.264 0.000 1.044 566 A CB -0.705 18.062 19.000 -0.388 0.000 1.140 566 A HN 0.287 nan 8.150 nan 0.000 0.538 567 F N 2.355 122.395 119.950 0.149 0.000 2.404 567 F HA 0.383 4.912 4.527 0.003 0.000 0.358 567 F C 1.119 177.047 175.800 0.213 0.000 1.120 567 F CA -0.071 58.031 58.000 0.170 0.000 1.144 567 F CB 1.139 40.192 39.000 0.089 0.000 1.133 567 F HN 0.526 nan 8.300 nan 0.000 0.495 568 R N 2.348 123.027 120.500 0.300 0.000 2.577 568 R HA 0.264 4.606 4.340 0.003 0.000 0.269 568 R C 0.778 177.105 176.300 0.045 0.000 1.084 568 R CA -0.587 55.576 56.100 0.106 0.000 1.163 568 R CB 0.576 30.937 30.300 0.101 0.000 1.100 568 R HN 0.612 nan 8.270 nan 0.000 0.547 569 F N 1.374 121.375 119.950 0.085 0.000 2.202 569 F HA -0.222 4.307 4.527 0.003 0.000 0.301 569 F C 2.716 178.563 175.800 0.078 0.000 1.082 569 F CA 2.036 60.082 58.000 0.077 0.000 1.313 569 F CB -0.177 38.840 39.000 0.029 0.000 1.024 569 F HN 0.637 nan 8.300 nan 0.000 0.495 570 K N 0.717 121.254 120.400 0.228 0.000 2.288 570 K HA -0.029 4.293 4.320 0.003 0.000 0.201 570 K C 1.137 177.826 176.600 0.150 0.000 1.048 570 K CA 0.614 56.995 56.287 0.158 0.000 0.956 570 K CB -0.732 31.837 32.500 0.116 0.000 0.746 570 K HN 0.238 nan 8.250 nan 0.000 0.461 571 R N 0.864 121.467 120.500 0.171 0.000 2.490 571 R HA 0.362 4.704 4.340 0.003 0.000 0.280 571 R C 0.071 176.491 176.300 0.201 0.000 1.077 571 R CA 0.318 56.534 56.100 0.194 0.000 1.065 571 R CB 0.533 30.981 30.300 0.247 0.000 1.003 571 R HN 0.343 nan 8.270 nan 0.000 0.470 572 K N 4.116 124.626 120.400 0.183 0.000 2.412 572 K HA 0.050 4.371 4.320 0.003 0.000 0.284 572 K C -0.461 176.245 176.600 0.176 0.000 1.046 572 K CA -0.097 56.282 56.287 0.153 0.000 0.999 572 K CB 0.243 32.821 32.500 0.129 0.000 0.941 572 K HN 0.432 nan 8.250 nan 0.000 0.474 573 L N 5.180 126.456 121.223 0.090 0.000 2.260 573 L HA 0.392 4.734 4.340 0.003 0.000 0.289 573 L C -2.156 174.676 176.870 -0.062 0.000 1.057 573 L CA -2.013 52.798 54.840 -0.049 0.000 0.811 573 L CB 1.132 43.136 42.059 -0.092 0.000 1.184 573 L HN 0.581 nan 8.230 nan 0.000 0.429 574 P HA 0.105 nan 4.420 nan 0.000 0.268 574 P C 0.336 177.601 177.300 -0.058 0.000 1.208 574 P CA -0.179 62.907 63.100 -0.022 0.000 0.777 574 P CB 0.464 32.172 31.700 0.012 0.000 0.875 575 K N -0.118 120.285 120.400 0.006 0.000 2.296 575 K HA -0.000 4.322 4.320 0.003 0.000 0.200 575 K C 0.187 176.674 176.600 -0.187 0.000 1.048 575 K CA 1.019 57.282 56.287 -0.038 0.000 0.966 575 K CB -0.632 31.905 32.500 0.060 0.000 0.754 575 K HN 0.495 nan 8.250 nan 0.000 0.466 576 Y N 0.149 120.363 120.300 -0.145 0.000 2.345 576 Y HA 0.450 5.002 4.550 0.003 0.000 0.331 576 Y C -0.276 175.473 175.900 -0.252 0.000 0.959 576 Y CA -1.200 56.761 58.100 -0.231 0.000 1.204 576 Y CB 0.965 39.231 38.460 -0.323 0.000 1.135 576 Y HN -0.081 nan 8.280 nan 0.000 0.477 577 L N 6.095 127.230 121.223 -0.148 0.000 2.295 577 L HA 0.520 4.862 4.340 0.003 0.000 0.281 577 L C -0.911 175.901 176.870 -0.096 0.000 1.018 577 L CA -0.354 54.413 54.840 -0.121 0.000 0.841 577 L CB 0.699 42.781 42.059 0.038 0.000 1.218 577 L HN 0.455 nan 8.230 nan 0.000 0.424 578 L N 3.248 124.254 121.223 -0.362 0.000 2.322 578 L HA 0.543 4.885 4.340 0.003 0.000 0.281 578 L C -0.888 175.784 176.870 -0.330 0.000 1.014 578 L CA -0.443 54.273 54.840 -0.207 0.000 0.815 578 L CB 1.758 43.698 42.059 -0.199 0.000 1.247 578 L HN 0.333 nan 8.230 nan 0.000 0.421 579 F N 0.978 121.033 119.950 0.175 0.000 2.388 579 F HA 0.422 4.951 4.527 0.003 0.000 0.358 579 F C 0.722 176.635 175.800 0.189 0.000 1.122 579 F CA -0.634 57.494 58.000 0.214 0.000 1.056 579 F CB 1.874 40.996 39.000 0.203 0.000 1.155 579 F HN 0.362 nan 8.300 nan 0.000 0.461 580 T N -0.567 114.133 114.554 0.243 0.000 2.888 580 T HA 0.610 4.962 4.350 0.003 0.000 0.284 580 T C -0.248 174.557 174.700 0.174 0.000 1.017 580 T CA -0.831 61.387 62.100 0.197 0.000 1.022 580 T CB 1.815 70.754 68.868 0.119 0.000 1.013 580 T HN 0.465 nan 8.240 nan 0.000 0.465 581 S N 1.736 117.528 115.700 0.154 0.000 2.617 581 S HA 0.525 4.997 4.470 0.003 0.000 0.283 581 S C -1.718 172.913 174.600 0.050 0.000 1.189 581 S CA -1.926 56.330 58.200 0.094 0.000 1.036 581 S CB 0.848 64.091 63.200 0.072 0.000 1.014 581 S HN 0.627 nan 8.310 nan 0.000 0.522 582 P HA 0.011 nan 4.420 nan 0.000 0.226 582 P C -0.275 177.015 177.300 -0.017 0.000 1.153 582 P CA 0.642 63.746 63.100 0.007 0.000 0.777 582 P CB -0.017 31.684 31.700 0.002 0.000 0.794 583 Q N 0.641 120.420 119.800 -0.034 0.000 2.337 583 Q HA 0.101 4.443 4.340 0.003 0.000 0.270 583 Q C 0.056 176.008 176.000 -0.080 0.000 1.002 583 Q CA 0.502 56.261 55.803 -0.073 0.000 0.888 583 Q CB 0.473 29.144 28.738 -0.112 0.000 1.222 583 Q HN 0.300 nan 8.270 nan 0.000 0.400 584 E N 1.788 121.933 120.200 -0.091 0.000 2.214 584 E HA 0.106 4.458 4.350 0.003 0.000 0.274 584 E C -0.338 176.177 176.600 -0.141 0.000 0.977 584 E CA -0.805 55.541 56.400 -0.089 0.000 0.827 584 E CB 0.949 30.600 29.700 -0.082 0.000 1.130 584 E HN 0.532 nan 8.360 nan 0.000 0.394 585 N N 1.788 120.410 118.700 -0.129 0.000 2.327 585 N HA 0.091 4.833 4.740 0.003 0.000 0.257 585 N C -2.136 173.177 175.510 -0.330 0.000 1.281 585 N CA -1.405 51.520 53.050 -0.208 0.000 0.942 585 N CB -0.271 38.144 38.487 -0.119 0.000 1.199 585 N HN 0.061 nan 8.380 nan 0.000 0.532 586 P HA 0.037 nan 4.420 nan 0.000 0.230 586 P C 0.010 176.806 177.300 -0.841 0.000 1.158 586 P CA 1.120 63.697 63.100 -0.871 0.000 0.769 586 P CB -0.130 30.796 31.700 -1.290 0.000 0.807 587 W N -1.585 119.717 121.300 0.003 0.000 3.239 587 W HA 0.453 5.116 4.660 0.004 0.000 0.348 587 W C 1.134 177.640 176.519 -0.022 0.000 1.183 587 W CA 0.007 57.367 57.345 0.026 0.000 1.819 587 W CB -0.200 29.311 29.460 0.086 0.000 1.091 587 W HN -0.052 nan 8.180 nan 0.000 0.629 588 G N 0.373 109.181 108.800 0.014 0.000 2.141 588 G HA2 -0.242 3.720 3.960 0.003 0.000 0.242 588 G HA3 -0.242 3.720 3.960 0.003 0.000 0.242 588 G C -0.070 174.690 174.900 -0.234 0.000 0.982 588 G CA -0.396 44.634 45.100 -0.117 0.000 0.662 588 G HN 0.409 nan 8.290 nan 0.000 0.527 589 H N 0.582 119.670 119.070 0.031 0.000 2.463 589 H HA 0.420 4.978 4.556 0.003 0.000 0.332 589 H C 0.147 175.478 175.328 0.004 0.000 1.127 589 H CA -0.256 55.808 56.048 0.025 0.000 1.238 589 H CB 1.446 31.224 29.762 0.027 0.000 1.478 589 H HN 0.108 nan 8.280 nan 0.000 0.499 590 K N 2.403 122.886 120.400 0.137 0.000 2.448 590 K HA 0.106 4.428 4.320 0.003 0.000 0.278 590 K C 0.547 177.211 176.600 0.108 0.000 1.009 590 K CA -0.360 55.980 56.287 0.088 0.000 0.995 590 K CB 0.099 32.654 32.500 0.092 0.000 0.917 590 K HN 0.551 nan 8.250 nan 0.000 0.481 591 R N 1.516 122.040 120.500 0.041 0.000 2.370 591 R HA 0.196 4.538 4.340 0.003 0.000 0.309 591 R C 0.426 176.873 176.300 0.246 0.000 1.059 591 R CA -0.004 56.119 56.100 0.039 0.000 0.981 591 R CB 0.378 30.533 30.300 -0.242 0.000 0.972 591 R HN 0.834 nan 8.270 nan 0.000 0.437 592 S N 2.158 118.082 115.700 0.374 0.000 2.651 592 S HA 0.492 4.963 4.470 0.003 0.000 0.279 592 S C -1.452 173.394 174.600 0.409 0.000 1.148 592 S CA -0.922 57.527 58.200 0.415 0.000 0.837 592 S CB 1.332 64.739 63.200 0.344 0.000 1.138 592 S HN 0.470 nan 8.310 nan 0.000 0.478 593 Y N 0.438 120.884 120.300 0.243 0.000 2.446 593 Y HA 0.632 5.184 4.550 0.003 0.000 0.345 593 Y C 0.279 176.314 175.900 0.225 0.000 0.984 593 Y CA -0.661 57.538 58.100 0.164 0.000 1.058 593 Y CB 1.982 40.465 38.460 0.038 0.000 1.220 593 Y HN 0.858 nan 8.280 nan 0.000 0.455 594 R N 3.950 124.571 120.500 0.201 0.000 2.460 594 R HA 0.584 4.926 4.340 0.003 0.000 0.303 594 R C -1.819 174.579 176.300 0.164 0.000 0.968 594 R CA -0.900 55.275 56.100 0.126 0.000 0.889 594 R CB 0.973 31.254 30.300 -0.033 0.000 1.123 594 R HN 0.680 nan 8.270 nan 0.000 0.455 595 L N 3.601 124.934 121.223 0.183 0.000 2.282 595 L HA 0.369 4.711 4.340 0.003 0.000 0.288 595 L C -1.063 175.834 176.870 0.045 0.000 1.033 595 L CA 0.127 55.052 54.840 0.141 0.000 0.807 595 L CB 1.554 43.715 42.059 0.170 0.000 1.209 595 L HN 0.708 nan 8.230 nan 0.000 0.423 596 Q N 5.193 125.026 119.800 0.056 0.000 2.310 596 Q HA 0.542 4.884 4.340 0.003 0.000 0.270 596 Q C -1.606 174.449 176.000 0.091 0.000 1.025 596 Q CA -0.513 55.297 55.803 0.010 0.000 0.772 596 Q CB 1.484 30.201 28.738 -0.035 0.000 1.253 596 Q HN 0.788 nan 8.270 nan 0.000 0.450 597 I N 3.248 123.862 120.570 0.074 0.000 2.359 597 I HA 0.238 4.410 4.170 0.003 0.000 0.294 597 I C -0.290 175.913 176.117 0.143 0.000 0.987 597 I CA -0.715 60.665 61.300 0.134 0.000 1.225 597 I CB 1.259 39.310 38.000 0.085 0.000 1.366 597 I HN 0.583 nan 8.210 nan 0.000 0.466 598 H N 6.032 125.146 119.070 0.073 0.000 2.673 598 H HA 0.512 5.070 4.556 0.003 0.000 0.293 598 H C -1.323 174.046 175.328 0.068 0.000 1.065 598 H CA 0.015 56.085 56.048 0.037 0.000 1.236 598 H CB 1.363 31.117 29.762 -0.014 0.000 1.389 598 H HN 0.619 nan 8.280 nan 0.000 0.481 599 S N 4.057 119.656 115.700 -0.169 0.000 2.547 599 S HA 0.339 4.811 4.470 0.003 0.000 0.270 599 S C -0.575 173.990 174.600 -0.059 0.000 1.150 599 S CA -0.674 57.510 58.200 -0.027 0.000 0.850 599 S CB 1.167 64.460 63.200 0.154 0.000 1.118 599 S HN 0.641 nan 8.310 nan 0.000 0.461 600 M N 2.647 122.257 119.600 0.017 0.000 2.692 600 M HA 0.477 4.959 4.480 0.003 0.000 0.372 600 M C 0.269 176.587 176.300 0.030 0.000 1.192 600 M CA -0.077 55.234 55.300 0.018 0.000 0.928 600 M CB 0.687 33.291 32.600 0.007 0.000 1.366 600 M HN 0.600 nan 8.290 nan 0.000 0.517 601 A N 0.376 123.231 122.820 0.058 0.000 2.346 601 A HA 0.566 4.888 4.320 0.003 0.000 0.252 601 A C -0.109 177.166 177.584 -0.515 0.000 1.089 601 A CA 0.116 52.091 52.037 -0.103 0.000 0.797 601 A CB 0.408 19.469 19.000 0.101 0.000 1.047 601 A HN 0.381 nan 8.150 nan 0.000 0.494 602 D N -1.599 118.256 120.400 -0.908 0.000 2.692 602 D HA 0.345 4.987 4.640 0.003 0.000 0.303 602 D C -1.003 174.660 176.300 -1.061 0.000 1.278 602 D CA -0.428 52.840 54.000 -1.220 0.000 0.852 602 D CB 1.173 41.696 40.800 -0.462 0.000 1.375 602 D HN 0.424 nan 8.370 nan 0.000 0.453 603 Q N 0.451 119.883 119.800 -0.614 0.000 2.289 603 Q HA 0.292 4.634 4.340 0.003 0.000 0.273 603 Q C -0.122 175.757 176.000 -0.203 0.000 1.029 603 Q CA 0.437 56.097 55.803 -0.238 0.000 0.896 603 Q CB 1.080 29.789 28.738 -0.048 0.000 1.182 603 Q HN 0.279 nan 8.270 nan 0.000 0.385 604 V N 4.068 123.879 119.914 -0.171 0.000 2.635 604 V HA 0.153 4.275 4.120 0.003 0.000 0.233 604 V C 0.667 176.709 176.094 -0.087 0.000 1.097 604 V CA 0.348 62.567 62.300 -0.135 0.000 1.134 604 V CB -0.256 31.481 31.823 -0.143 0.000 0.841 604 V HN 0.647 nan 8.190 nan 0.000 0.496 605 L N 1.370 122.547 121.223 -0.076 0.000 2.421 605 L HA 0.390 4.732 4.340 0.003 0.000 0.263 605 L C -2.448 174.416 176.870 -0.009 0.000 1.122 605 L CA -1.745 53.082 54.840 -0.022 0.000 0.804 605 L CB 0.292 42.354 42.059 0.006 0.000 1.150 605 L HN 0.133 nan 8.230 nan 0.000 0.457 606 P HA 0.165 nan 4.420 nan 0.000 0.271 606 P C -2.499 174.846 177.300 0.076 0.000 1.226 606 P CA -1.258 61.863 63.100 0.034 0.000 0.765 606 P CB -0.067 31.641 31.700 0.014 0.000 0.835 607 P HA 0.038 nan 4.420 nan 0.000 0.261 607 P C 1.108 178.460 177.300 0.086 0.000 1.183 607 P CA 1.359 64.478 63.100 0.032 0.000 0.761 607 P CB 0.031 31.735 31.700 0.007 0.000 0.785 608 G N 2.043 110.894 108.800 0.085 0.000 2.175 608 G HA2 -0.208 3.754 3.960 0.003 0.000 0.244 608 G HA3 -0.208 3.754 3.960 0.003 0.000 0.244 608 G C -0.323 174.675 174.900 0.164 0.000 0.982 608 G CA -0.505 44.658 45.100 0.105 0.000 0.641 608 G HN 0.597 nan 8.290 nan 0.000 0.527 609 W N 2.665 123.968 121.300 0.004 0.000 2.357 609 W HA 0.477 5.139 4.660 0.003 0.000 0.317 609 W C 0.883 177.426 176.519 0.040 0.000 1.101 609 W CA 0.151 57.510 57.345 0.024 0.000 1.380 609 W CB 0.263 29.732 29.460 0.014 0.000 1.266 609 W HN 0.430 nan 8.180 nan 0.000 0.419 610 Q N 2.574 121.990 119.800 -0.641 0.000 2.224 610 Q HA -0.380 3.962 4.340 0.003 0.000 0.415 610 Q C 1.273 177.147 176.000 -0.210 0.000 0.619 610 Q CA 2.767 58.279 55.803 -0.485 0.000 0.957 610 Q CB -1.119 27.118 28.738 -0.834 0.000 2.552 610 Q HN 0.655 nan 8.270 nan 0.000 0.903 611 E N 1.210 121.262 120.200 -0.246 0.000 2.338 611 E HA -0.090 4.262 4.350 0.003 0.000 0.197 611 E C 1.653 178.130 176.600 -0.206 0.000 1.007 611 E CA 0.881 57.063 56.400 -0.362 0.000 0.849 611 E CB -0.102 29.383 29.700 -0.359 0.000 0.774 611 E HN 0.349 nan 8.360 nan 0.000 0.506 612 E N 0.767 120.904 120.200 -0.106 0.000 2.267 612 E HA -0.272 4.080 4.350 0.003 0.000 0.197 612 E C 1.709 178.238 176.600 -0.119 0.000 0.998 612 E CA 0.855 57.199 56.400 -0.093 0.000 0.830 612 E CB 0.112 29.806 29.700 -0.010 0.000 0.751 612 E HN 0.226 nan 8.360 nan 0.000 0.491 613 Q N 0.102 119.841 119.800 -0.102 0.000 2.297 613 Q HA -0.086 4.256 4.340 0.003 0.000 0.208 613 Q C 1.699 177.652 176.000 -0.078 0.000 0.981 613 Q CA 1.589 57.345 55.803 -0.079 0.000 0.876 613 Q CB -0.304 28.398 28.738 -0.060 0.000 0.921 613 Q HN 0.302 nan 8.270 nan 0.000 0.446 614 A N 0.029 122.792 122.820 -0.096 0.000 2.119 614 A HA 0.107 4.429 4.320 0.003 0.000 0.216 614 A C 1.266 178.873 177.584 0.039 0.000 1.152 614 A CA 0.894 52.949 52.037 0.029 0.000 0.708 614 A CB -0.277 18.718 19.000 -0.007 0.000 0.805 614 A HN 0.531 nan 8.150 nan 0.000 0.460 615 I N -3.594 116.832 120.570 -0.240 0.000 3.007 615 I HA 0.228 4.400 4.170 0.003 0.000 0.333 615 I C 0.965 176.592 176.117 -0.816 0.000 1.489 615 I CA 0.327 61.183 61.300 -0.740 0.000 0.906 615 I CB -0.012 37.535 38.000 -0.755 0.000 1.702 615 I HN 0.030 nan 8.210 nan 0.000 0.548 616 T N -1.982 112.321 114.554 -0.419 0.000 3.007 616 T HA -0.136 4.216 4.350 0.003 0.000 0.270 616 T C 1.536 176.138 174.700 -0.163 0.000 1.107 616 T CA 1.056 63.024 62.100 -0.219 0.000 1.118 616 T CB -0.459 68.393 68.868 -0.027 0.000 0.889 616 T HN 0.777 nan 8.240 nan 0.000 0.506 617 W N 1.830 122.986 121.300 -0.240 0.000 2.392 617 W HA 0.186 4.848 4.660 0.003 0.000 0.279 617 W C 1.902 178.209 176.519 -0.354 0.000 1.225 617 W CA 0.370 57.306 57.345 -0.681 0.000 1.233 617 W CB -1.023 27.471 29.460 -1.609 0.000 1.122 617 W HN 0.374 nan 8.180 nan 0.000 0.561 618 A N 1.526 123.990 122.820 -0.594 0.000 2.239 618 A HA -0.004 4.318 4.320 0.003 0.000 0.209 618 A C 2.055 179.618 177.584 -0.035 0.000 1.171 618 A CA 0.433 52.288 52.037 -0.304 0.000 0.768 618 A CB -0.716 17.844 19.000 -0.734 0.000 0.790 618 A HN 0.356 nan 8.150 nan 0.000 0.478 619 R N -1.607 118.748 120.500 -0.241 0.000 2.235 619 R HA -0.006 4.335 4.340 0.003 0.000 0.213 619 R C -0.705 175.255 176.300 -0.566 0.000 1.059 619 R CA 0.668 56.518 56.100 -0.417 0.000 0.997 619 R CB -0.053 29.724 30.300 -0.873 0.000 0.884 619 R HN 0.576 nan 8.270 nan 0.000 0.462 620 Y N 0.008 120.293 120.300 -0.024 0.000 2.332 620 Y HA 0.258 4.810 4.550 0.003 0.000 0.326 620 Y C -1.734 174.038 175.900 -0.213 0.000 0.978 620 Y CA -3.191 54.831 58.100 -0.131 0.000 1.205 620 Y CB 1.563 40.064 38.460 0.069 0.000 1.131 620 Y HN -0.154 nan 8.280 nan 0.000 0.462 621 P HA -0.141 nan 4.420 nan 0.000 0.216 621 P C -0.120 177.213 177.300 0.055 0.000 1.150 621 P CA 1.170 64.156 63.100 -0.190 0.000 0.837 621 P CB 0.939 32.448 31.700 -0.318 0.000 0.786 622 L N -1.417 119.881 121.223 0.125 0.000 2.436 622 L HA 0.748 5.090 4.340 0.003 0.000 0.268 622 L C -1.580 175.460 176.870 0.284 0.000 0.974 622 L CA -1.141 53.807 54.840 0.181 0.000 0.826 622 L CB 1.962 44.077 42.059 0.094 0.000 1.291 622 L HN -0.078 nan 8.230 nan 0.000 0.406 623 A N 4.013 126.992 122.820 0.266 0.000 2.498 623 A HA 0.884 5.206 4.320 0.003 0.000 0.298 623 A C -1.730 176.033 177.584 0.297 0.000 1.075 623 A CA -0.589 51.564 52.037 0.194 0.000 0.714 623 A CB 2.065 21.136 19.000 0.118 0.000 1.299 623 A HN 0.537 nan 8.150 nan 0.000 0.407 624 V N 1.902 121.910 119.914 0.157 0.000 2.444 624 V HA 0.690 4.812 4.120 0.003 0.000 0.294 624 V C 0.263 176.490 176.094 0.222 0.000 1.022 624 V CA -0.029 62.376 62.300 0.173 0.000 0.850 624 V CB 1.541 33.325 31.823 -0.065 0.000 0.992 624 V HN 1.176 nan 8.190 nan 0.000 0.426 625 T N 1.228 115.989 114.554 0.345 0.000 2.932 625 T HA 0.575 4.927 4.350 0.003 0.000 0.289 625 T C -0.471 174.350 174.700 0.200 0.000 1.039 625 T CA -0.925 61.339 62.100 0.273 0.000 1.024 625 T CB 1.856 70.950 68.868 0.377 0.000 1.090 625 T HN 0.575 nan 8.240 nan 0.000 0.496 626 K N 1.547 122.030 120.400 0.138 0.000 2.379 626 K HA 0.142 4.464 4.320 0.003 0.000 0.284 626 K C -0.590 176.074 176.600 0.108 0.000 1.044 626 K CA -0.661 55.698 56.287 0.120 0.000 0.974 626 K CB 0.130 32.684 32.500 0.090 0.000 0.962 626 K HN 0.686 nan 8.250 nan 0.000 0.474 627 Y N 4.319 124.634 120.300 0.026 0.000 2.712 627 Y HA -0.040 4.512 4.550 0.003 0.000 0.333 627 Y C -0.177 175.713 175.900 -0.017 0.000 1.225 627 Y CA 0.758 58.859 58.100 0.001 0.000 1.499 627 Y CB 0.478 38.924 38.460 -0.024 0.000 1.288 627 Y HN 0.678 nan 8.280 nan 0.000 0.575 628 R N 4.562 124.676 120.500 -0.642 0.000 2.566 628 R HA 0.184 4.526 4.340 0.003 0.000 0.271 628 R C 0.170 176.147 176.300 -0.539 0.000 1.071 628 R CA -0.620 55.247 56.100 -0.388 0.000 0.915 628 R CB 1.205 31.362 30.300 -0.237 0.000 1.228 628 R HN 0.706 nan 8.270 nan 0.000 0.449 629 E N 0.995 121.066 120.200 -0.216 0.000 2.265 629 E HA -0.103 4.249 4.350 0.003 0.000 0.196 629 E C 0.921 177.474 176.600 -0.079 0.000 0.996 629 E CA 1.703 58.050 56.400 -0.089 0.000 0.832 629 E CB 0.230 29.967 29.700 0.063 0.000 0.756 629 E HN 0.650 nan 8.360 nan 0.000 0.491 630 S N -0.225 115.408 115.700 -0.112 0.000 2.593 630 S HA 0.083 4.555 4.470 0.003 0.000 0.217 630 S C 0.815 175.327 174.600 -0.147 0.000 0.966 630 S CA -0.091 58.063 58.200 -0.078 0.000 0.914 630 S CB 0.056 63.223 63.200 -0.055 0.000 0.776 630 S HN 0.125 nan 8.310 nan 0.000 0.523 631 E N 0.686 120.714 120.200 -0.286 0.000 3.575 631 E HA 0.334 4.685 4.350 0.003 0.000 0.201 631 E C 0.242 176.783 176.600 -0.099 0.000 0.999 631 E CA -0.068 56.029 56.400 -0.507 0.000 1.315 631 E CB 0.414 29.428 29.700 -1.143 0.000 1.146 631 E HN 0.385 nan 8.360 nan 0.000 0.453 632 L N -0.291 120.958 121.223 0.042 0.000 2.313 632 L HA 0.104 4.446 4.340 0.003 0.000 0.214 632 L C 0.679 177.752 176.870 0.340 0.000 1.119 632 L CA 0.571 55.489 54.840 0.132 0.000 0.809 632 L CB 0.194 42.318 42.059 0.108 0.000 0.933 632 L HN 0.247 nan 8.230 nan 0.000 0.449 633 C N -1.311 118.239 119.300 0.417 0.000 2.634 633 C HA 0.302 4.764 4.460 0.003 0.000 0.313 633 C C 1.539 176.832 174.990 0.504 0.000 1.198 633 C CA -0.691 58.590 59.018 0.438 0.000 1.605 633 C CB 1.855 29.753 27.740 0.263 0.000 2.196 633 C HN 0.384 nan 8.230 nan 0.000 0.486 634 S N 0.076 116.014 115.700 0.397 0.000 2.517 634 S HA 0.139 4.611 4.470 0.003 0.000 0.214 634 S C 0.555 175.163 174.600 0.013 0.000 0.991 634 S CA 0.222 58.522 58.200 0.166 0.000 0.906 634 S CB 0.107 63.318 63.200 0.018 0.000 0.789 634 S HN 0.723 nan 8.310 nan 0.000 0.513 635 S N 0.345 116.001 115.700 -0.073 0.000 2.911 635 S HA 0.845 5.317 4.470 0.003 0.000 0.319 635 S C -1.128 173.331 174.600 -0.235 0.000 1.154 635 S CA 0.090 58.033 58.200 -0.428 0.000 0.857 635 S CB 1.554 64.577 63.200 -0.294 0.000 1.279 635 S HN 0.869 nan 8.310 nan 0.000 0.593 636 S N -0.429 115.133 115.700 -0.230 0.000 2.615 636 S HA 0.318 4.790 4.470 0.003 0.000 0.268 636 S C 0.696 175.354 174.600 0.097 0.000 1.146 636 S CA -0.261 58.011 58.200 0.119 0.000 0.818 636 S CB -0.114 63.342 63.200 0.427 0.000 1.111 636 S HN 1.073 nan 8.310 nan 0.000 0.465 637 I N -1.275 119.254 120.570 -0.068 0.000 2.916 637 I HA 0.051 4.223 4.170 0.003 0.000 0.267 637 I C 1.271 177.248 176.117 -0.232 0.000 1.263 637 I CA 0.930 62.124 61.300 -0.176 0.000 1.471 637 I CB -0.631 37.216 38.000 -0.254 0.000 1.089 637 I HN 0.669 nan 8.210 nan 0.000 0.468 638 Y N -0.102 120.324 120.300 0.209 0.000 2.500 638 Y HA 0.090 4.642 4.550 0.003 0.000 0.270 638 Y C 2.259 178.237 175.900 0.129 0.000 1.134 638 Y CA 0.234 58.414 58.100 0.133 0.000 1.293 638 Y CB -0.459 38.060 38.460 0.099 0.000 1.063 638 Y HN 0.130 nan 8.280 nan 0.000 0.534 639 H N -0.074 119.091 119.070 0.159 0.000 2.353 639 H HA -0.183 4.375 4.556 0.003 0.000 0.300 639 H C 2.171 177.533 175.328 0.056 0.000 1.090 639 H CA 1.830 57.942 56.048 0.107 0.000 1.327 639 H CB -0.121 29.716 29.762 0.125 0.000 1.383 639 H HN 0.243 nan 8.280 nan 0.000 0.508 640 Q N 0.627 120.549 119.800 0.203 0.000 2.077 640 Q HA -0.139 4.203 4.340 0.003 0.000 0.206 640 Q C 1.128 177.157 176.000 0.048 0.000 0.989 640 Q CA 1.895 57.788 55.803 0.150 0.000 0.853 640 Q CB -0.047 28.805 28.738 0.189 0.000 0.907 640 Q HN 0.322 nan 8.270 nan 0.000 0.418 641 N N -0.143 118.578 118.700 0.035 0.000 2.280 641 N HA 0.043 4.785 4.740 0.003 0.000 0.192 641 N C -0.807 174.755 175.510 0.087 0.000 1.109 641 N CA 0.422 53.487 53.050 0.025 0.000 0.855 641 N CB 0.663 39.132 38.487 -0.030 0.000 0.974 641 N HN 0.184 nan 8.380 nan 0.000 0.482 642 D N 0.060 120.504 120.400 0.074 0.000 2.552 642 D HA 0.195 4.837 4.640 0.003 0.000 0.285 642 D C -2.045 174.215 176.300 -0.066 0.000 1.206 642 D CA -1.672 52.413 54.000 0.142 0.000 0.826 642 D CB 1.322 42.275 40.800 0.255 0.000 1.179 642 D HN -0.021 nan 8.370 nan 0.000 0.508 643 P HA -0.009 nan 4.420 nan 0.000 0.229 643 P C 1.405 178.470 177.300 -0.391 0.000 1.160 643 P CA 0.372 63.210 63.100 -0.437 0.000 0.777 643 P CB 0.144 31.456 31.700 -0.647 0.000 0.814 644 W N 0.412 121.679 121.300 -0.056 0.000 2.476 644 W HA 0.044 4.706 4.660 0.003 0.000 0.281 644 W C 0.423 176.899 176.519 -0.072 0.000 1.230 644 W CA 0.711 58.008 57.345 -0.080 0.000 1.287 644 W CB -0.541 28.872 29.460 -0.080 0.000 1.108 644 W HN 0.080 nan 8.180 nan 0.000 0.567 645 D N -0.576 119.920 120.400 0.161 0.000 2.849 645 D HA 0.190 4.832 4.640 0.003 0.000 0.314 645 D C -2.572 173.668 176.300 -0.101 0.000 1.210 645 D CA -1.794 52.246 54.000 0.068 0.000 0.756 645 D CB 0.763 41.676 40.800 0.189 0.000 1.222 645 D HN -0.176 nan 8.370 nan 0.000 0.521 646 P HA 0.314 nan 4.420 nan 0.000 0.278 646 P C -1.999 175.081 177.300 -0.367 0.000 1.258 646 P CA -1.114 61.722 63.100 -0.440 0.000 0.811 646 P CB 1.118 32.302 31.700 -0.859 0.000 1.063 647 P HA 0.018 nan 4.420 nan 0.000 0.233 647 P C -0.027 177.300 177.300 0.045 0.000 1.167 647 P CA 0.774 63.790 63.100 -0.139 0.000 0.770 647 P CB 0.409 32.080 31.700 -0.049 0.000 0.837 648 V N 0.562 120.572 119.914 0.160 0.000 2.525 648 V HA 0.256 4.378 4.120 0.003 0.000 0.299 648 V C -0.307 175.892 176.094 0.176 0.000 1.034 648 V CA -0.777 61.666 62.300 0.238 0.000 0.863 648 V CB 2.829 34.867 31.823 0.358 0.000 0.999 648 V HN -0.330 nan 8.190 nan 0.000 0.423 649 V N 5.058 124.965 119.914 -0.011 0.000 2.349 649 V HA 0.270 4.392 4.120 0.003 0.000 0.284 649 V C 0.651 176.526 176.094 -0.364 0.000 1.014 649 V CA -0.264 61.981 62.300 -0.092 0.000 0.826 649 V CB 1.163 32.937 31.823 -0.081 0.000 1.009 649 V HN 0.868 nan 8.190 nan 0.000 0.431 650 F N 3.550 123.194 119.950 -0.510 0.000 2.161 650 F HA -0.185 4.344 4.527 0.003 0.000 0.300 650 F C 2.123 177.492 175.800 -0.718 0.000 1.089 650 F CA 2.373 59.809 58.000 -0.940 0.000 1.282 650 F CB 0.208 38.902 39.000 -0.511 0.000 1.010 650 F HN 0.668 nan 8.300 nan 0.000 0.485 651 E N 0.484 120.496 120.200 -0.313 0.000 2.171 651 E HA -0.282 4.070 4.350 0.003 0.000 0.197 651 E C 2.051 178.273 176.600 -0.631 0.000 0.997 651 E CA 1.850 58.084 56.400 -0.277 0.000 0.810 651 E CB -0.400 29.268 29.700 -0.052 0.000 0.738 651 E HN 0.632 nan 8.360 nan 0.000 0.467 652 Q N -1.071 118.298 119.800 -0.718 0.000 2.234 652 Q HA -0.148 4.194 4.340 0.003 0.000 0.206 652 Q C 1.562 177.380 176.000 -0.303 0.000 0.980 652 Q CA 1.115 56.464 55.803 -0.757 0.000 0.869 652 Q CB -0.183 28.379 28.738 -0.293 0.000 0.912 652 Q HN 0.369 nan 8.270 nan 0.000 0.436 653 F N 0.030 119.671 119.950 -0.515 0.000 2.365 653 F HA -0.074 4.455 4.527 0.003 0.000 0.300 653 F C 1.724 177.323 175.800 -0.335 0.000 1.090 653 F CA 0.675 58.415 58.000 -0.432 0.000 1.408 653 F CB -0.435 38.172 39.000 -0.655 0.000 1.060 653 F HN 0.068 nan 8.300 nan 0.000 0.534 654 L N -1.843 119.259 121.223 -0.202 0.000 2.477 654 L HA 0.015 4.357 4.340 0.003 0.000 0.220 654 L C 2.143 179.046 176.870 0.056 0.000 1.106 654 L CA 0.252 55.035 54.840 -0.094 0.000 0.851 654 L CB -0.772 41.197 42.059 -0.149 0.000 0.994 654 L HN 0.161 nan 8.230 nan 0.000 0.462 655 H N 1.324 120.387 119.070 -0.011 0.000 2.353 655 H HA -0.166 4.392 4.556 0.003 0.000 0.298 655 H C 1.714 177.049 175.328 0.012 0.000 1.103 655 H CA 1.534 57.584 56.048 0.004 0.000 1.293 655 H CB 0.104 29.871 29.762 0.009 0.000 1.372 655 H HN 0.500 nan 8.280 nan 0.000 0.501 656 N N 0.664 119.457 118.700 0.155 0.000 2.461 656 N HA -0.127 4.615 4.740 0.003 0.000 0.188 656 N C -0.015 175.557 175.510 0.104 0.000 1.134 656 N CA 0.505 53.617 53.050 0.104 0.000 0.878 656 N CB -0.378 38.163 38.487 0.090 0.000 0.972 656 N HN 0.163 nan 8.380 nan 0.000 0.456 657 N N 1.004 119.771 118.700 0.112 0.000 2.686 657 N HA -0.216 4.526 4.740 0.003 0.000 0.261 657 N C -1.301 174.377 175.510 0.281 0.000 1.001 657 N CA 0.541 53.679 53.050 0.146 0.000 0.764 657 N CB -1.175 37.350 38.487 0.063 0.000 0.898 657 N HN 0.571 nan 8.380 nan 0.000 0.544 658 E N 0.288 120.642 120.200 0.256 0.000 2.373 658 E HA 0.074 4.426 4.350 0.003 0.000 0.263 658 E C 0.478 177.278 176.600 0.332 0.000 1.073 658 E CA -0.713 55.861 56.400 0.290 0.000 0.894 658 E CB 0.448 30.243 29.700 0.159 0.000 1.008 658 E HN 0.335 nan 8.360 nan 0.000 0.420 659 N N 2.489 121.311 118.700 0.204 0.000 2.454 659 N HA -0.021 4.720 4.740 0.003 0.000 0.260 659 N C 0.061 175.493 175.510 -0.130 0.000 1.218 659 N CA 0.313 53.194 53.050 -0.282 0.000 0.904 659 N CB 0.477 38.686 38.487 -0.463 0.000 1.065 659 N HN 0.482 nan 8.380 nan 0.000 0.462 660 I N -0.521 119.951 120.570 -0.163 0.000 3.833 660 I HA 0.345 4.517 4.170 0.003 0.000 0.328 660 I C -0.612 175.489 176.117 -0.026 0.000 1.554 660 I CA -0.576 60.710 61.300 -0.023 0.000 1.116 660 I CB 0.147 38.186 38.000 0.064 0.000 1.182 660 I HN 0.212 nan 8.210 nan 0.000 0.459 661 E N 2.687 122.818 120.200 -0.115 0.000 2.223 661 E HA 0.249 4.601 4.350 0.003 0.000 0.282 661 E C -0.385 176.195 176.600 -0.033 0.000 1.046 661 E CA -0.507 55.849 56.400 -0.073 0.000 0.857 661 E CB 0.261 29.881 29.700 -0.134 0.000 1.055 661 E HN 0.272 nan 8.360 nan 0.000 0.409 662 N N 2.565 121.270 118.700 0.008 0.000 2.708 662 N HA -0.191 4.551 4.740 0.003 0.000 0.255 662 N C -0.680 174.840 175.510 0.017 0.000 1.046 662 N CA 1.028 54.087 53.050 0.015 0.000 0.715 662 N CB -0.701 37.785 38.487 -0.001 0.000 0.895 662 N HN 0.544 nan 8.380 nan 0.000 0.545 663 E N 0.342 120.564 120.200 0.036 0.000 2.410 663 E HA 0.371 4.723 4.350 0.003 0.000 0.269 663 E C -1.291 175.343 176.600 0.057 0.000 0.937 663 E CA -0.744 55.681 56.400 0.041 0.000 0.793 663 E CB 1.014 30.742 29.700 0.045 0.000 1.314 663 E HN 0.085 nan 8.360 nan 0.000 0.447 664 D N 1.866 122.296 120.400 0.050 0.000 2.344 664 D HA 0.176 4.818 4.640 0.003 0.000 0.253 664 D C -0.651 175.715 176.300 0.110 0.000 1.255 664 D CA 0.112 54.138 54.000 0.042 0.000 0.894 664 D CB -0.144 40.641 40.800 -0.025 0.000 1.067 664 D HN 0.325 nan 8.370 nan 0.000 0.492 665 L N 2.834 124.124 121.223 0.111 0.000 2.360 665 L HA 0.523 4.865 4.340 0.003 0.000 0.271 665 L C -0.139 176.776 176.870 0.074 0.000 1.057 665 L CA -1.181 53.743 54.840 0.140 0.000 0.803 665 L CB 1.908 44.101 42.059 0.224 0.000 1.207 665 L HN 0.053 nan 8.230 nan 0.000 0.445 666 V N 1.513 121.460 119.914 0.054 0.000 2.483 666 V HA 0.574 4.696 4.120 0.003 0.000 0.297 666 V C 0.114 176.103 176.094 -0.174 0.000 1.027 666 V CA -0.628 61.586 62.300 -0.143 0.000 0.855 666 V CB 1.620 33.313 31.823 -0.217 0.000 0.995 666 V HN 0.869 nan 8.190 nan 0.000 0.424 667 A N 4.546 127.154 122.820 -0.353 0.000 2.310 667 A HA 0.812 5.134 4.320 0.003 0.000 0.299 667 A C -1.361 176.036 177.584 -0.312 0.000 1.147 667 A CA -0.319 51.571 52.037 -0.245 0.000 0.818 667 A CB 0.501 19.208 19.000 -0.488 0.000 1.096 667 A HN 0.817 nan 8.150 nan 0.000 0.495 668 W N 1.337 122.604 121.300 -0.054 0.000 2.739 668 W HA 0.553 5.215 4.660 0.003 0.000 0.331 668 W C -0.961 175.473 176.519 -0.141 0.000 1.049 668 W CA -0.539 56.725 57.345 -0.134 0.000 1.234 668 W CB 2.051 31.547 29.460 0.060 0.000 1.404 668 W HN 0.422 nan 8.180 nan 0.000 0.477 669 V N 2.824 122.699 119.914 -0.065 0.000 2.487 669 V HA 0.514 4.636 4.120 0.003 0.000 0.298 669 V C -0.216 176.010 176.094 0.220 0.000 1.028 669 V CA -0.787 61.511 62.300 -0.003 0.000 0.860 669 V CB 1.773 33.410 31.823 -0.309 0.000 0.991 669 V HN 0.501 nan 8.190 nan 0.000 0.427 670 T N 4.940 119.720 114.554 0.375 0.000 2.767 670 T HA 0.637 4.989 4.350 0.003 0.000 0.284 670 T C -0.219 174.747 174.700 0.444 0.000 0.973 670 T CA -0.327 62.093 62.100 0.534 0.000 0.996 670 T CB 1.363 70.605 68.868 0.623 0.000 0.927 670 T HN 0.751 nan 8.240 nan 0.000 0.456 671 V N 0.602 120.787 119.914 0.453 0.000 3.001 671 V HA 1.113 5.235 4.120 0.003 0.000 0.314 671 V C 0.033 176.332 176.094 0.342 0.000 1.099 671 V CA -0.476 62.053 62.300 0.381 0.000 0.989 671 V CB 1.625 33.673 31.823 0.375 0.000 1.040 671 V HN 1.118 nan 8.190 nan 0.000 0.434 672 G N 1.451 110.423 108.800 0.286 0.000 2.325 672 G HA2 0.681 4.643 3.960 0.003 0.000 0.295 672 G HA3 0.681 4.643 3.960 0.003 0.000 0.295 672 G C -1.547 173.531 174.900 0.297 0.000 1.274 672 G CA -0.036 45.206 45.100 0.238 0.000 0.857 672 G HN 2.234 nan 8.290 nan 0.000 0.499 673 F N -1.793 118.184 119.950 0.044 0.000 2.690 673 F HA 0.699 5.229 4.527 0.003 0.000 0.311 673 F C -1.174 174.634 175.800 0.013 0.000 1.111 673 F CA -1.375 56.624 58.000 -0.002 0.000 1.003 673 F CB 1.243 40.221 39.000 -0.037 0.000 1.283 673 F HN 0.641 nan 8.300 nan 0.000 0.442 674 L N 3.888 125.173 121.223 0.103 0.000 2.455 674 L HA 0.321 4.663 4.340 0.003 0.000 0.272 674 L C -0.624 176.343 176.870 0.163 0.000 1.174 674 L CA 0.486 55.334 54.840 0.014 0.000 0.869 674 L CB 0.159 42.215 42.059 -0.006 0.000 1.130 674 L HN 0.873 nan 8.230 nan 0.000 0.474 675 H N 5.870 124.832 119.070 -0.179 0.000 2.792 675 H HA 0.413 4.971 4.556 0.003 0.000 0.298 675 H C -0.915 174.301 175.328 -0.187 0.000 1.042 675 H CA -0.954 55.026 56.048 -0.113 0.000 1.300 675 H CB 0.760 30.415 29.762 -0.179 0.000 1.431 675 H HN 0.638 nan 8.280 nan 0.000 0.496 676 I N 8.005 128.693 120.570 0.196 0.000 2.297 676 I HA 0.201 4.373 4.170 0.003 0.000 0.291 676 I C -2.157 174.120 176.117 0.267 0.000 1.033 676 I CA -1.985 59.392 61.300 0.128 0.000 1.253 676 I CB 1.171 39.235 38.000 0.106 0.000 1.396 676 I HN 0.467 nan 8.210 nan 0.000 0.476 677 P HA 0.149 nan 4.420 nan 0.000 0.270 677 P C -1.261 176.187 177.300 0.247 0.000 1.223 677 P CA 0.104 63.287 63.100 0.138 0.000 0.785 677 P CB 0.426 32.133 31.700 0.012 0.000 0.923 678 H N -3.287 115.868 119.070 0.143 0.000 2.985 678 H HA 0.460 5.018 4.556 0.003 0.000 0.360 678 H C 0.840 176.214 175.328 0.076 0.000 1.221 678 H CA -0.872 55.229 56.048 0.088 0.000 1.121 678 H CB 0.524 30.332 29.762 0.077 0.000 1.854 678 H HN 0.187 nan 8.280 nan 0.000 0.551 679 S N -0.041 115.724 115.700 0.109 0.000 2.419 679 S HA -0.202 4.270 4.470 0.003 0.000 0.233 679 S C 1.099 175.710 174.600 0.018 0.000 1.016 679 S CA 1.413 59.636 58.200 0.038 0.000 0.974 679 S CB -0.476 62.740 63.200 0.026 0.000 0.786 679 S HN 0.706 nan 8.310 nan 0.000 0.492 680 E N 1.606 121.836 120.200 0.050 0.000 2.333 680 E HA -0.034 4.318 4.350 0.003 0.000 0.198 680 E C 1.044 177.591 176.600 -0.089 0.000 1.007 680 E CA 0.852 57.266 56.400 0.024 0.000 0.845 680 E CB -0.281 29.512 29.700 0.156 0.000 0.766 680 E HN 0.517 nan 8.360 nan 0.000 0.507 681 D N -0.097 120.181 120.400 -0.203 0.000 2.363 681 D HA -0.037 4.605 4.640 0.003 0.000 0.226 681 D C -0.056 176.212 176.300 -0.055 0.000 1.020 681 D CA 0.451 54.368 54.000 -0.139 0.000 0.892 681 D CB 0.237 40.974 40.800 -0.104 0.000 0.900 681 D HN 0.124 nan 8.370 nan 0.000 0.531 682 I N 2.153 122.708 120.570 -0.025 0.000 2.336 682 I HA 0.113 4.285 4.170 0.003 0.000 0.292 682 I C -1.218 174.877 176.117 -0.035 0.000 0.991 682 I CA -2.029 59.286 61.300 0.026 0.000 1.227 682 I CB 1.466 39.538 38.000 0.120 0.000 1.366 682 I HN -0.238 nan 8.210 nan 0.000 0.466 683 P HA 0.023 nan 4.420 nan 0.000 0.224 683 P C 0.029 177.104 177.300 -0.375 0.000 1.157 683 P CA 0.788 63.778 63.100 -0.182 0.000 0.799 683 P CB 0.812 32.305 31.700 -0.345 0.000 0.809 684 N N -0.725 117.736 118.700 -0.397 0.000 2.229 684 N HA 0.228 4.970 4.740 0.003 0.000 0.298 684 N C -0.474 174.941 175.510 -0.158 0.000 1.114 684 N CA -0.477 52.355 53.050 -0.363 0.000 0.776 684 N CB 2.119 40.367 38.487 -0.397 0.000 1.501 684 N HN -0.117 nan 8.380 nan 0.000 0.474 685 T N -0.532 113.983 114.554 -0.065 0.000 2.930 685 T HA 0.478 4.830 4.350 0.003 0.000 0.306 685 T C 0.157 174.833 174.700 -0.040 0.000 1.045 685 T CA -0.624 61.470 62.100 -0.010 0.000 1.134 685 T CB 1.010 69.943 68.868 0.109 0.000 0.961 685 T HN 0.452 nan 8.240 nan 0.000 0.545 686 A N 2.486 125.279 122.820 -0.045 0.000 2.311 686 A HA 0.667 4.989 4.320 0.003 0.000 0.334 686 A C 1.505 179.056 177.584 -0.056 0.000 1.139 686 A CA -0.299 51.711 52.037 -0.045 0.000 0.830 686 A CB 0.980 19.959 19.000 -0.035 0.000 1.234 686 A HN 1.098 nan 8.150 nan 0.000 0.483 687 T N -1.808 112.713 114.554 -0.055 0.000 2.951 687 T HA 0.086 4.438 4.350 0.003 0.000 0.268 687 T C -1.555 173.109 174.700 -0.060 0.000 1.073 687 T CA 0.302 62.369 62.100 -0.056 0.000 1.134 687 T CB -1.470 67.358 68.868 -0.067 0.000 0.884 687 T HN 0.429 nan 8.240 nan 0.000 0.479 688 P HA 0.321 nan 4.420 nan 0.000 0.263 688 P C 1.093 178.341 177.300 -0.086 0.000 1.195 688 P CA 1.125 64.191 63.100 -0.056 0.000 0.762 688 P CB 0.093 31.768 31.700 -0.042 0.000 0.799 689 G N 3.196 111.937 108.800 -0.099 0.000 2.189 689 G HA2 -0.275 3.687 3.960 0.003 0.000 0.267 689 G HA3 -0.275 3.687 3.960 0.003 0.000 0.267 689 G C 0.600 175.340 174.900 -0.266 0.000 0.975 689 G CA -0.166 44.851 45.100 -0.139 0.000 0.644 689 G HN 0.559 nan 8.290 nan 0.000 0.537 690 N N 0.648 119.168 118.700 -0.299 0.000 2.535 690 N HA 0.374 5.115 4.740 0.003 0.000 0.294 690 N C 0.078 175.308 175.510 -0.467 0.000 1.408 690 N CA 0.675 53.399 53.050 -0.543 0.000 0.927 690 N CB 0.831 39.081 38.487 -0.396 0.000 1.276 690 N HN 0.713 nan 8.380 nan 0.000 0.505 691 S N -1.205 114.279 115.700 -0.361 0.000 2.599 691 S HA 0.850 5.322 4.470 0.003 0.000 0.294 691 S C -0.140 174.354 174.600 -0.177 0.000 1.094 691 S CA -0.671 57.334 58.200 -0.325 0.000 0.931 691 S CB 2.289 65.233 63.200 -0.428 0.000 1.093 691 S HN -0.052 nan 8.310 nan 0.000 0.488 692 V N -2.051 117.794 119.914 -0.115 0.000 3.159 692 V HA 1.069 5.191 4.120 0.003 0.000 0.308 692 V C 0.269 176.380 176.094 0.027 0.000 1.190 692 V CA 0.024 62.377 62.300 0.088 0.000 1.037 692 V CB 1.027 32.955 31.823 0.174 0.000 1.060 692 V HN 1.801 nan 8.190 nan 0.000 0.437 693 G N 0.635 109.503 108.800 0.113 0.000 2.455 693 G HA2 0.614 4.576 3.960 0.003 0.000 0.223 693 G HA3 0.614 4.576 3.960 0.003 0.000 0.223 693 G C -1.490 173.480 174.900 0.117 0.000 1.226 693 G CA 0.130 45.237 45.100 0.011 0.000 0.948 693 G HN 2.243 nan 8.290 nan 0.000 0.478 694 F N -1.676 118.192 119.950 -0.137 0.000 2.713 694 F HA 0.874 5.402 4.527 0.003 0.000 0.311 694 F C -1.711 174.021 175.800 -0.112 0.000 1.141 694 F CA -1.418 56.522 58.000 -0.100 0.000 0.939 694 F CB 1.144 40.075 39.000 -0.115 0.000 1.325 694 F HN 0.495 nan 8.300 nan 0.000 0.453 695 L N 2.402 123.702 121.223 0.128 0.000 2.342 695 L HA 0.680 5.022 4.340 0.003 0.000 0.271 695 L C -0.889 176.094 176.870 0.189 0.000 1.008 695 L CA -0.645 54.225 54.840 0.050 0.000 0.818 695 L CB 2.000 44.052 42.059 -0.011 0.000 1.296 695 L HN 0.647 nan 8.230 nan 0.000 0.427 696 L N 3.196 124.526 121.223 0.179 0.000 2.319 696 L HA 0.683 5.024 4.340 0.003 0.000 0.281 696 L C -0.432 176.612 176.870 0.291 0.000 1.005 696 L CA -0.640 54.368 54.840 0.280 0.000 0.828 696 L CB 1.362 43.599 42.059 0.297 0.000 1.227 696 L HN 0.667 nan 8.230 nan 0.000 0.415 697 R N 3.232 123.816 120.500 0.139 0.000 2.686 697 R HA 0.689 5.031 4.340 0.003 0.000 0.286 697 R C -2.986 172.977 176.300 -0.561 0.000 0.969 697 R CA -1.996 54.043 56.100 -0.102 0.000 0.898 697 R CB 1.690 31.952 30.300 -0.063 0.000 1.183 697 R HN 0.142 nan 8.270 nan 0.000 0.456 698 P HA 0.057 nan 4.420 nan 0.000 0.271 698 P C -1.320 175.843 177.300 -0.228 0.000 1.216 698 P CA -0.031 62.458 63.100 -1.019 0.000 0.776 698 P CB 0.389 31.806 31.700 -0.470 0.000 0.881 699 F N 3.901 123.715 119.950 -0.226 0.000 2.771 699 F HA 0.296 4.825 4.527 0.003 0.000 0.365 699 F C 0.255 176.073 175.800 0.030 0.000 1.169 699 F CA -0.363 57.613 58.000 -0.041 0.000 1.093 699 F CB 0.368 39.379 39.000 0.017 0.000 1.363 699 F HN 0.277 nan 8.300 nan 0.000 0.496 700 N N 3.557 122.080 118.700 -0.294 0.000 2.753 700 N HA -0.322 4.420 4.740 0.003 0.000 0.251 700 N C 0.743 176.255 175.510 0.005 0.000 1.097 700 N CA 1.506 54.470 53.050 -0.144 0.000 0.786 700 N CB -1.746 36.635 38.487 -0.178 0.000 1.137 700 N HN 0.700 nan 8.380 nan 0.000 0.566 701 F N 0.046 119.891 119.950 -0.176 0.000 2.187 701 F HA 0.180 4.709 4.527 0.003 0.000 0.295 701 F C 0.766 176.297 175.800 -0.448 0.000 1.091 701 F CA 0.952 58.751 58.000 -0.335 0.000 1.308 701 F CB 0.189 38.887 39.000 -0.503 0.000 1.030 701 F HN -0.025 nan 8.300 nan 0.000 0.487 702 F N 0.062 120.128 119.950 0.193 0.000 2.470 702 F HA 0.347 4.875 4.527 0.003 0.000 0.329 702 F C -1.270 174.570 175.800 0.066 0.000 1.072 702 F CA -2.136 55.930 58.000 0.109 0.000 0.989 702 F CB 0.198 39.280 39.000 0.136 0.000 1.193 702 F HN -0.299 nan 8.300 nan 0.000 0.481 703 P HA -0.073 nan 4.420 nan 0.000 0.221 703 P C -0.728 176.793 177.300 0.369 0.000 1.150 703 P CA 1.193 64.429 63.100 0.227 0.000 0.800 703 P CB 0.161 31.925 31.700 0.108 0.000 0.787 704 E N -2.309 118.038 120.200 0.245 0.000 2.425 704 E HA 0.222 4.574 4.350 0.003 0.000 0.272 704 E C -1.308 175.343 176.600 0.085 0.000 1.061 704 E CA -0.965 55.525 56.400 0.150 0.000 0.877 704 E CB -0.124 29.646 29.700 0.117 0.000 1.590 704 E HN -0.325 nan 8.360 nan 0.000 0.462 705 D N 1.702 122.111 120.400 0.015 0.000 2.502 705 D HA 0.012 4.654 4.640 0.003 0.000 0.249 705 D C -1.226 175.017 176.300 -0.095 0.000 1.188 705 D CA -1.584 52.392 54.000 -0.040 0.000 0.890 705 D CB 0.974 41.747 40.800 -0.046 0.000 1.140 705 D HN 0.182 nan 8.370 nan 0.000 0.505 706 P HA -0.107 nan 4.420 nan 0.000 0.233 706 P C 0.950 178.171 177.300 -0.132 0.000 1.167 706 P CA 0.535 63.438 63.100 -0.329 0.000 0.770 706 P CB -0.004 31.109 31.700 -0.978 0.000 0.837 707 S N -0.740 114.902 115.700 -0.096 0.000 2.561 707 S HA -0.001 4.471 4.470 0.003 0.000 0.225 707 S C 1.847 176.413 174.600 -0.057 0.000 0.977 707 S CA 0.141 58.323 58.200 -0.029 0.000 0.926 707 S CB -1.462 61.738 63.200 0.000 0.000 0.769 707 S HN 0.061 nan 8.310 nan 0.000 0.533 708 L N 0.802 121.978 121.223 -0.079 0.000 2.261 708 L HA -0.014 4.328 4.340 0.003 0.000 0.216 708 L C 2.844 179.635 176.870 -0.132 0.000 1.114 708 L CA 1.046 55.822 54.840 -0.105 0.000 0.777 708 L CB -0.568 41.435 42.059 -0.093 0.000 0.910 708 L HN 0.517 nan 8.230 nan 0.000 0.440 709 A N -1.266 121.491 122.820 -0.106 0.000 2.206 709 A HA -0.043 4.279 4.320 0.003 0.000 0.211 709 A C 1.432 178.947 177.584 -0.116 0.000 1.158 709 A CA 0.328 52.296 52.037 -0.116 0.000 0.761 709 A CB -0.251 18.690 19.000 -0.099 0.000 0.801 709 A HN 0.273 nan 8.150 nan 0.000 0.473 710 S N -0.002 115.640 115.700 -0.098 0.000 2.516 710 S HA 0.213 4.685 4.470 0.003 0.000 0.282 710 S C 0.886 175.432 174.600 -0.090 0.000 1.286 710 S CA -0.521 57.637 58.200 -0.070 0.000 1.066 710 S CB 0.210 63.393 63.200 -0.028 0.000 0.884 710 S HN 0.366 nan 8.310 nan 0.000 0.491 711 R N 3.014 123.490 120.500 -0.040 0.000 2.320 711 R HA 0.167 4.509 4.340 0.003 0.000 0.211 711 R C 0.478 176.855 176.300 0.129 0.000 0.931 711 R CA 0.079 56.191 56.100 0.021 0.000 1.071 711 R CB -0.584 29.765 30.300 0.081 0.000 1.025 711 R HN 0.616 nan 8.270 nan 0.000 0.495 712 D N -0.018 120.434 120.400 0.087 0.000 2.347 712 D HA -0.022 4.620 4.640 0.003 0.000 0.213 712 D C 0.015 176.404 176.300 0.148 0.000 0.985 712 D CA 0.556 54.626 54.000 0.117 0.000 0.879 712 D CB 0.099 40.955 40.800 0.094 0.000 0.919 712 D HN 0.002 nan 8.370 nan 0.000 0.526 713 T N 0.904 115.532 114.554 0.123 0.000 2.934 713 T HA 0.177 4.529 4.350 0.003 0.000 0.306 713 T C 0.342 175.227 174.700 0.307 0.000 1.042 713 T CA 0.049 62.230 62.100 0.135 0.000 1.145 713 T CB 1.458 70.322 68.868 -0.007 0.000 0.982 713 T HN -0.243 nan 8.240 nan 0.000 0.544 714 V N 4.704 124.756 119.914 0.229 0.000 2.604 714 V HA 0.541 4.663 4.120 0.003 0.000 0.305 714 V C -0.140 176.040 176.094 0.143 0.000 1.043 714 V CA -0.825 61.606 62.300 0.218 0.000 0.888 714 V CB 1.769 33.692 31.823 0.167 0.000 0.995 714 V HN 0.742 nan 8.190 nan 0.000 0.429 715 I N 4.344 124.962 120.570 0.080 0.000 2.466 715 I HA 0.510 4.682 4.170 0.003 0.000 0.289 715 I C -0.758 175.190 176.117 -0.282 0.000 1.026 715 I CA -0.900 60.306 61.300 -0.158 0.000 1.078 715 I CB 2.153 39.994 38.000 -0.265 0.000 1.249 715 I HN 0.253 nan 8.210 nan 0.000 0.429 716 V N 5.122 124.917 119.914 -0.197 0.000 2.394 716 V HA 0.372 4.494 4.120 0.003 0.000 0.282 716 V C -0.984 174.968 176.094 -0.236 0.000 1.031 716 V CA -0.437 61.834 62.300 -0.048 0.000 0.881 716 V CB 1.087 33.059 31.823 0.249 0.000 0.982 716 V HN 0.592 nan 8.190 nan 0.000 0.451 717 W N 5.765 127.097 121.300 0.053 0.000 2.736 717 W HA 0.584 5.245 4.660 0.002 0.000 0.335 717 W C -2.346 174.157 176.519 -0.027 0.000 1.059 717 W CA -2.322 54.981 57.345 -0.070 0.000 1.226 717 W CB 1.427 30.916 29.460 0.049 0.000 1.416 717 W HN 0.294 nan 8.180 nan 0.000 0.505 718 P HA 0.326 nan 4.420 nan 0.000 0.274 718 P C -0.792 176.607 177.300 0.164 0.000 1.231 718 P CA -0.267 62.919 63.100 0.144 0.000 0.790 718 P CB 1.259 32.971 31.700 0.020 0.000 0.951 719 R N 0.931 121.525 120.500 0.158 0.000 2.628 719 R HA 0.350 4.692 4.340 0.003 0.000 0.288 719 R C -0.663 175.687 176.300 0.082 0.000 0.980 719 R CA -0.780 55.382 56.100 0.103 0.000 0.891 719 R CB 1.148 31.507 30.300 0.098 0.000 1.188 719 R HN 0.376 nan 8.270 nan 0.000 0.450 720 D N 2.954 123.386 120.400 0.054 0.000 2.425 720 D HA 0.003 4.645 4.640 0.003 0.000 0.247 720 D C 0.253 176.579 176.300 0.042 0.000 1.147 720 D CA 0.638 54.666 54.000 0.046 0.000 0.879 720 D CB 0.384 41.202 40.800 0.030 0.000 1.179 720 D HN 0.500 nan 8.370 nan 0.000 0.456 721 N N 0.692 119.419 118.700 0.045 0.000 2.708 721 N HA -0.167 4.575 4.740 0.003 0.000 0.251 721 N C 0.365 175.899 175.510 0.040 0.000 1.123 721 N CA 1.385 54.458 53.050 0.038 0.000 0.739 721 N CB -1.093 37.410 38.487 0.026 0.000 1.113 721 N HN 0.594 nan 8.380 nan 0.000 0.561 722 G N -0.599 108.233 108.800 0.054 0.000 2.766 722 G HA2 0.698 4.660 3.960 0.003 0.000 0.288 722 G HA3 0.698 4.660 3.960 0.003 0.000 0.288 722 G C -2.895 172.053 174.900 0.079 0.000 1.408 722 G CA -0.783 44.351 45.100 0.057 0.000 0.852 722 G HN -0.075 nan 8.290 nan 0.000 0.487 723 P HA 0.223 nan 4.420 nan 0.000 0.272 723 P C -0.343 177.044 177.300 0.146 0.000 1.240 723 P CA -0.668 62.492 63.100 0.099 0.000 0.791 723 P CB 0.532 32.282 31.700 0.083 0.000 0.978 724 N N 0.296 119.104 118.700 0.180 0.000 2.415 724 N HA -0.002 4.740 4.740 0.003 0.000 0.248 724 N C -0.525 175.153 175.510 0.279 0.000 1.271 724 N CA 0.078 53.281 53.050 0.256 0.000 0.913 724 N CB -0.072 38.597 38.487 0.304 0.000 1.129 724 N HN 0.434 nan 8.380 nan 0.000 0.444 725 Y N 1.016 121.430 120.300 0.190 0.000 2.383 725 Y HA 0.287 4.839 4.550 0.003 0.000 0.344 725 Y C -0.631 175.402 175.900 0.222 0.000 0.986 725 Y CA -0.899 57.303 58.100 0.169 0.000 1.175 725 Y CB 0.427 38.974 38.460 0.146 0.000 1.152 725 Y HN 0.138 nan 8.280 nan 0.000 0.511 726 V N 7.992 127.818 119.914 -0.147 0.000 2.334 726 V HA 0.187 4.309 4.120 0.003 0.000 0.267 726 V C -0.064 175.682 176.094 -0.580 0.000 1.040 726 V CA -0.551 61.604 62.300 -0.242 0.000 0.866 726 V CB 0.731 32.516 31.823 -0.063 0.000 1.019 726 V HN 0.758 nan 8.190 nan 0.000 0.468 727 Q N 5.810 125.205 119.800 -0.675 0.000 2.296 727 Q HA 0.536 4.878 4.340 0.003 0.000 0.257 727 Q C -0.435 175.220 176.000 -0.574 0.000 0.942 727 Q CA -0.391 54.954 55.803 -0.764 0.000 0.939 727 Q CB 0.882 29.342 28.738 -0.464 0.000 1.198 727 Q HN 0.690 nan 8.270 nan 0.000 0.429 728 R N 2.721 122.818 120.500 -0.672 0.000 2.837 728 R HA 0.375 4.717 4.340 0.003 0.000 0.271 728 R C -0.279 175.653 176.300 -0.614 0.000 0.993 728 R CA -0.567 55.294 56.100 -0.399 0.000 0.931 728 R CB 1.306 31.518 30.300 -0.147 0.000 1.206 728 R HN 0.767 nan 8.270 nan 0.000 0.474 729 W N 1.005 122.319 121.300 0.023 0.000 2.714 729 W HA 0.380 5.042 4.660 0.003 0.000 0.353 729 W C -0.215 176.311 176.519 0.011 0.000 0.999 729 W CA 0.059 57.418 57.345 0.022 0.000 1.629 729 W CB 0.844 30.315 29.460 0.019 0.000 1.106 729 W HN 0.286 nan 8.180 nan 0.000 0.545 730 I N 2.059 122.727 120.570 0.163 0.000 2.569 730 I HA 0.239 4.411 4.170 0.003 0.000 0.290 730 I C -2.015 174.124 176.117 0.036 0.000 1.088 730 I CA -1.910 59.439 61.300 0.081 0.000 1.047 730 I CB 2.662 40.705 38.000 0.072 0.000 1.237 730 I HN -0.450 nan 8.210 nan 0.000 0.421 731 P HA 0.057 nan 4.420 nan 0.000 0.272 731 P C -0.501 176.808 177.300 0.015 0.000 1.223 731 P CA -0.235 62.870 63.100 0.008 0.000 0.784 731 P CB 0.624 32.329 31.700 0.009 0.000 0.923 732 E N 1.030 121.244 120.200 0.023 0.000 2.465 732 E HA -0.071 4.281 4.350 0.003 0.000 0.260 732 E C -0.443 176.188 176.600 0.052 0.000 0.980 732 E CA 0.017 56.439 56.400 0.037 0.000 0.927 732 E CB 0.158 29.878 29.700 0.035 0.000 0.934 732 E HN 0.328 nan 8.360 nan 0.000 0.459 733 D N 3.423 123.865 120.400 0.071 0.000 2.232 733 D HA 0.185 4.827 4.640 0.003 0.000 0.242 733 D C -0.385 175.979 176.300 0.106 0.000 1.093 733 D CA -0.330 53.745 54.000 0.125 0.000 0.845 733 D CB 0.716 41.621 40.800 0.175 0.000 1.124 733 D HN 0.404 nan 8.370 nan 0.000 0.467 734 R N 2.471 123.030 120.500 0.098 0.000 2.592 734 R HA 0.217 4.559 4.340 0.003 0.000 0.439 734 R C -0.622 175.710 176.300 0.054 0.000 0.995 734 R CA -0.598 55.543 56.100 0.069 0.000 1.141 734 R CB 0.522 30.850 30.300 0.048 0.000 1.495 734 R HN 0.387 nan 8.270 nan 0.000 0.579 735 D N 0.260 120.697 120.400 0.063 0.000 2.361 735 D HA 0.091 4.733 4.640 0.003 0.000 0.239 735 D C -0.104 176.181 176.300 -0.025 0.000 1.200 735 D CA 0.155 54.156 54.000 0.001 0.000 0.915 735 D CB 0.890 41.647 40.800 -0.072 0.000 1.170 735 D HN 0.064 nan 8.370 nan 0.000 0.444 736 C N 0.423 119.699 119.300 -0.039 0.000 2.707 736 C HA 0.787 5.249 4.460 0.003 0.000 0.313 736 C C -0.174 174.789 174.990 -0.045 0.000 1.209 736 C CA -0.343 58.657 59.018 -0.031 0.000 1.635 736 C CB 0.916 28.649 27.740 -0.011 0.000 2.206 736 C HN 0.756 nan 8.230 nan 0.000 0.485 737 S N 1.949 117.630 115.700 -0.031 0.000 2.625 737 S HA 0.822 5.294 4.470 0.003 0.000 0.271 737 S C -1.359 173.238 174.600 -0.005 0.000 1.161 737 S CA -0.824 57.361 58.200 -0.025 0.000 0.820 737 S CB 1.188 64.364 63.200 -0.039 0.000 1.137 737 S HN 0.668 nan 8.310 nan 0.000 0.470 738 M N 1.750 121.352 119.600 0.003 0.000 2.464 738 M HA 0.561 5.043 4.480 0.003 0.000 0.308 738 M C -2.624 173.690 176.300 0.023 0.000 1.127 738 M CA -1.597 53.712 55.300 0.014 0.000 0.913 738 M CB 1.886 34.493 32.600 0.013 0.000 1.689 738 M HN 0.655 nan 8.290 nan 0.000 0.445 739 P HA 0.516 nan 4.420 nan 0.000 0.276 739 P C -2.744 174.583 177.300 0.046 0.000 1.261 739 P CA -0.976 62.153 63.100 0.050 0.000 0.800 739 P CB -0.701 31.039 31.700 0.066 0.000 1.066 740 P HA 0.295 nan 4.420 nan 0.000 0.272 740 P C -2.378 174.950 177.300 0.046 0.000 1.230 740 P CA -1.011 62.110 63.100 0.034 0.000 0.788 740 P CB -1.362 30.350 31.700 0.020 0.000 0.949 741 P HA 0.101 nan 4.420 nan 0.000 0.269 741 P C -0.348 177.006 177.300 0.090 0.000 1.209 741 P CA -0.184 62.961 63.100 0.074 0.000 0.776 741 P CB 0.146 31.880 31.700 0.056 0.000 0.876 742 F N 2.373 122.316 119.950 -0.011 0.000 2.607 742 F HA 0.231 4.760 4.527 0.003 0.000 0.374 742 F C 0.440 176.236 175.800 -0.007 0.000 1.104 742 F CA 0.903 58.894 58.000 -0.015 0.000 1.296 742 F CB 0.284 39.276 39.000 -0.013 0.000 1.085 742 F HN 0.373 nan 8.300 nan 0.000 0.584 743 S N 5.203 120.450 115.700 -0.756 0.000 2.588 743 S HA 0.652 5.124 4.470 0.003 0.000 0.275 743 S C -1.660 172.478 174.600 -0.770 0.000 1.130 743 S CA -0.779 57.096 58.200 -0.542 0.000 0.855 743 S CB 1.976 65.016 63.200 -0.266 0.000 1.116 743 S HN 0.790 nan 8.310 nan 0.000 0.472 744 Y N 1.214 121.218 120.300 -0.493 0.000 2.436 744 Y HA 0.456 5.008 4.550 0.003 0.000 0.327 744 Y C 0.312 176.129 175.900 -0.137 0.000 1.138 744 Y CA -0.665 57.239 58.100 -0.326 0.000 1.042 744 Y CB 1.849 40.191 38.460 -0.197 0.000 1.302 744 Y HN 0.863 nan 8.280 nan 0.000 0.439 745 N N 2.335 120.793 118.700 -0.404 0.000 2.420 745 N HA 0.087 4.828 4.740 0.003 0.000 0.185 745 N C 1.333 176.784 175.510 -0.098 0.000 1.033 745 N CA 1.536 54.467 53.050 -0.198 0.000 0.879 745 N CB 0.483 38.844 38.487 -0.209 0.000 1.071 745 N HN 1.135 nan 8.380 nan 0.000 0.437 746 G N 0.416 109.094 108.800 -0.203 0.000 2.205 746 G HA2 -0.265 3.696 3.960 0.003 0.000 0.261 746 G HA3 -0.265 3.696 3.960 0.003 0.000 0.261 746 G C 0.316 175.265 174.900 0.081 0.000 0.980 746 G CA 1.160 46.296 45.100 0.060 0.000 0.632 746 G HN 0.740 nan 8.290 nan 0.000 0.533 747 T N -1.187 113.365 114.554 -0.003 0.000 2.945 747 T HA 0.733 5.085 4.350 0.003 0.000 0.286 747 T C -0.464 174.227 174.700 -0.014 0.000 1.025 747 T CA -0.206 61.844 62.100 -0.083 0.000 1.039 747 T CB 1.944 70.727 68.868 -0.142 0.000 1.068 747 T HN 1.324 nan 8.240 nan 0.000 0.497 748 Y N -0.247 119.955 120.300 -0.165 0.000 2.315 748 Y HA 0.818 5.370 4.550 0.003 0.000 0.324 748 Y C -0.534 175.248 175.900 -0.197 0.000 1.062 748 Y CA -1.368 56.548 58.100 -0.306 0.000 1.159 748 Y CB 1.270 39.320 38.460 -0.682 0.000 1.145 748 Y HN 0.550 nan 8.280 nan 0.000 0.442 749 R N 2.033 122.477 120.500 -0.093 0.000 2.774 749 R HA 0.521 4.863 4.340 0.003 0.000 0.272 749 R C -3.248 173.090 176.300 0.064 0.000 1.000 749 R CA -2.397 53.671 56.100 -0.054 0.000 0.906 749 R CB 1.915 32.170 30.300 -0.075 0.000 1.227 749 R HN 0.418 nan 8.270 nan 0.000 0.468 750 P HA 0.113 nan 4.420 nan 0.000 0.268 750 P C -0.358 177.030 177.300 0.147 0.000 1.208 750 P CA -0.145 63.054 63.100 0.165 0.000 0.777 750 P CB 0.600 32.367 31.700 0.111 0.000 0.875 751 V N 0.000 120.050 119.914 0.227 0.000 2.409 751 V HA 0.000 4.122 4.120 0.003 0.000 0.244 751 V CA 0.000 62.388 62.300 0.147 0.000 1.235 751 V CB 0.000 31.948 31.823 0.209 0.000 1.184 751 V HN 0.000 nan 8.190 nan 0.000 0.556