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 1t0q_1_A DATA FIRST_RESID 2 DATA SEQUENCE SMLKREDWYD LTRTTNWTPK YVTENELFPE EMSGARGISM EAWEKYDEPY DATA SEQUENCE KITYPEYVSI QREKDSGAYS IKAALERDGF VDRADPGWVS TMQLHFGAIA DATA SEQUENCE LEEYAASTAE ARMARFAKAP GNRNMATFGM MDENRHGQIQ LYFPYANVKR DATA SEQUENCE SRKWDWAHKA IHTNEWAAIA ARSFFDDMMM TRDSVAVSIM LTFAFETGFT DATA SEQUENCE NMQFLGLAAD AAEAGDHTFA SLISSIQTDE SRHAQQGGPS LKILVENGKK DATA SEQUENCE DEAQQMVDVA IWRSWKLFSV LTGPIMDYYT PLESRNQSFK EFMLEWIVAQ DATA SEQUENCE FERQLLDLGL DKPWYWDQFM QDLDETHHGM HLGVWYWRPT VWWDPAAGVS DATA SEQUENCE PEEREWLEEK YPGWNDTWGQ CWDVITDNLV NGKPELTVPE TLPTICNMCN DATA SEQUENCE LPIAHTPGNK WNVKDYQLEY EGRLYHFGSE ADRWCFQIDP ERYKNHTNLV DATA SEQUENCE DRFLKGEIQP ADLAGALMYM SLEPGVMGDD AHDYEWVKAY Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.603 174.600 0.005 0.000 1.055 2 S CA 0.000 58.205 58.200 0.009 0.000 1.107 2 S CB 0.000 63.208 63.200 0.013 0.000 0.593 3 M N 1.569 121.180 119.600 0.019 0.000 2.530 3 M HA 0.632 5.113 4.480 0.001 0.000 0.307 3 M C -1.578 174.751 176.300 0.049 0.000 1.161 3 M CA -0.491 54.822 55.300 0.021 0.000 0.903 3 M CB 1.403 34.027 32.600 0.040 0.000 1.711 3 M HN 0.646 nan 8.290 nan 0.000 0.451 4 L N 2.656 123.908 121.223 0.049 0.000 2.439 4 L HA 0.362 4.703 4.340 0.001 0.000 0.261 4 L C 0.121 177.140 176.870 0.248 0.000 1.153 4 L CA -0.482 54.436 54.840 0.130 0.000 0.808 4 L CB 0.667 42.792 42.059 0.111 0.000 1.126 4 L HN 0.617 nan 8.230 nan 0.000 0.460 5 K N 1.027 121.575 120.400 0.247 0.000 2.202 5 K HA 0.122 4.443 4.320 0.001 0.000 0.264 5 K C 0.878 177.668 176.600 0.316 0.000 1.010 5 K CA -0.343 56.079 56.287 0.225 0.000 0.940 5 K CB 1.177 33.758 32.500 0.135 0.000 0.983 5 K HN 0.463 nan 8.250 nan 0.000 0.475 6 R N 1.987 122.605 120.500 0.197 0.000 2.083 6 R HA -0.174 4.167 4.340 0.001 0.000 0.237 6 R C 1.519 177.683 176.300 -0.227 0.000 1.137 6 R CA 1.886 57.961 56.100 -0.041 0.000 0.951 6 R CB 0.060 30.322 30.300 -0.063 0.000 0.851 6 R HN 0.659 nan 8.270 nan 0.000 0.434 7 E N 0.603 120.761 120.200 -0.071 0.000 2.209 7 E HA -0.214 4.136 4.350 0.001 0.000 0.196 7 E C 1.044 177.654 176.600 0.017 0.000 0.993 7 E CA 1.183 57.552 56.400 -0.052 0.000 0.819 7 E CB -0.364 29.323 29.700 -0.022 0.000 0.745 7 E HN 0.473 nan 8.360 nan 0.000 0.477 8 D N 0.104 120.567 120.400 0.104 0.000 2.269 8 D HA -0.093 4.548 4.640 0.001 0.000 0.208 8 D C 1.511 177.976 176.300 0.275 0.000 0.963 8 D CA 1.044 55.160 54.000 0.192 0.000 0.864 8 D CB -0.144 40.805 40.800 0.249 0.000 0.936 8 D HN 0.586 nan 8.370 nan 0.000 0.505 9 W N -1.010 120.361 121.300 0.118 0.000 2.324 9 W HA 0.179 4.840 4.660 0.001 0.000 0.316 9 W C 1.259 177.856 176.519 0.129 0.000 0.927 9 W CA -0.511 56.896 57.345 0.104 0.000 1.438 9 W CB -1.048 28.459 29.460 0.079 0.000 1.085 9 W HN -0.168 nan 8.180 nan 0.000 0.532 10 Y N 3.413 123.381 120.300 -0.553 0.000 2.102 10 Y HA -0.294 4.256 4.550 0.001 0.000 0.280 10 Y C 2.106 177.917 175.900 -0.149 0.000 1.178 10 Y CA 2.841 60.635 58.100 -0.510 0.000 1.146 10 Y CB -0.480 37.740 38.460 -0.400 0.000 0.968 10 Y HN -0.211 nan 8.280 nan 0.000 0.504 11 D N 0.064 120.504 120.400 0.066 0.000 2.182 11 D HA -0.206 4.434 4.640 0.001 0.000 0.201 11 D C 2.236 178.541 176.300 0.008 0.000 0.986 11 D CA 1.513 55.546 54.000 0.055 0.000 0.847 11 D CB -0.355 40.507 40.800 0.104 0.000 0.942 11 D HN 0.430 nan 8.370 nan 0.000 0.467 12 L N 0.801 122.054 121.223 0.049 0.000 2.191 12 L HA -0.138 4.202 4.340 0.001 0.000 0.212 12 L C 2.604 179.494 176.870 0.033 0.000 1.103 12 L CA 1.397 56.281 54.840 0.074 0.000 0.769 12 L CB -0.720 41.426 42.059 0.145 0.000 0.908 12 L HN 0.139 nan 8.230 nan 0.000 0.438 13 T N -1.815 112.711 114.554 -0.047 0.000 3.007 13 T HA -0.177 4.173 4.350 0.001 0.000 0.270 13 T C 1.648 176.287 174.700 -0.101 0.000 1.107 13 T CA 0.886 62.937 62.100 -0.083 0.000 1.118 13 T CB -0.224 68.511 68.868 -0.222 0.000 0.889 13 T HN 0.551 nan 8.240 nan 0.000 0.506 14 R N 0.089 120.527 120.500 -0.104 0.000 2.508 14 R HA 0.239 4.579 4.340 0.001 0.000 0.300 14 R C -0.108 176.208 176.300 0.027 0.000 0.970 14 R CA -0.304 55.776 56.100 -0.033 0.000 1.102 14 R CB -0.220 30.064 30.300 -0.026 0.000 1.246 14 R HN 0.129 nan 8.270 nan 0.000 0.539 15 T N 1.925 116.500 114.554 0.035 0.000 3.766 15 T HA 0.083 4.434 4.350 0.001 0.000 0.327 15 T C 0.607 175.356 174.700 0.083 0.000 1.595 15 T CA 0.064 62.202 62.100 0.064 0.000 1.204 15 T CB 0.858 69.763 68.868 0.063 0.000 1.245 15 T HN 0.372 nan 8.240 nan 0.000 0.875 16 T N -2.345 112.273 114.554 0.107 0.000 3.043 16 T HA 0.202 4.553 4.350 0.001 0.000 0.272 16 T C 0.584 175.463 174.700 0.298 0.000 0.990 16 T CA -0.551 61.647 62.100 0.164 0.000 0.897 16 T CB 0.154 69.099 68.868 0.128 0.000 1.111 16 T HN 0.138 nan 8.240 nan 0.000 0.529 17 N N 2.461 121.295 118.700 0.224 0.000 2.508 17 N HA 0.516 5.257 4.740 0.001 0.000 0.264 17 N C -0.668 175.053 175.510 0.351 0.000 1.216 17 N CA -0.365 52.817 53.050 0.221 0.000 0.943 17 N CB 0.586 39.117 38.487 0.074 0.000 1.113 17 N HN 0.737 nan 8.380 nan 0.000 0.447 18 W N -0.819 120.525 121.300 0.072 0.000 3.042 18 W HA 0.486 5.147 4.660 0.001 0.000 0.342 18 W C -1.280 175.281 176.519 0.069 0.000 1.240 18 W CA -0.850 56.531 57.345 0.059 0.000 1.166 18 W CB 0.207 29.699 29.460 0.054 0.000 1.469 18 W HN 0.122 nan 8.180 nan 0.000 0.579 19 T N 4.417 119.083 114.554 0.187 0.000 2.762 19 T HA 0.272 4.622 4.350 0.001 0.000 0.303 19 T C -2.039 172.705 174.700 0.073 0.000 0.977 19 T CA -0.860 61.261 62.100 0.035 0.000 0.961 19 T CB 0.260 69.170 68.868 0.069 0.000 0.944 19 T HN 0.207 nan 8.240 nan 0.000 0.481 20 P HA 0.137 nan 4.420 nan 0.000 0.266 20 P C 0.251 177.550 177.300 -0.000 0.000 1.195 20 P CA -0.152 62.953 63.100 0.009 0.000 0.768 20 P CB 1.485 33.128 31.700 -0.095 0.000 0.838 21 K N 1.479 121.845 120.400 -0.056 0.000 2.493 21 K HA 0.055 4.376 4.320 0.001 0.000 0.201 21 K C 1.077 177.436 176.600 -0.401 0.000 1.355 21 K CA 0.048 56.153 56.287 -0.304 0.000 0.953 21 K CB 0.154 32.329 32.500 -0.543 0.000 1.316 21 K HN 0.184 nan 8.250 nan 0.000 0.522 22 Y N 0.995 121.345 120.300 0.082 0.000 2.517 22 Y HA 0.089 4.639 4.550 0.001 0.000 0.281 22 Y C 0.934 176.860 175.900 0.043 0.000 1.125 22 Y CA 0.020 58.154 58.100 0.057 0.000 1.283 22 Y CB 0.494 38.989 38.460 0.058 0.000 1.042 22 Y HN -0.069 nan 8.280 nan 0.000 0.547 23 V N -3.557 116.426 119.914 0.114 0.000 3.167 23 V HA 0.750 4.871 4.120 0.001 0.000 0.310 23 V C 0.001 176.107 176.094 0.020 0.000 1.207 23 V CA -0.810 61.528 62.300 0.063 0.000 1.059 23 V CB 1.400 33.259 31.823 0.061 0.000 1.079 23 V HN 0.030 nan 8.190 nan 0.000 0.446 24 T N -2.368 112.193 114.554 0.011 0.000 2.902 24 T HA 0.422 4.772 4.350 0.001 0.000 0.280 24 T C 0.810 175.514 174.700 0.006 0.000 0.992 24 T CA 0.530 62.632 62.100 0.003 0.000 1.015 24 T CB 1.557 70.429 68.868 0.007 0.000 1.044 24 T HN 1.003 nan 8.240 nan 0.000 0.520 25 E N 0.388 120.598 120.200 0.017 0.000 2.106 25 E HA -0.183 4.167 4.350 0.001 0.000 0.192 25 E C 1.642 178.305 176.600 0.106 0.000 0.984 25 E CA 0.976 57.414 56.400 0.064 0.000 0.806 25 E CB -0.059 29.669 29.700 0.046 0.000 0.750 25 E HN 0.587 nan 8.360 nan 0.000 0.458 26 N N 0.711 119.446 118.700 0.059 0.000 2.309 26 N HA -0.125 4.615 4.740 0.001 0.000 0.182 26 N C 1.353 176.887 175.510 0.040 0.000 1.018 26 N CA 0.926 54.009 53.050 0.055 0.000 0.876 26 N CB -0.020 38.483 38.487 0.027 0.000 0.972 26 N HN 0.346 nan 8.380 nan 0.000 0.434 27 E N 0.208 120.420 120.200 0.020 0.000 2.076 27 E HA -0.078 4.272 4.350 0.001 0.000 0.190 27 E C 1.753 178.341 176.600 -0.021 0.000 0.979 27 E CA 0.372 56.773 56.400 0.003 0.000 0.807 27 E CB -0.034 29.667 29.700 0.002 0.000 0.761 27 E HN 0.093 nan 8.360 nan 0.000 0.454 28 L N -0.123 121.061 121.223 -0.065 0.000 2.093 28 L HA -0.058 4.283 4.340 0.001 0.000 0.208 28 L C 0.360 176.997 176.870 -0.389 0.000 1.085 28 L CA 1.562 56.250 54.840 -0.252 0.000 0.755 28 L CB 0.174 42.021 42.059 -0.352 0.000 0.904 28 L HN -0.049 nan 8.230 nan 0.000 0.435 29 F N 1.445 121.405 119.950 0.017 0.000 2.449 29 F HA 0.385 4.912 4.527 0.001 0.000 0.329 29 F C -2.070 173.723 175.800 -0.011 0.000 1.245 29 F CA -2.658 55.377 58.000 0.058 0.000 1.193 29 F CB -0.016 38.968 39.000 -0.026 0.000 1.425 29 F HN -0.029 nan 8.300 nan 0.000 0.544 30 P HA -0.051 nan 4.420 nan 0.000 0.263 30 P C 0.756 178.004 177.300 -0.086 0.000 1.195 30 P CA 0.351 63.426 63.100 -0.042 0.000 0.762 30 P CB 1.394 33.025 31.700 -0.115 0.000 0.799 31 E N 4.088 124.257 120.200 -0.052 0.000 2.114 31 E HA -0.257 4.094 4.350 0.001 0.000 0.199 31 E C 1.740 178.277 176.600 -0.106 0.000 1.008 31 E CA 2.233 58.598 56.400 -0.059 0.000 0.810 31 E CB -0.512 29.168 29.700 -0.034 0.000 0.739 31 E HN 0.657 nan 8.360 nan 0.000 0.456 32 E N -0.983 119.139 120.200 -0.130 0.000 2.265 32 E HA -0.194 4.156 4.350 0.001 0.000 0.196 32 E C 1.531 177.995 176.600 -0.227 0.000 0.996 32 E CA 1.210 57.519 56.400 -0.151 0.000 0.832 32 E CB -0.131 29.485 29.700 -0.139 0.000 0.756 32 E HN 0.271 nan 8.360 nan 0.000 0.491 33 M N 0.310 119.697 119.600 -0.356 0.000 2.615 33 M HA 0.172 4.652 4.480 0.001 0.000 0.262 33 M C 1.978 178.064 176.300 -0.357 0.000 1.198 33 M CA 0.579 55.528 55.300 -0.586 0.000 1.165 33 M CB 0.160 31.859 32.600 -1.501 0.000 1.310 33 M HN 0.037 nan 8.290 nan 0.000 0.494 34 S N 0.155 115.735 115.700 -0.200 0.000 2.387 34 S HA 0.213 4.684 4.470 0.001 0.000 0.221 34 S C 1.424 175.941 174.600 -0.139 0.000 1.041 34 S CA 0.973 59.134 58.200 -0.065 0.000 0.959 34 S CB -0.128 63.083 63.200 0.019 0.000 0.843 34 S HN 0.668 nan 8.310 nan 0.000 0.488 35 G N 1.296 110.031 108.800 -0.107 0.000 2.198 35 G HA2 -0.252 3.709 3.960 0.001 0.000 0.260 35 G HA3 -0.252 3.709 3.960 0.001 0.000 0.260 35 G C 0.739 175.606 174.900 -0.056 0.000 1.025 35 G CA 0.576 45.634 45.100 -0.071 0.000 0.769 35 G HN 0.693 nan 8.290 nan 0.000 0.507 36 A N -0.097 122.675 122.820 -0.081 0.000 2.070 36 A HA 0.224 4.545 4.320 0.001 0.000 0.220 36 A C 1.841 179.623 177.584 0.330 0.000 1.159 36 A CA 1.800 53.861 52.037 0.040 0.000 0.656 36 A CB -0.314 18.678 19.000 -0.014 0.000 0.800 36 A HN 1.414 nan 8.150 nan 0.000 0.453 37 R N -2.624 117.973 120.500 0.161 0.000 3.416 37 R HA -0.234 4.107 4.340 0.001 0.000 0.263 37 R C 1.073 177.441 176.300 0.114 0.000 1.053 37 R CA 0.440 56.620 56.100 0.134 0.000 0.705 37 R CB -2.375 28.017 30.300 0.155 0.000 1.124 37 R HN 1.583 nan 8.270 nan 0.000 0.444 38 G N -0.555 108.304 108.800 0.099 0.000 2.245 38 G HA2 -0.345 3.615 3.960 0.001 0.000 0.264 38 G HA3 -0.345 3.615 3.960 0.001 0.000 0.264 38 G C 0.382 175.317 174.900 0.059 0.000 0.985 38 G CA 0.398 45.535 45.100 0.062 0.000 0.625 38 G HN 0.433 nan 8.290 nan 0.000 0.536 39 I N 2.748 123.383 120.570 0.108 0.000 2.416 39 I HA 0.329 4.499 4.170 0.001 0.000 0.288 39 I C 1.483 177.654 176.117 0.090 0.000 1.051 39 I CA 0.120 61.414 61.300 -0.010 0.000 1.375 39 I CB 1.186 39.032 38.000 -0.257 0.000 1.407 39 I HN 0.403 nan 8.210 nan 0.000 0.516 40 S N 6.096 121.796 115.700 0.001 0.000 2.580 40 S HA 0.009 4.480 4.470 0.001 0.000 0.266 40 S C 1.120 175.797 174.600 0.127 0.000 1.354 40 S CA -0.430 57.798 58.200 0.048 0.000 1.008 40 S CB 0.905 64.102 63.200 -0.004 0.000 0.898 40 S HN 0.820 nan 8.310 nan 0.000 0.555 41 M N 0.444 120.092 119.600 0.081 0.000 2.117 41 M HA -0.137 4.343 4.480 0.001 0.000 0.262 41 M C 2.263 178.605 176.300 0.071 0.000 1.065 41 M CA 2.182 57.516 55.300 0.057 0.000 1.114 41 M CB -0.477 32.092 32.600 -0.051 0.000 1.361 41 M HN 1.014 nan 8.290 nan 0.000 0.408 42 E N -0.149 120.069 120.200 0.030 0.000 2.085 42 E HA -0.215 4.136 4.350 0.001 0.000 0.194 42 E C 1.747 178.351 176.600 0.007 0.000 0.994 42 E CA 1.405 57.817 56.400 0.020 0.000 0.801 42 E CB -0.084 29.618 29.700 0.003 0.000 0.743 42 E HN 0.642 nan 8.360 nan 0.000 0.453 43 A N -0.055 122.739 122.820 -0.043 0.000 1.968 43 A HA -0.134 4.186 4.320 0.001 0.000 0.217 43 A C 1.675 179.166 177.584 -0.156 0.000 1.169 43 A CA 0.910 52.862 52.037 -0.141 0.000 0.638 43 A CB -0.945 17.903 19.000 -0.253 0.000 0.812 43 A HN 0.501 nan 8.150 nan 0.000 0.446 44 W N 0.137 121.423 121.300 -0.024 0.000 2.519 44 W HA 0.024 4.684 4.660 0.001 0.000 0.266 44 W C 1.873 178.411 176.519 0.031 0.000 1.253 44 W CA 0.847 58.188 57.345 -0.006 0.000 1.274 44 W CB 0.101 29.516 29.460 -0.075 0.000 1.114 44 W HN 0.401 nan 8.180 nan 0.000 0.596 45 E N 0.220 120.540 120.200 0.201 0.000 2.472 45 E HA -0.135 4.215 4.350 0.001 0.000 0.200 45 E C 1.600 178.287 176.600 0.144 0.000 1.046 45 E CA 0.650 57.142 56.400 0.153 0.000 0.871 45 E CB -0.043 29.714 29.700 0.094 0.000 0.806 45 E HN 0.299 nan 8.360 nan 0.000 0.533 46 K N -0.023 120.447 120.400 0.117 0.000 2.432 46 K HA -0.056 4.265 4.320 0.001 0.000 0.196 46 K C 0.186 176.856 176.600 0.116 0.000 1.038 46 K CA -0.075 56.255 56.287 0.072 0.000 0.986 46 K CB 0.023 32.521 32.500 -0.004 0.000 0.782 46 K HN 0.147 nan 8.250 nan 0.000 0.485 47 Y N 2.356 122.706 120.300 0.082 0.000 2.805 47 Y HA -0.162 4.389 4.550 0.001 0.000 0.331 47 Y C -0.350 175.597 175.900 0.078 0.000 1.241 47 Y CA 0.385 58.548 58.100 0.105 0.000 1.546 47 Y CB 0.287 38.849 38.460 0.170 0.000 1.248 47 Y HN -0.029 nan 8.280 nan 0.000 0.559 48 D N 6.035 126.335 120.400 -0.167 0.000 2.336 48 D HA 0.061 4.701 4.640 0.001 0.000 0.248 48 D C -1.230 174.977 176.300 -0.155 0.000 1.326 48 D CA -0.655 53.323 54.000 -0.037 0.000 0.973 48 D CB 0.428 41.212 40.800 -0.026 0.000 1.255 48 D HN 0.606 nan 8.370 nan 0.000 0.558 49 E N 4.117 124.308 120.200 -0.014 0.000 2.465 49 E HA 0.040 4.391 4.350 0.001 0.000 0.260 49 E C -1.793 174.745 176.600 -0.103 0.000 0.980 49 E CA -0.903 55.479 56.400 -0.031 0.000 0.927 49 E CB 1.327 31.146 29.700 0.199 0.000 0.934 49 E HN 0.261 nan 8.360 nan 0.000 0.459 50 P HA -0.090 nan 4.420 nan 0.000 0.221 50 P C -0.338 176.843 177.300 -0.198 0.000 1.155 50 P CA 0.886 63.792 63.100 -0.324 0.000 0.812 50 P CB 0.095 31.455 31.700 -0.567 0.000 0.801 51 Y N 1.313 121.609 120.300 -0.006 0.000 2.593 51 Y HA 0.391 4.941 4.550 0.001 0.000 0.331 51 Y C 0.864 176.757 175.900 -0.012 0.000 0.986 51 Y CA -1.558 56.531 58.100 -0.019 0.000 1.262 51 Y CB 0.213 38.675 38.460 0.003 0.000 1.098 51 Y HN -0.208 nan 8.280 nan 0.000 0.506 52 K N 3.667 124.087 120.400 0.032 0.000 2.118 52 K HA 0.634 4.955 4.320 0.001 0.000 0.264 52 K C -0.782 175.806 176.600 -0.020 0.000 1.000 52 K CA -0.691 55.545 56.287 -0.085 0.000 0.929 52 K CB 1.644 33.762 32.500 -0.637 0.000 1.021 52 K HN 0.439 nan 8.250 nan 0.000 0.463 53 I N 1.284 121.928 120.570 0.124 0.000 2.842 53 I HA 0.176 4.347 4.170 0.001 0.000 0.297 53 I C -1.015 175.203 176.117 0.168 0.000 1.380 53 I CA -0.259 61.065 61.300 0.040 0.000 1.018 53 I CB 2.302 40.221 38.000 -0.135 0.000 1.311 53 I HN 0.862 nan 8.210 nan 0.000 0.439 54 T N 2.596 117.240 114.554 0.150 0.000 2.942 54 T HA 0.356 4.706 4.350 0.001 0.000 0.289 54 T C 0.908 175.822 174.700 0.358 0.000 1.044 54 T CA -0.408 61.891 62.100 0.332 0.000 1.023 54 T CB 1.616 70.704 68.868 0.368 0.000 1.123 54 T HN 0.575 nan 8.240 nan 0.000 0.512 55 Y N 2.652 123.247 120.300 0.493 0.000 2.040 55 Y HA -0.068 4.483 4.550 0.001 0.000 0.275 55 Y C -0.607 175.487 175.900 0.324 0.000 1.171 55 Y CA 2.407 60.788 58.100 0.469 0.000 1.123 55 Y CB -1.323 37.348 38.460 0.351 0.000 0.963 55 Y HN 0.535 nan 8.280 nan 0.000 0.493 56 P HA -0.200 nan 4.420 nan 0.000 0.216 56 P C 0.826 178.201 177.300 0.124 0.000 1.150 56 P CA 2.284 65.541 63.100 0.263 0.000 0.837 56 P CB -0.115 31.758 31.700 0.289 0.000 0.786 57 E N -1.179 119.101 120.200 0.133 0.000 2.072 57 E HA -0.201 4.149 4.350 0.001 0.000 0.191 57 E C 2.263 178.848 176.600 -0.026 0.000 0.985 57 E CA 0.833 57.264 56.400 0.052 0.000 0.801 57 E CB -0.697 29.035 29.700 0.053 0.000 0.750 57 E HN 0.267 nan 8.360 nan 0.000 0.452 58 Y N 1.874 122.062 120.300 -0.187 0.000 2.070 58 Y HA -0.289 4.262 4.550 0.001 0.000 0.280 58 Y C 2.447 178.236 175.900 -0.185 0.000 1.148 58 Y CA 1.932 59.875 58.100 -0.261 0.000 1.125 58 Y CB -0.419 37.793 38.460 -0.413 0.000 0.975 58 Y HN -0.030 nan 8.280 nan 0.000 0.492 59 V N -2.121 117.743 119.914 -0.084 0.000 2.407 59 V HA -0.224 3.897 4.120 0.001 0.000 0.248 59 V C 2.315 178.340 176.094 -0.115 0.000 1.055 59 V CA 2.187 64.417 62.300 -0.117 0.000 1.049 59 V CB -1.456 30.290 31.823 -0.130 0.000 0.662 59 V HN 0.477 nan 8.190 nan 0.000 0.455 60 S N 0.588 116.239 115.700 -0.082 0.000 2.345 60 S HA -0.129 4.341 4.470 0.001 0.000 0.220 60 S C 1.841 176.387 174.600 -0.090 0.000 1.031 60 S CA 1.938 60.105 58.200 -0.055 0.000 0.996 60 S CB -0.482 62.707 63.200 -0.018 0.000 0.882 60 S HN 0.515 nan 8.310 nan 0.000 0.445 61 I N 2.093 122.583 120.570 -0.132 0.000 2.226 61 I HA -0.098 4.073 4.170 0.001 0.000 0.245 61 I C 2.657 178.663 176.117 -0.186 0.000 1.100 61 I CA 1.285 62.496 61.300 -0.149 0.000 1.374 61 I CB -0.611 37.287 38.000 -0.170 0.000 1.057 61 I HN 0.307 nan 8.210 nan 0.000 0.413 62 Q N -0.210 119.404 119.800 -0.310 0.000 2.230 62 Q HA -0.141 4.200 4.340 0.001 0.000 0.202 62 Q C 2.339 178.258 176.000 -0.135 0.000 0.963 62 Q CA 0.933 56.562 55.803 -0.291 0.000 0.866 62 Q CB -0.501 27.912 28.738 -0.543 0.000 0.931 62 Q HN 0.527 nan 8.270 nan 0.000 0.452 63 R N 0.900 121.331 120.500 -0.114 0.000 2.081 63 R HA -0.134 4.207 4.340 0.001 0.000 0.235 63 R C 1.607 177.888 176.300 -0.032 0.000 1.131 63 R CA 1.177 57.242 56.100 -0.057 0.000 0.960 63 R CB 0.187 30.460 30.300 -0.045 0.000 0.856 63 R HN 0.061 nan 8.270 nan 0.000 0.436 64 E N 0.883 121.060 120.200 -0.037 0.000 2.150 64 E HA -0.143 4.208 4.350 0.001 0.000 0.193 64 E C 1.865 178.468 176.600 0.006 0.000 0.985 64 E CA 1.061 57.452 56.400 -0.014 0.000 0.814 64 E CB -0.010 29.676 29.700 -0.023 0.000 0.752 64 E HN 0.428 nan 8.360 nan 0.000 0.466 65 K N 0.673 121.068 120.400 -0.007 0.000 2.026 65 K HA -0.139 4.182 4.320 0.001 0.000 0.208 65 K C 1.788 178.441 176.600 0.088 0.000 1.048 65 K CA 1.306 57.606 56.287 0.021 0.000 0.929 65 K CB -0.027 32.472 32.500 -0.002 0.000 0.713 65 K HN 0.004 nan 8.250 nan 0.000 0.439 66 D N 0.357 120.826 120.400 0.115 0.000 2.144 66 D HA -0.062 4.578 4.640 0.001 0.000 0.200 66 D C 1.990 178.455 176.300 0.276 0.000 0.978 66 D CA 0.900 55.060 54.000 0.266 0.000 0.833 66 D CB -0.107 40.797 40.800 0.174 0.000 0.961 66 D HN -0.027 nan 8.370 nan 0.000 0.470 67 S N 0.005 115.776 115.700 0.119 0.000 2.374 67 S HA -0.145 4.326 4.470 0.001 0.000 0.227 67 S C 2.035 176.718 174.600 0.137 0.000 1.037 67 S CA 1.397 59.655 58.200 0.097 0.000 1.024 67 S CB -0.606 62.619 63.200 0.042 0.000 0.861 67 S HN 0.419 nan 8.310 nan 0.000 0.456 68 G N 1.162 110.031 108.800 0.115 0.000 2.414 68 G HA2 -0.032 3.928 3.960 0.001 0.000 0.215 68 G HA3 -0.032 3.928 3.960 0.001 0.000 0.215 68 G C 1.598 176.583 174.900 0.142 0.000 1.188 68 G CA 0.901 46.062 45.100 0.101 0.000 0.783 68 G HN 0.584 nan 8.290 nan 0.000 0.537 69 A N 0.002 122.927 122.820 0.175 0.000 1.902 69 A HA 0.013 4.333 4.320 0.001 0.000 0.217 69 A C 2.248 179.996 177.584 0.273 0.000 1.181 69 A CA 1.514 53.667 52.037 0.192 0.000 0.623 69 A CB -0.668 18.398 19.000 0.109 0.000 0.818 69 A HN 0.439 nan 8.150 nan 0.000 0.443 70 Y N 0.045 120.489 120.300 0.241 0.000 2.373 70 Y HA -0.094 4.457 4.550 0.001 0.000 0.293 70 Y C 2.979 178.940 175.900 0.102 0.000 1.129 70 Y CA 1.284 59.499 58.100 0.191 0.000 1.226 70 Y CB -0.077 38.448 38.460 0.107 0.000 1.000 70 Y HN 0.275 nan 8.280 nan 0.000 0.549 71 S N -0.241 115.594 115.700 0.225 0.000 2.371 71 S HA -0.114 4.356 4.470 0.001 0.000 0.224 71 S C 1.919 176.576 174.600 0.095 0.000 1.029 71 S CA 0.926 59.205 58.200 0.132 0.000 0.978 71 S CB -0.204 63.056 63.200 0.099 0.000 0.833 71 S HN 0.265 nan 8.310 nan 0.000 0.466 72 I N 2.094 122.727 120.570 0.104 0.000 2.179 72 I HA -0.149 4.021 4.170 0.001 0.000 0.242 72 I C 2.369 178.523 176.117 0.062 0.000 1.088 72 I CA 1.413 62.763 61.300 0.083 0.000 1.357 72 I CB -1.271 36.794 38.000 0.108 0.000 1.051 72 I HN 0.318 nan 8.210 nan 0.000 0.409 73 K N 1.367 121.789 120.400 0.038 0.000 2.009 73 K HA -0.196 4.125 4.320 0.001 0.000 0.210 73 K C 2.198 178.760 176.600 -0.063 0.000 1.049 73 K CA 1.983 58.208 56.287 -0.105 0.000 0.929 73 K CB -0.090 32.129 32.500 -0.468 0.000 0.714 73 K HN 0.241 nan 8.250 nan 0.000 0.440 74 A N 0.781 123.598 122.820 -0.004 0.000 1.933 74 A HA -0.059 4.261 4.320 0.001 0.000 0.218 74 A C 2.273 179.867 177.584 0.017 0.000 1.175 74 A CA 1.778 53.826 52.037 0.018 0.000 0.628 74 A CB -0.684 18.352 19.000 0.061 0.000 0.814 74 A HN 0.522 nan 8.150 nan 0.000 0.444 75 A N -0.714 122.121 122.820 0.025 0.000 2.014 75 A HA 0.169 4.490 4.320 0.001 0.000 0.218 75 A C 1.836 179.433 177.584 0.022 0.000 1.163 75 A CA 1.221 53.272 52.037 0.023 0.000 0.652 75 A CB -0.325 18.690 19.000 0.025 0.000 0.808 75 A HN 0.462 nan 8.150 nan 0.000 0.449 76 L N -1.423 119.815 121.223 0.025 0.000 2.693 76 L HA 0.148 4.488 4.340 0.001 0.000 0.235 76 L C 1.968 178.858 176.870 0.033 0.000 1.127 76 L CA 0.420 55.283 54.840 0.039 0.000 0.914 76 L CB -0.053 42.042 42.059 0.059 0.000 1.193 76 L HN 0.459 nan 8.230 nan 0.000 0.502 77 E N 1.454 121.656 120.200 0.002 0.000 2.058 77 E HA -0.194 4.156 4.350 0.001 0.000 0.194 77 E C 1.986 178.582 176.600 -0.007 0.000 0.997 77 E CA 1.388 57.775 56.400 -0.021 0.000 0.801 77 E CB 0.188 29.857 29.700 -0.052 0.000 0.746 77 E HN 0.309 nan 8.360 nan 0.000 0.450 78 R N 0.250 120.751 120.500 0.001 0.000 2.323 78 R HA -0.051 4.290 4.340 0.001 0.000 0.198 78 R C 1.085 177.399 176.300 0.022 0.000 0.988 78 R CA 0.904 57.007 56.100 0.004 0.000 1.041 78 R CB -0.052 30.250 30.300 0.003 0.000 0.926 78 R HN 0.257 nan 8.270 nan 0.000 0.476 79 D N 0.206 120.632 120.400 0.043 0.000 2.323 79 D HA -0.026 4.614 4.640 0.001 0.000 0.209 79 D C 0.918 177.270 176.300 0.087 0.000 0.973 79 D CA 0.802 54.843 54.000 0.070 0.000 0.874 79 D CB 0.124 40.981 40.800 0.095 0.000 0.930 79 D HN 0.249 nan 8.370 nan 0.000 0.521 80 G N 0.470 109.313 108.800 0.072 0.000 2.366 80 G HA2 -0.361 3.600 3.960 0.001 0.000 0.299 80 G HA3 -0.361 3.600 3.960 0.001 0.000 0.299 80 G C 0.566 175.523 174.900 0.095 0.000 1.020 80 G CA 0.493 45.627 45.100 0.058 0.000 1.026 80 G HN 0.416 nan 8.290 nan 0.000 0.512 81 F N 0.152 120.119 119.950 0.029 0.000 2.126 81 F HA -0.057 4.470 4.527 0.001 0.000 0.299 81 F C 2.405 178.249 175.800 0.073 0.000 1.096 81 F CA 2.163 60.192 58.000 0.049 0.000 1.255 81 F CB -0.286 38.750 39.000 0.060 0.000 0.997 81 F HN 0.237 nan 8.300 nan 0.000 0.479 82 V N 0.649 120.583 119.914 0.033 0.000 2.688 82 V HA -0.273 3.847 4.120 0.001 0.000 0.256 82 V C 1.622 177.666 176.094 -0.084 0.000 1.084 82 V CA 2.609 64.897 62.300 -0.020 0.000 1.103 82 V CB -0.659 31.192 31.823 0.045 0.000 0.688 82 V HN 0.377 nan 8.190 nan 0.000 0.480 83 D N 0.192 120.540 120.400 -0.086 0.000 2.347 83 D HA -0.042 4.598 4.640 0.001 0.000 0.213 83 D C 1.900 178.137 176.300 -0.104 0.000 0.985 83 D CA 0.979 54.942 54.000 -0.062 0.000 0.879 83 D CB 0.032 40.813 40.800 -0.033 0.000 0.919 83 D HN 0.712 nan 8.370 nan 0.000 0.526 84 R N -0.321 120.052 120.500 -0.211 0.000 2.549 84 R HA 0.504 4.845 4.340 0.001 0.000 0.344 84 R C 0.474 176.577 176.300 -0.328 0.000 0.979 84 R CA -0.344 55.634 56.100 -0.204 0.000 1.140 84 R CB 0.495 30.715 30.300 -0.134 0.000 1.377 84 R HN -0.140 nan 8.270 nan 0.000 0.541 85 A N 1.310 123.829 122.820 -0.501 0.000 2.366 85 A HA 0.115 4.436 4.320 0.001 0.000 0.249 85 A C -0.278 177.237 177.584 -0.116 0.000 1.084 85 A CA -0.331 51.421 52.037 -0.476 0.000 0.794 85 A CB 0.283 19.024 19.000 -0.431 0.000 1.034 85 A HN 0.378 nan 8.150 nan 0.000 0.491 86 D N 0.709 121.118 120.400 0.014 0.000 2.443 86 D HA 0.094 4.734 4.640 0.001 0.000 0.239 86 D C -1.570 174.750 176.300 0.033 0.000 1.136 86 D CA -1.197 52.841 54.000 0.063 0.000 0.879 86 D CB 1.012 41.896 40.800 0.140 0.000 1.195 86 D HN 0.101 nan 8.370 nan 0.000 0.443 87 P HA -0.072 nan 4.420 nan 0.000 0.216 87 P C 1.220 178.425 177.300 -0.158 0.000 1.150 87 P CA 1.275 64.240 63.100 -0.224 0.000 0.837 87 P CB 0.106 31.508 31.700 -0.497 0.000 0.786 88 G N -1.362 107.382 108.800 -0.094 0.000 2.408 88 G HA2 -0.247 3.713 3.960 0.001 0.000 0.217 88 G HA3 -0.247 3.713 3.960 0.001 0.000 0.217 88 G C 1.500 176.499 174.900 0.166 0.000 1.150 88 G CA 0.190 45.323 45.100 0.054 0.000 0.776 88 G HN 0.306 nan 8.290 nan 0.000 0.542 89 W N 0.973 122.271 121.300 -0.004 0.000 2.409 89 W HA -0.111 4.549 4.660 0.001 0.000 0.299 89 W C 2.108 178.602 176.519 -0.042 0.000 1.203 89 W CA 1.196 58.525 57.345 -0.027 0.000 1.298 89 W CB -0.148 29.308 29.460 -0.006 0.000 1.127 89 W HN 0.092 nan 8.180 nan 0.000 0.528 90 V N 1.265 121.109 119.914 -0.117 0.000 2.287 90 V HA -0.356 3.765 4.120 0.001 0.000 0.248 90 V C 2.432 178.367 176.094 -0.265 0.000 1.053 90 V CA 2.459 64.666 62.300 -0.155 0.000 1.027 90 V CB -1.359 30.460 31.823 -0.007 0.000 0.646 90 V HN 0.123 nan 8.190 nan 0.000 0.447 91 S N -0.504 115.094 115.700 -0.170 0.000 2.399 91 S HA -0.201 4.269 4.470 0.001 0.000 0.231 91 S C 2.047 176.494 174.600 -0.254 0.000 1.022 91 S CA 1.828 59.962 58.200 -0.111 0.000 0.983 91 S CB -0.426 62.816 63.200 0.071 0.000 0.803 91 S HN 0.703 nan 8.310 nan 0.000 0.480 92 T N 2.367 116.734 114.554 -0.311 0.000 2.746 92 T HA -0.007 4.343 4.350 0.001 0.000 0.267 92 T C 1.806 176.103 174.700 -0.671 0.000 1.039 92 T CA 1.211 63.003 62.100 -0.513 0.000 1.142 92 T CB -0.275 68.249 68.868 -0.574 0.000 0.866 92 T HN 0.347 nan 8.240 nan 0.000 0.444 93 M N 0.697 119.815 119.600 -0.803 0.000 2.156 93 M HA -0.079 4.402 4.480 0.001 0.000 0.264 93 M C 2.567 178.798 176.300 -0.116 0.000 1.067 93 M CA 1.470 56.404 55.300 -0.610 0.000 1.131 93 M CB -0.396 31.913 32.600 -0.485 0.000 1.368 93 M HN 0.261 nan 8.290 nan 0.000 0.416 94 Q N 0.136 119.795 119.800 -0.234 0.000 2.124 94 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 94 Q C 2.072 178.182 176.000 0.183 0.000 0.977 94 Q CA 1.197 56.932 55.803 -0.113 0.000 0.850 94 Q CB -0.347 28.177 28.738 -0.358 0.000 0.901 94 Q HN 0.375 nan 8.270 nan 0.000 0.429 95 L N 0.113 121.192 121.223 -0.240 0.000 1.994 95 L HA -0.198 4.143 4.340 0.001 0.000 0.208 95 L C 2.293 179.074 176.870 -0.149 0.000 1.071 95 L CA 2.293 56.799 54.840 -0.556 0.000 0.745 95 L CB -0.921 40.315 42.059 -1.372 0.000 0.892 95 L HN 0.209 nan 8.230 nan 0.000 0.431 96 H N -0.953 117.932 119.070 -0.308 0.000 2.265 96 H HA -0.246 4.310 4.556 0.001 0.000 0.295 96 H C 1.910 177.194 175.328 -0.074 0.000 1.084 96 H CA 2.765 58.656 56.048 -0.261 0.000 1.261 96 H CB -0.508 28.989 29.762 -0.441 0.000 1.360 96 H HN 0.362 nan 8.280 nan 0.000 0.487 97 F N 0.032 120.072 119.950 0.149 0.000 2.134 97 F HA -0.032 4.496 4.527 0.001 0.000 0.299 97 F C 2.865 178.726 175.800 0.102 0.000 1.097 97 F CA 1.412 59.503 58.000 0.151 0.000 1.264 97 F CB -1.021 38.179 39.000 0.334 0.000 1.001 97 F HN 0.360 nan 8.300 nan 0.000 0.479 98 G N -0.744 108.278 108.800 0.372 0.000 2.402 98 G HA2 -0.128 3.832 3.960 0.001 0.000 0.216 98 G HA3 -0.128 3.832 3.960 0.001 0.000 0.216 98 G C 1.868 176.841 174.900 0.122 0.000 1.162 98 G CA 0.807 45.984 45.100 0.129 0.000 0.777 98 G HN 0.461 nan 8.290 nan 0.000 0.539 99 A N 0.290 123.293 122.820 0.304 0.000 1.929 99 A HA 0.194 4.515 4.320 0.001 0.000 0.216 99 A C 2.257 179.907 177.584 0.110 0.000 1.176 99 A CA 1.133 53.313 52.037 0.239 0.000 0.628 99 A CB -0.103 19.031 19.000 0.223 0.000 0.816 99 A HN 0.283 nan 8.150 nan 0.000 0.444 100 I N -0.790 119.783 120.570 0.005 0.000 2.556 100 I HA 0.032 4.202 4.170 0.001 0.000 0.251 100 I C 2.902 179.012 176.117 -0.011 0.000 1.105 100 I CA 1.026 62.304 61.300 -0.037 0.000 1.436 100 I CB -1.704 36.194 38.000 -0.170 0.000 1.139 100 I HN 0.299 nan 8.210 nan 0.000 0.438 101 A N 1.599 124.452 122.820 0.054 0.000 1.870 101 A HA -0.252 4.068 4.320 0.001 0.000 0.219 101 A C 2.182 179.796 177.584 0.051 0.000 1.224 101 A CA 2.103 54.211 52.037 0.118 0.000 0.650 101 A CB -1.173 17.935 19.000 0.181 0.000 0.836 101 A HN 0.353 nan 8.150 nan 0.000 0.454 102 L N -0.342 120.858 121.223 -0.039 0.000 2.376 102 L HA -0.039 4.301 4.340 0.001 0.000 0.219 102 L C 2.280 179.111 176.870 -0.066 0.000 1.133 102 L CA 1.260 56.058 54.840 -0.070 0.000 0.816 102 L CB -0.434 41.490 42.059 -0.224 0.000 0.933 102 L HN 0.364 nan 8.230 nan 0.000 0.449 103 E N -0.436 119.667 120.200 -0.161 0.000 2.158 103 E HA -0.112 4.238 4.350 0.001 0.000 0.191 103 E C 1.937 178.378 176.600 -0.264 0.000 0.982 103 E CA 0.430 56.599 56.400 -0.384 0.000 0.823 103 E CB 0.107 29.279 29.700 -0.880 0.000 0.766 103 E HN 0.487 nan 8.360 nan 0.000 0.468 104 E N 0.410 120.563 120.200 -0.077 0.000 2.058 104 E HA -0.203 4.147 4.350 0.001 0.000 0.194 104 E C 2.029 178.664 176.600 0.058 0.000 0.997 104 E CA 0.902 57.340 56.400 0.063 0.000 0.801 104 E CB -0.411 29.408 29.700 0.198 0.000 0.746 104 E HN 0.297 nan 8.360 nan 0.000 0.450 105 Y N 1.341 121.626 120.300 -0.025 0.000 2.181 105 Y HA -0.209 4.341 4.550 0.001 0.000 0.288 105 Y C 2.285 178.155 175.900 -0.050 0.000 1.146 105 Y CA 1.533 59.618 58.100 -0.025 0.000 1.164 105 Y CB -0.438 38.005 38.460 -0.029 0.000 0.982 105 Y HN 0.010 nan 8.280 nan 0.000 0.515 106 A N 0.333 123.097 122.820 -0.092 0.000 1.972 106 A HA -0.103 4.218 4.320 0.001 0.000 0.219 106 A C 2.381 179.862 177.584 -0.172 0.000 1.169 106 A CA 1.637 53.583 52.037 -0.152 0.000 0.635 106 A CB -1.408 17.534 19.000 -0.097 0.000 0.810 106 A HN 0.584 nan 8.150 nan 0.000 0.446 107 A N 0.387 123.123 122.820 -0.140 0.000 2.070 107 A HA -0.060 4.261 4.320 0.001 0.000 0.220 107 A C 2.392 179.892 177.584 -0.140 0.000 1.159 107 A CA 2.012 53.995 52.037 -0.090 0.000 0.656 107 A CB -0.836 18.151 19.000 -0.022 0.000 0.800 107 A HN 1.010 nan 8.150 nan 0.000 0.453 108 S N -1.448 114.115 115.700 -0.227 0.000 2.447 108 S HA -0.101 4.370 4.470 0.001 0.000 0.233 108 S C 1.690 176.163 174.600 -0.213 0.000 1.006 108 S CA 1.739 59.792 58.200 -0.244 0.000 0.957 108 S CB -0.756 62.244 63.200 -0.332 0.000 0.773 108 S HN 0.427 nan 8.310 nan 0.000 0.507 109 T N 1.934 116.358 114.554 -0.217 0.000 2.978 109 T HA 0.316 4.667 4.350 0.001 0.000 0.262 109 T C 2.155 176.811 174.700 -0.074 0.000 1.063 109 T CA 0.906 62.922 62.100 -0.140 0.000 1.140 109 T CB -0.511 68.281 68.868 -0.126 0.000 0.886 109 T HN 0.599 nan 8.240 nan 0.000 0.470 110 A N 1.658 124.439 122.820 -0.065 0.000 1.898 110 A HA -0.089 4.232 4.320 0.001 0.000 0.216 110 A C 2.288 179.862 177.584 -0.016 0.000 1.181 110 A CA 1.142 53.167 52.037 -0.020 0.000 0.620 110 A CB -0.302 18.700 19.000 0.004 0.000 0.819 110 A HN 0.297 nan 8.150 nan 0.000 0.442 111 E N -0.036 120.134 120.200 -0.050 0.000 2.072 111 E HA -0.123 4.227 4.350 0.001 0.000 0.191 111 E C 2.355 178.922 176.600 -0.055 0.000 0.985 111 E CA 1.186 57.553 56.400 -0.054 0.000 0.801 111 E CB -0.557 29.079 29.700 -0.105 0.000 0.750 111 E HN 0.560 nan 8.360 nan 0.000 0.452 112 A N 1.431 124.207 122.820 -0.073 0.000 1.978 112 A HA -0.222 4.099 4.320 0.001 0.000 0.220 112 A C 2.176 179.736 177.584 -0.040 0.000 1.170 112 A CA 1.795 53.786 52.037 -0.076 0.000 0.636 112 A CB -0.423 18.526 19.000 -0.084 0.000 0.810 112 A HN 0.058 nan 8.150 nan 0.000 0.448 113 R N -0.468 120.041 120.500 0.016 0.000 2.081 113 R HA -0.031 4.309 4.340 0.001 0.000 0.235 113 R C 2.103 178.475 176.300 0.120 0.000 1.131 113 R CA 2.163 58.337 56.100 0.124 0.000 0.960 113 R CB -0.443 29.915 30.300 0.098 0.000 0.856 113 R HN 0.583 nan 8.270 nan 0.000 0.436 114 M N -0.851 118.770 119.600 0.035 0.000 2.200 114 M HA 0.008 4.488 4.480 0.001 0.000 0.265 114 M C 2.255 178.525 176.300 -0.050 0.000 1.066 114 M CA 1.509 56.809 55.300 -0.001 0.000 1.127 114 M CB -0.201 32.391 32.600 -0.014 0.000 1.379 114 M HN 0.291 nan 8.290 nan 0.000 0.420 115 A N 0.446 123.221 122.820 -0.075 0.000 1.978 115 A HA -0.201 4.119 4.320 0.001 0.000 0.220 115 A C 2.156 179.650 177.584 -0.150 0.000 1.170 115 A CA 1.961 53.930 52.037 -0.113 0.000 0.636 115 A CB -0.477 18.447 19.000 -0.127 0.000 0.810 115 A HN 0.378 nan 8.150 nan 0.000 0.448 116 R N -1.597 118.768 120.500 -0.225 0.000 2.075 116 R HA 0.173 4.514 4.340 0.001 0.000 0.220 116 R C 1.126 177.193 176.300 -0.388 0.000 1.118 116 R CA 1.443 57.273 56.100 -0.450 0.000 0.986 116 R CB -0.630 29.188 30.300 -0.803 0.000 0.884 116 R HN 0.389 nan 8.270 nan 0.000 0.439 117 F N 0.592 120.551 119.950 0.014 0.000 2.731 117 F HA 0.508 5.035 4.527 0.001 0.000 0.298 117 F C 0.785 176.624 175.800 0.066 0.000 1.106 117 F CA -0.074 57.988 58.000 0.103 0.000 1.329 117 F CB -0.282 38.729 39.000 0.019 0.000 1.100 117 F HN 0.020 nan 8.300 nan 0.000 0.592 118 A N 0.773 123.622 122.820 0.048 0.000 2.511 118 A HA 0.082 4.402 4.320 0.001 0.000 0.242 118 A C 1.414 178.801 177.584 -0.328 0.000 1.069 118 A CA -0.129 51.779 52.037 -0.215 0.000 0.763 118 A CB 0.252 19.096 19.000 -0.259 0.000 1.001 118 A HN 0.375 nan 8.150 nan 0.000 0.498 119 K N 1.456 121.473 120.400 -0.639 0.000 2.418 119 K HA 0.080 4.401 4.320 0.001 0.000 0.195 119 K C 0.723 177.099 176.600 -0.372 0.000 1.035 119 K CA 0.820 56.671 56.287 -0.727 0.000 1.003 119 K CB 0.089 32.096 32.500 -0.823 0.000 0.793 119 K HN 0.748 nan 8.250 nan 0.000 0.494 120 A N 2.231 124.852 122.820 -0.331 0.000 2.350 120 A HA 0.224 4.545 4.320 0.001 0.000 0.293 120 A C -2.000 175.458 177.584 -0.209 0.000 1.231 120 A CA -1.440 50.492 52.037 -0.174 0.000 0.883 120 A CB 0.404 19.232 19.000 -0.287 0.000 1.133 120 A HN -0.059 nan 8.150 nan 0.000 0.533 121 P HA -0.189 nan 4.420 nan 0.000 0.215 121 P C 1.751 179.026 177.300 -0.041 0.000 1.157 121 P CA 2.079 65.159 63.100 -0.032 0.000 0.874 121 P CB 0.199 31.918 31.700 0.030 0.000 0.790 122 G N -0.798 108.009 108.800 0.012 0.000 2.448 122 G HA2 -0.286 3.674 3.960 0.001 0.000 0.219 122 G HA3 -0.286 3.674 3.960 0.001 0.000 0.219 122 G C 1.698 176.593 174.900 -0.008 0.000 1.127 122 G CA 0.663 45.829 45.100 0.109 0.000 0.766 122 G HN 0.255 nan 8.290 nan 0.000 0.552 123 N N 0.843 119.291 118.700 -0.420 0.000 2.171 123 N HA -0.033 4.708 4.740 0.001 0.000 0.184 123 N C 2.309 177.705 175.510 -0.190 0.000 1.021 123 N CA 0.657 53.405 53.050 -0.504 0.000 0.854 123 N CB -0.297 37.645 38.487 -0.908 0.000 0.994 123 N HN 0.283 nan 8.380 nan 0.000 0.426 124 R N 0.025 120.423 120.500 -0.170 0.000 2.096 124 R HA -0.010 4.330 4.340 0.001 0.000 0.235 124 R C 1.441 177.681 176.300 -0.099 0.000 1.127 124 R CA 1.213 57.246 56.100 -0.112 0.000 0.968 124 R CB -0.247 30.002 30.300 -0.085 0.000 0.861 124 R HN 0.302 nan 8.270 nan 0.000 0.440 125 N N 0.149 118.805 118.700 -0.073 0.000 2.171 125 N HA -0.053 4.688 4.740 0.001 0.000 0.184 125 N C 1.678 177.157 175.510 -0.052 0.000 1.021 125 N CA 1.056 54.041 53.050 -0.107 0.000 0.854 125 N CB -0.066 38.394 38.487 -0.044 0.000 0.994 125 N HN 0.073 nan 8.380 nan 0.000 0.426 126 M N 0.509 120.182 119.600 0.121 0.000 2.296 126 M HA 0.069 4.549 4.480 0.001 0.000 0.265 126 M C 1.860 178.262 176.300 0.170 0.000 1.064 126 M CA 0.609 56.069 55.300 0.266 0.000 1.109 126 M CB -1.104 31.676 32.600 0.300 0.000 1.396 126 M HN 0.103 nan 8.290 nan 0.000 0.430 127 A N -0.645 122.204 122.820 0.048 0.000 2.066 127 A HA -0.058 4.263 4.320 0.001 0.000 0.218 127 A C 2.250 179.792 177.584 -0.070 0.000 1.157 127 A CA 1.608 53.648 52.037 0.005 0.000 0.670 127 A CB -0.788 18.195 19.000 -0.028 0.000 0.804 127 A HN 0.444 nan 8.150 nan 0.000 0.453 128 T N -0.560 113.898 114.554 -0.161 0.000 2.857 128 T HA -0.040 4.311 4.350 0.001 0.000 0.266 128 T C 1.389 175.911 174.700 -0.297 0.000 1.048 128 T CA 1.284 63.220 62.100 -0.272 0.000 1.139 128 T CB -0.360 68.266 68.868 -0.403 0.000 0.874 128 T HN 0.411 nan 8.240 nan 0.000 0.455 129 F N 1.513 121.384 119.950 -0.132 0.000 2.206 129 F HA 0.204 4.731 4.527 0.001 0.000 0.298 129 F C 2.601 178.347 175.800 -0.089 0.000 1.090 129 F CA 0.316 58.165 58.000 -0.251 0.000 1.323 129 F CB -1.132 37.760 39.000 -0.181 0.000 1.028 129 F HN 0.206 nan 8.300 nan 0.000 0.492 130 G N -0.381 108.504 108.800 0.143 0.000 2.408 130 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 130 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 130 G C 1.745 176.549 174.900 -0.159 0.000 1.150 130 G CA 0.750 45.841 45.100 -0.016 0.000 0.776 130 G HN 0.330 nan 8.290 nan 0.000 0.542 131 M N -0.139 119.393 119.600 -0.112 0.000 2.080 131 M HA -0.050 4.431 4.480 0.001 0.000 0.260 131 M C 2.451 178.693 176.300 -0.096 0.000 1.068 131 M CA 1.491 56.714 55.300 -0.129 0.000 1.109 131 M CB -0.184 32.344 32.600 -0.121 0.000 1.342 131 M HN 0.119 nan 8.290 nan 0.000 0.405 132 M N 0.479 120.051 119.600 -0.047 0.000 2.159 132 M HA -0.188 4.292 4.480 0.001 0.000 0.263 132 M C 1.525 177.872 176.300 0.078 0.000 1.063 132 M CA 1.590 56.914 55.300 0.039 0.000 1.110 132 M CB -1.487 31.147 32.600 0.056 0.000 1.374 132 M HN 0.288 nan 8.290 nan 0.000 0.411 133 D N 0.398 120.832 120.400 0.056 0.000 2.097 133 D HA -0.148 4.492 4.640 0.001 0.000 0.195 133 D C 1.952 177.955 176.300 -0.495 0.000 0.989 133 D CA 1.110 55.052 54.000 -0.097 0.000 0.827 133 D CB -0.180 40.646 40.800 0.043 0.000 0.966 133 D HN 0.350 nan 8.370 nan 0.000 0.456 134 E N 0.608 120.597 120.200 -0.353 0.000 2.208 134 E HA -0.106 4.244 4.350 0.001 0.000 0.193 134 E C 1.801 178.373 176.600 -0.047 0.000 0.988 134 E CA 0.115 56.374 56.400 -0.235 0.000 0.828 134 E CB -0.360 29.236 29.700 -0.173 0.000 0.763 134 E HN 0.406 nan 8.360 nan 0.000 0.478 135 N N 1.741 120.425 118.700 -0.027 0.000 2.084 135 N HA -0.197 4.543 4.740 0.001 0.000 0.190 135 N C 1.974 177.580 175.510 0.161 0.000 1.030 135 N CA 0.934 54.046 53.050 0.104 0.000 0.849 135 N CB -0.001 38.537 38.487 0.086 0.000 1.012 135 N HN 0.106 nan 8.380 nan 0.000 0.423 136 R N 0.022 120.589 120.500 0.113 0.000 2.073 136 R HA -0.135 4.206 4.340 0.001 0.000 0.234 136 R C 2.051 178.527 176.300 0.292 0.000 1.134 136 R CA 1.603 57.815 56.100 0.187 0.000 0.952 136 R CB -0.514 29.896 30.300 0.183 0.000 0.850 136 R HN 0.535 nan 8.270 nan 0.000 0.433 137 H N -1.687 117.482 119.070 0.166 0.000 2.387 137 H HA -0.067 4.489 4.556 0.001 0.000 0.299 137 H C 2.000 177.438 175.328 0.183 0.000 1.090 137 H CA 0.609 56.758 56.048 0.168 0.000 1.332 137 H CB -0.042 29.825 29.762 0.175 0.000 1.386 137 H HN 0.472 nan 8.280 nan 0.000 0.516 138 G N 0.413 109.404 108.800 0.319 0.000 2.394 138 G HA2 -0.213 3.748 3.960 0.001 0.000 0.215 138 G HA3 -0.213 3.748 3.960 0.001 0.000 0.215 138 G C 1.487 176.525 174.900 0.229 0.000 1.165 138 G CA 0.345 45.610 45.100 0.276 0.000 0.784 138 G HN 0.393 nan 8.290 nan 0.000 0.535 139 Q N -0.434 119.505 119.800 0.232 0.000 2.046 139 Q HA 0.096 4.437 4.340 0.001 0.000 0.200 139 Q C 2.474 178.639 176.000 0.275 0.000 0.975 139 Q CA 0.848 56.778 55.803 0.211 0.000 0.836 139 Q CB -0.123 28.727 28.738 0.187 0.000 0.896 139 Q HN 0.520 nan 8.270 nan 0.000 0.428 140 I N 0.678 121.412 120.570 0.275 0.000 2.493 140 I HA -0.253 3.918 4.170 0.001 0.000 0.254 140 I C 1.545 177.790 176.117 0.214 0.000 1.160 140 I CA 1.116 62.566 61.300 0.249 0.000 1.445 140 I CB 0.169 38.212 38.000 0.072 0.000 1.086 140 I HN 0.234 nan 8.210 nan 0.000 0.433 141 Q N -0.045 119.900 119.800 0.242 0.000 2.444 141 Q HA 0.049 4.390 4.340 0.001 0.000 0.206 141 Q C 1.766 177.934 176.000 0.279 0.000 0.948 141 Q CA 0.376 56.393 55.803 0.356 0.000 0.946 141 Q CB 0.529 29.529 28.738 0.436 0.000 1.027 141 Q HN 0.557 nan 8.270 nan 0.000 0.513 142 L N -1.619 119.748 121.223 0.239 0.000 2.362 142 L HA -0.013 4.327 4.340 0.001 0.000 0.204 142 L C 1.919 178.904 176.870 0.192 0.000 1.060 142 L CA 0.373 55.322 54.840 0.182 0.000 0.827 142 L CB -0.178 41.982 42.059 0.168 0.000 1.027 142 L HN 0.194 nan 8.230 nan 0.000 0.474 143 Y N 0.300 120.706 120.300 0.178 0.000 2.181 143 Y HA -0.290 4.261 4.550 0.001 0.000 0.288 143 Y C 2.311 178.349 175.900 0.229 0.000 1.146 143 Y CA 1.721 59.951 58.100 0.217 0.000 1.164 143 Y CB -0.161 38.499 38.460 0.333 0.000 0.982 143 Y HN -0.018 nan 8.280 nan 0.000 0.515 144 F N 0.651 120.616 119.950 0.025 0.000 2.113 144 F HA -0.092 4.436 4.527 0.001 0.000 0.297 144 F C -0.259 175.369 175.800 -0.286 0.000 1.103 144 F CA 1.131 59.073 58.000 -0.097 0.000 1.248 144 F CB -2.080 36.941 39.000 0.034 0.000 0.999 144 F HN 0.103 nan 8.300 nan 0.000 0.475 145 P HA -0.196 nan 4.420 nan 0.000 0.225 145 P C 1.514 178.666 177.300 -0.246 0.000 1.156 145 P CA 1.215 64.044 63.100 -0.451 0.000 0.787 145 P CB -0.400 30.906 31.700 -0.656 0.000 0.802 146 Y N 2.028 122.179 120.300 -0.250 0.000 2.315 146 Y HA -0.105 4.446 4.550 0.001 0.000 0.288 146 Y C 2.408 178.141 175.900 -0.279 0.000 1.154 146 Y CA 1.310 59.287 58.100 -0.206 0.000 1.229 146 Y CB -0.978 37.363 38.460 -0.198 0.000 0.980 146 Y HN -0.041 nan 8.280 nan 0.000 0.540 147 A N -0.107 122.511 122.820 -0.336 0.000 2.121 147 A HA -0.141 4.180 4.320 0.001 0.000 0.218 147 A C 1.542 178.856 177.584 -0.450 0.000 1.154 147 A CA 1.564 53.367 52.037 -0.391 0.000 0.679 147 A CB -0.413 18.375 19.000 -0.354 0.000 0.795 147 A HN 0.581 nan 8.150 nan 0.000 0.458 148 N N -0.161 118.184 118.700 -0.593 0.000 2.187 148 N HA 0.047 4.787 4.740 0.001 0.000 0.212 148 N C 1.423 176.659 175.510 -0.457 0.000 1.152 148 N CA 0.888 53.497 53.050 -0.735 0.000 0.872 148 N CB 0.527 38.001 38.487 -1.688 0.000 1.025 148 N HN 0.415 nan 8.380 nan 0.000 0.514 149 V N -0.752 118.977 119.914 -0.310 0.000 2.469 149 V HA -0.142 3.979 4.120 0.001 0.000 0.251 149 V C 1.745 177.809 176.094 -0.049 0.000 1.064 149 V CA 1.382 63.621 62.300 -0.101 0.000 1.066 149 V CB -0.617 31.076 31.823 -0.215 0.000 0.667 149 V HN 0.061 nan 8.190 nan 0.000 0.461 150 K N 0.023 120.347 120.400 -0.125 0.000 2.432 150 K HA 0.094 4.414 4.320 0.001 0.000 0.196 150 K C 2.281 178.875 176.600 -0.010 0.000 1.038 150 K CA 0.654 56.900 56.287 -0.069 0.000 0.986 150 K CB -0.090 32.350 32.500 -0.101 0.000 0.782 150 K HN 0.517 nan 8.250 nan 0.000 0.485 151 R N -0.325 120.186 120.500 0.018 0.000 2.140 151 R HA 0.096 4.437 4.340 0.001 0.000 0.213 151 R C 0.568 176.980 176.300 0.186 0.000 1.059 151 R CA 0.355 56.508 56.100 0.089 0.000 1.000 151 R CB 0.544 30.892 30.300 0.080 0.000 0.910 151 R HN -0.086 nan 8.270 nan 0.000 0.455 152 S N -1.013 114.862 115.700 0.292 0.000 2.556 152 S HA 0.213 4.684 4.470 0.001 0.000 0.280 152 S C -0.437 174.309 174.600 0.243 0.000 1.141 152 S CA -0.806 57.536 58.200 0.237 0.000 0.883 152 S CB 1.712 65.029 63.200 0.196 0.000 1.103 152 S HN 0.054 nan 8.310 nan 0.000 0.453 153 R N 2.545 123.135 120.500 0.151 0.000 2.193 153 R HA 0.151 4.491 4.340 0.001 0.000 0.229 153 R C 1.649 178.080 176.300 0.218 0.000 1.110 153 R CA 1.792 57.998 56.100 0.176 0.000 0.988 153 R CB -0.283 30.103 30.300 0.144 0.000 0.871 153 R HN 0.693 nan 8.270 nan 0.000 0.458 154 K N -1.423 119.030 120.400 0.088 0.000 2.152 154 K HA -0.169 4.151 4.320 0.001 0.000 0.206 154 K C 1.577 178.226 176.600 0.080 0.000 1.048 154 K CA 1.660 57.945 56.287 -0.002 0.000 0.933 154 K CB -0.184 32.207 32.500 -0.181 0.000 0.721 154 K HN 0.300 nan 8.250 nan 0.000 0.447 155 W N 1.205 122.620 121.300 0.191 0.000 2.465 155 W HA -0.120 4.541 4.660 0.001 0.000 0.268 155 W C 1.658 178.278 176.519 0.168 0.000 1.242 155 W CA 0.542 57.984 57.345 0.162 0.000 1.248 155 W CB -0.164 29.335 29.460 0.065 0.000 1.118 155 W HN 0.172 nan 8.180 nan 0.000 0.587 156 D N -1.130 119.498 120.400 0.380 0.000 2.264 156 D HA -0.178 4.462 4.640 0.001 0.000 0.208 156 D C 1.409 177.832 176.300 0.206 0.000 0.966 156 D CA 0.967 55.126 54.000 0.265 0.000 0.864 156 D CB -0.241 40.685 40.800 0.210 0.000 0.933 156 D HN 0.051 nan 8.370 nan 0.000 0.499 157 W N 0.638 121.927 121.300 -0.018 0.000 2.825 157 W HA 0.282 4.943 4.660 0.001 0.000 0.243 157 W C 2.208 178.607 176.519 -0.199 0.000 1.293 157 W CA 0.519 57.726 57.345 -0.231 0.000 1.403 157 W CB -0.504 28.599 29.460 -0.596 0.000 1.134 157 W HN 0.022 nan 8.180 nan 0.000 0.666 158 A N -0.934 121.997 122.820 0.185 0.000 1.972 158 A HA -0.232 4.088 4.320 0.001 0.000 0.219 158 A C 1.956 179.610 177.584 0.116 0.000 1.169 158 A CA 1.902 54.066 52.037 0.212 0.000 0.635 158 A CB -0.750 18.413 19.000 0.271 0.000 0.810 158 A HN 0.441 nan 8.150 nan 0.000 0.446 159 H N -0.765 118.309 119.070 0.007 0.000 2.439 159 H HA 0.123 4.680 4.556 0.001 0.000 0.299 159 H C 2.003 177.269 175.328 -0.103 0.000 1.033 159 H CA 1.503 57.536 56.048 -0.025 0.000 1.348 159 H CB 0.007 29.776 29.762 0.012 0.000 1.449 159 H HN 0.511 nan 8.280 nan 0.000 0.544 160 K N 0.603 120.952 120.400 -0.085 0.000 2.062 160 K HA -0.030 4.290 4.320 0.001 0.000 0.205 160 K C 2.277 178.541 176.600 -0.560 0.000 1.051 160 K CA 0.963 57.050 56.287 -0.334 0.000 0.941 160 K CB -0.079 32.001 32.500 -0.701 0.000 0.719 160 K HN 0.182 nan 8.250 nan 0.000 0.440 161 A N 2.117 124.521 122.820 -0.693 0.000 1.906 161 A HA -0.243 4.078 4.320 0.001 0.000 0.222 161 A C 1.882 179.253 177.584 -0.355 0.000 1.282 161 A CA 2.173 53.838 52.037 -0.620 0.000 0.675 161 A CB -0.901 17.641 19.000 -0.764 0.000 0.838 161 A HN 0.395 nan 8.150 nan 0.000 0.469 162 I N -0.490 119.896 120.570 -0.307 0.000 3.083 162 I HA -0.108 4.063 4.170 0.001 0.000 0.273 162 I C 1.456 177.410 176.117 -0.271 0.000 1.297 162 I CA 1.060 62.217 61.300 -0.239 0.000 1.452 162 I CB -1.608 36.237 38.000 -0.259 0.000 1.078 162 I HN 0.407 nan 8.210 nan 0.000 0.484 163 H N 0.450 119.400 119.070 -0.200 0.000 2.551 163 H HA 0.159 4.716 4.556 0.001 0.000 0.271 163 H C 1.145 176.370 175.328 -0.172 0.000 0.984 163 H CA 0.315 56.265 56.048 -0.164 0.000 1.164 163 H CB 0.504 30.162 29.762 -0.173 0.000 1.437 163 H HN 0.345 nan 8.280 nan 0.000 0.550 164 T N -2.113 112.378 114.554 -0.104 0.000 2.922 164 T HA 0.219 4.570 4.350 0.001 0.000 0.281 164 T C 0.922 175.614 174.700 -0.013 0.000 1.005 164 T CA -0.884 61.159 62.100 -0.096 0.000 0.982 164 T CB 1.734 70.509 68.868 -0.155 0.000 1.158 164 T HN -0.036 nan 8.240 nan 0.000 0.566 165 N N 0.524 119.208 118.700 -0.026 0.000 2.251 165 N HA 0.087 4.827 4.740 0.001 0.000 0.217 165 N C -0.014 175.604 175.510 0.181 0.000 1.124 165 N CA -0.135 52.927 53.050 0.019 0.000 0.843 165 N CB 0.269 38.602 38.487 -0.256 0.000 1.024 165 N HN 0.672 nan 8.380 nan 0.000 0.501 166 E N 1.667 122.010 120.200 0.237 0.000 2.415 166 E HA -0.105 4.245 4.350 0.001 0.000 0.263 166 E C 1.305 178.058 176.600 0.254 0.000 0.995 166 E CA -0.347 56.244 56.400 0.319 0.000 0.915 166 E CB 0.448 30.431 29.700 0.473 0.000 0.951 166 E HN 0.330 nan 8.360 nan 0.000 0.449 167 W N 5.125 126.574 121.300 0.248 0.000 2.290 167 W HA -0.325 4.335 4.660 0.001 0.000 0.311 167 W C 1.147 177.799 176.519 0.223 0.000 1.238 167 W CA 1.369 58.831 57.345 0.195 0.000 1.255 167 W CB -1.211 28.311 29.460 0.103 0.000 1.145 167 W HN 0.532 nan 8.180 nan 0.000 0.506 168 A N 1.807 124.170 122.820 -0.763 0.000 1.933 168 A HA 0.038 4.358 4.320 0.001 0.000 0.218 168 A C 2.394 180.005 177.584 0.046 0.000 1.175 168 A CA 2.995 54.675 52.037 -0.594 0.000 0.628 168 A CB -1.209 17.384 19.000 -0.679 0.000 0.814 168 A HN 0.446 nan 8.150 nan 0.000 0.444 169 A N -0.200 122.743 122.820 0.204 0.000 1.969 169 A HA -0.015 4.306 4.320 0.001 0.000 0.218 169 A C 2.077 179.783 177.584 0.204 0.000 1.169 169 A CA 1.375 53.549 52.037 0.229 0.000 0.635 169 A CB -0.545 18.567 19.000 0.187 0.000 0.810 169 A HN 0.499 nan 8.150 nan 0.000 0.445 170 I N -0.300 120.406 120.570 0.225 0.000 2.252 170 I HA -0.248 3.923 4.170 0.001 0.000 0.245 170 I C 2.932 179.201 176.117 0.254 0.000 1.102 170 I CA 0.974 62.428 61.300 0.256 0.000 1.385 170 I CB -0.301 37.885 38.000 0.310 0.000 1.064 170 I HN 0.347 nan 8.210 nan 0.000 0.414 171 A N 0.782 123.754 122.820 0.252 0.000 1.933 171 A HA -0.138 4.182 4.320 0.001 0.000 0.218 171 A C 2.539 180.233 177.584 0.185 0.000 1.175 171 A CA 1.796 53.965 52.037 0.220 0.000 0.628 171 A CB -0.733 18.405 19.000 0.230 0.000 0.814 171 A HN 0.424 nan 8.150 nan 0.000 0.444 172 A N -0.087 122.858 122.820 0.209 0.000 1.855 172 A HA -0.149 4.172 4.320 0.001 0.000 0.215 172 A C 2.249 180.055 177.584 0.370 0.000 1.191 172 A CA 1.469 53.680 52.037 0.290 0.000 0.613 172 A CB -0.488 18.722 19.000 0.350 0.000 0.829 172 A HN 0.523 nan 8.150 nan 0.000 0.442 173 R N -0.548 120.126 120.500 0.289 0.000 2.120 173 R HA -0.093 4.248 4.340 0.001 0.000 0.234 173 R C 2.601 179.011 176.300 0.184 0.000 1.123 173 R CA 1.286 57.533 56.100 0.245 0.000 0.975 173 R CB -0.416 29.990 30.300 0.176 0.000 0.866 173 R HN 0.580 nan 8.270 nan 0.000 0.446 174 S N 0.613 116.415 115.700 0.169 0.000 2.359 174 S HA -0.200 4.270 4.470 0.001 0.000 0.224 174 S C 1.682 176.335 174.600 0.088 0.000 1.035 174 S CA 1.315 59.578 58.200 0.105 0.000 1.018 174 S CB -0.258 63.013 63.200 0.118 0.000 0.876 174 S HN 0.361 nan 8.310 nan 0.000 0.448 175 F N 1.226 121.131 119.950 -0.076 0.000 2.039 175 F HA 0.037 4.565 4.527 0.001 0.000 0.294 175 F C 1.713 177.364 175.800 -0.249 0.000 1.130 175 F CA 1.620 59.477 58.000 -0.238 0.000 1.189 175 F CB -0.899 37.807 39.000 -0.489 0.000 0.983 175 F HN 0.258 nan 8.300 nan 0.000 0.471 176 F N 1.242 121.075 119.950 -0.195 0.000 2.126 176 F HA -0.188 4.340 4.527 0.001 0.000 0.299 176 F C 2.333 178.000 175.800 -0.221 0.000 1.096 176 F CA 1.762 59.586 58.000 -0.292 0.000 1.255 176 F CB -1.100 37.875 39.000 -0.042 0.000 0.997 176 F HN 0.032 nan 8.300 nan 0.000 0.479 177 D N -0.371 120.062 120.400 0.055 0.000 2.144 177 D HA -0.156 4.484 4.640 0.001 0.000 0.200 177 D C 1.941 178.206 176.300 -0.059 0.000 0.978 177 D CA 1.264 55.271 54.000 0.012 0.000 0.833 177 D CB -0.457 40.364 40.800 0.036 0.000 0.961 177 D HN 0.215 nan 8.370 nan 0.000 0.470 178 D N -0.509 119.831 120.400 -0.101 0.000 2.123 178 D HA -0.090 4.551 4.640 0.001 0.000 0.200 178 D C 1.931 178.140 176.300 -0.153 0.000 0.976 178 D CA 0.813 54.750 54.000 -0.106 0.000 0.831 178 D CB 0.108 40.896 40.800 -0.020 0.000 0.974 178 D HN -0.036 nan 8.370 nan 0.000 0.469 179 M N -0.346 119.073 119.600 -0.301 0.000 2.193 179 M HA 0.013 4.494 4.480 0.001 0.000 0.265 179 M C 2.232 178.457 176.300 -0.125 0.000 1.071 179 M CA 1.153 56.282 55.300 -0.286 0.000 1.140 179 M CB -0.706 31.504 32.600 -0.649 0.000 1.369 179 M HN 0.298 nan 8.290 nan 0.000 0.423 180 M N -3.454 116.091 119.600 -0.093 0.000 2.329 180 M HA 0.212 4.693 4.480 0.001 0.000 0.281 180 M C 1.181 177.476 176.300 -0.009 0.000 1.088 180 M CA 0.235 55.529 55.300 -0.010 0.000 1.108 180 M CB 0.345 32.974 32.600 0.048 0.000 1.657 180 M HN -0.079 nan 8.290 nan 0.000 0.579 181 M N 1.461 121.050 119.600 -0.018 0.000 2.501 181 M HA 0.182 4.663 4.480 0.001 0.000 0.261 181 M C 1.320 177.603 176.300 -0.029 0.000 1.129 181 M CA 1.305 56.596 55.300 -0.016 0.000 1.126 181 M CB -0.584 32.014 32.600 -0.003 0.000 1.359 181 M HN 0.510 nan 8.290 nan 0.000 0.471 182 T N -1.868 112.658 114.554 -0.046 0.000 3.252 182 T HA 0.376 4.726 4.350 0.001 0.000 0.286 182 T C 0.415 175.070 174.700 -0.075 0.000 1.013 182 T CA -0.511 61.552 62.100 -0.063 0.000 0.914 182 T CB 0.690 69.512 68.868 -0.077 0.000 1.131 182 T HN -0.002 nan 8.240 nan 0.000 0.529 183 R N 2.233 122.697 120.500 -0.060 0.000 2.778 183 R HA 0.494 4.835 4.340 0.001 0.000 0.277 183 R C -0.614 175.652 176.300 -0.056 0.000 0.977 183 R CA -0.587 55.480 56.100 -0.056 0.000 0.950 183 R CB 1.200 31.480 30.300 -0.033 0.000 1.165 183 R HN 0.551 nan 8.270 nan 0.000 0.474 184 D N -0.559 119.802 120.400 -0.065 0.000 2.361 184 D HA -0.043 4.597 4.640 0.001 0.000 0.239 184 D C 1.008 177.281 176.300 -0.046 0.000 1.200 184 D CA -0.293 53.658 54.000 -0.082 0.000 0.915 184 D CB 0.591 41.338 40.800 -0.088 0.000 1.170 184 D HN 0.307 nan 8.370 nan 0.000 0.444 185 S N 0.242 115.915 115.700 -0.044 0.000 2.368 185 S HA -0.235 4.235 4.470 0.001 0.000 0.226 185 S C 1.831 176.405 174.600 -0.044 0.000 1.044 185 S CA 1.630 59.816 58.200 -0.024 0.000 1.062 185 S CB -0.529 62.657 63.200 -0.023 0.000 0.931 185 S HN 0.429 nan 8.310 nan 0.000 0.440 186 V N 2.038 121.896 119.914 -0.093 0.000 2.343 186 V HA -0.142 3.979 4.120 0.001 0.000 0.247 186 V C 2.828 178.951 176.094 0.048 0.000 1.051 186 V CA 1.806 64.078 62.300 -0.046 0.000 1.036 186 V CB -1.410 30.378 31.823 -0.059 0.000 0.654 186 V HN 0.636 nan 8.190 nan 0.000 0.451 187 A N -0.202 122.640 122.820 0.036 0.000 1.940 187 A HA -0.164 4.156 4.320 0.001 0.000 0.219 187 A C 2.391 180.025 177.584 0.083 0.000 1.176 187 A CA 2.101 54.175 52.037 0.062 0.000 0.631 187 A CB -0.664 18.353 19.000 0.029 0.000 0.814 187 A HN 0.349 nan 8.150 nan 0.000 0.446 188 V N 0.998 120.950 119.914 0.063 0.000 2.295 188 V HA -0.262 3.858 4.120 0.001 0.000 0.246 188 V C 3.018 179.197 176.094 0.142 0.000 1.049 188 V CA 2.401 64.752 62.300 0.085 0.000 1.024 188 V CB -1.070 30.789 31.823 0.059 0.000 0.648 188 V HN 0.830 nan 8.190 nan 0.000 0.447 189 S N 0.261 116.044 115.700 0.139 0.000 2.383 189 S HA -0.177 4.294 4.470 0.001 0.000 0.229 189 S C 1.913 176.669 174.600 0.260 0.000 1.030 189 S CA 1.612 59.931 58.200 0.198 0.000 1.002 189 S CB -0.461 62.854 63.200 0.192 0.000 0.829 189 S HN 0.406 nan 8.310 nan 0.000 0.467 190 I N 1.968 122.678 120.570 0.233 0.000 2.206 190 I HA 0.020 4.190 4.170 0.001 0.000 0.239 190 I C 2.720 179.062 176.117 0.376 0.000 1.078 190 I CA 1.260 62.731 61.300 0.285 0.000 1.367 190 I CB -1.459 36.662 38.000 0.201 0.000 1.078 190 I HN 0.359 nan 8.210 nan 0.000 0.413 191 M N -0.201 119.566 119.600 0.279 0.000 2.200 191 M HA -0.160 4.320 4.480 0.001 0.000 0.265 191 M C 2.203 178.687 176.300 0.306 0.000 1.066 191 M CA 1.572 57.037 55.300 0.275 0.000 1.127 191 M CB -0.327 32.368 32.600 0.158 0.000 1.379 191 M HN 0.204 nan 8.290 nan 0.000 0.420 192 L N -0.416 120.975 121.223 0.279 0.000 2.115 192 L HA 0.047 4.388 4.340 0.001 0.000 0.200 192 L C 2.265 179.390 176.870 0.425 0.000 1.094 192 L CA 1.903 56.949 54.840 0.344 0.000 0.769 192 L CB -1.037 41.177 42.059 0.257 0.000 0.931 192 L HN 0.061 nan 8.230 nan 0.000 0.455 193 T N -0.119 114.653 114.554 0.364 0.000 2.652 193 T HA -0.194 4.156 4.350 0.001 0.000 0.267 193 T C 1.570 176.494 174.700 0.373 0.000 1.039 193 T CA 2.309 64.627 62.100 0.362 0.000 1.153 193 T CB -0.504 68.563 68.868 0.332 0.000 0.863 193 T HN 0.380 nan 8.240 nan 0.000 0.428 194 F N 1.665 121.775 119.950 0.267 0.000 2.074 194 F HA 0.261 4.789 4.527 0.001 0.000 0.290 194 F C 2.466 178.481 175.800 0.357 0.000 1.118 194 F CA 0.985 59.142 58.000 0.262 0.000 1.199 194 F CB -0.961 38.182 39.000 0.238 0.000 1.012 194 F HN 0.111 nan 8.300 nan 0.000 0.472 195 A N -0.135 122.897 122.820 0.354 0.000 1.858 195 A HA -0.184 4.136 4.320 0.001 0.000 0.216 195 A C 2.141 180.085 177.584 0.600 0.000 1.190 195 A CA 1.897 54.188 52.037 0.423 0.000 0.617 195 A CB -1.509 17.806 19.000 0.525 0.000 0.827 195 A HN 0.540 nan 8.150 nan 0.000 0.443 196 F N 0.290 120.481 119.950 0.402 0.000 2.188 196 F HA 0.092 4.619 4.527 0.001 0.000 0.289 196 F C 2.253 178.266 175.800 0.354 0.000 1.082 196 F CA 1.596 59.858 58.000 0.438 0.000 1.282 196 F CB -0.321 38.948 39.000 0.449 0.000 1.060 196 F HN 0.312 nan 8.300 nan 0.000 0.493 197 E N -0.639 119.673 120.200 0.187 0.000 2.028 197 E HA -0.129 4.221 4.350 0.001 0.000 0.190 197 E C 2.064 178.631 176.600 -0.055 0.000 0.984 197 E CA 1.782 58.181 56.400 -0.001 0.000 0.800 197 E CB -0.376 29.427 29.700 0.171 0.000 0.758 197 E HN 0.297 nan 8.360 nan 0.000 0.448 198 T N 0.151 114.694 114.554 -0.017 0.000 2.737 198 T HA -0.097 4.254 4.350 0.001 0.000 0.265 198 T C 1.886 176.409 174.700 -0.295 0.000 1.038 198 T CA 1.260 63.287 62.100 -0.120 0.000 1.144 198 T CB -0.432 68.379 68.868 -0.096 0.000 0.866 198 T HN 0.339 nan 8.240 nan 0.000 0.434 199 G N -0.925 107.661 108.800 -0.357 0.000 2.464 199 G HA2 0.080 4.040 3.960 0.001 0.000 0.217 199 G HA3 0.080 4.040 3.960 0.001 0.000 0.217 199 G C 0.964 175.447 174.900 -0.694 0.000 1.138 199 G CA 0.274 44.893 45.100 -0.801 0.000 0.793 199 G HN 0.448 nan 8.290 nan 0.000 0.539 200 F N -0.115 119.657 119.950 -0.297 0.000 2.362 200 F HA 0.115 4.643 4.527 0.001 0.000 0.264 200 F C 2.979 178.694 175.800 -0.141 0.000 0.905 200 F CA 0.973 58.773 58.000 -0.334 0.000 1.142 200 F CB -0.427 38.252 39.000 -0.535 0.000 1.250 200 F HN 0.059 nan 8.300 nan 0.000 0.771 201 T N -1.426 113.096 114.554 -0.052 0.000 2.833 201 T HA -0.195 4.156 4.350 0.001 0.000 0.269 201 T C 1.686 176.346 174.700 -0.066 0.000 1.054 201 T CA 1.845 63.931 62.100 -0.025 0.000 1.135 201 T CB -0.731 67.906 68.868 -0.384 0.000 0.869 201 T HN 0.136 nan 8.240 nan 0.000 0.466 202 N N 0.732 119.360 118.700 -0.119 0.000 2.104 202 N HA -0.083 4.657 4.740 0.001 0.000 0.190 202 N C 1.761 177.264 175.510 -0.011 0.000 1.024 202 N CA 1.546 54.535 53.050 -0.102 0.000 0.853 202 N CB -0.415 38.009 38.487 -0.106 0.000 1.008 202 N HN 0.334 nan 8.380 nan 0.000 0.424 203 M N 0.155 119.776 119.600 0.034 0.000 2.287 203 M HA 0.081 4.561 4.480 0.001 0.000 0.266 203 M C 1.952 178.405 176.300 0.255 0.000 1.079 203 M CA 0.991 56.331 55.300 0.066 0.000 1.146 203 M CB -0.445 32.172 32.600 0.027 0.000 1.374 203 M HN 0.204 nan 8.290 nan 0.000 0.435 204 Q N -0.709 119.363 119.800 0.453 0.000 2.061 204 Q HA -0.199 4.142 4.340 0.001 0.000 0.204 204 Q C 1.796 177.989 176.000 0.321 0.000 0.984 204 Q CA 1.784 57.890 55.803 0.505 0.000 0.846 204 Q CB -0.318 28.881 28.738 0.768 0.000 0.902 204 Q HN 0.436 nan 8.270 nan 0.000 0.421 205 F N 0.437 120.422 119.950 0.059 0.000 2.269 205 F HA -0.179 4.349 4.527 0.001 0.000 0.301 205 F C 2.091 177.853 175.800 -0.064 0.000 1.082 205 F CA 0.534 58.520 58.000 -0.024 0.000 1.360 205 F CB -0.427 38.549 39.000 -0.040 0.000 1.041 205 F HN 0.151 nan 8.300 nan 0.000 0.512 206 L N -0.259 121.034 121.223 0.116 0.000 2.056 206 L HA -0.012 4.329 4.340 0.001 0.000 0.207 206 L C 2.618 179.449 176.870 -0.064 0.000 1.078 206 L CA 1.994 56.822 54.840 -0.020 0.000 0.749 206 L CB -1.491 40.505 42.059 -0.105 0.000 0.901 206 L HN 0.128 nan 8.230 nan 0.000 0.433 207 G N -1.170 107.596 108.800 -0.057 0.000 2.403 207 G HA2 -0.230 3.731 3.960 0.001 0.000 0.216 207 G HA3 -0.230 3.731 3.960 0.001 0.000 0.216 207 G C 1.582 176.422 174.900 -0.099 0.000 1.154 207 G CA 0.750 45.786 45.100 -0.107 0.000 0.784 207 G HN 0.334 nan 8.290 nan 0.000 0.538 208 L N 1.495 122.663 121.223 -0.091 0.000 2.017 208 L HA 0.138 4.479 4.340 0.001 0.000 0.208 208 L C 3.009 179.882 176.870 0.004 0.000 1.073 208 L CA 2.168 56.967 54.840 -0.068 0.000 0.745 208 L CB -0.731 41.206 42.059 -0.204 0.000 0.894 208 L HN 0.220 nan 8.230 nan 0.000 0.432 209 A N -0.773 122.014 122.820 -0.055 0.000 1.972 209 A HA -0.044 4.276 4.320 0.001 0.000 0.219 209 A C 2.414 179.973 177.584 -0.042 0.000 1.169 209 A CA 1.607 53.620 52.037 -0.041 0.000 0.635 209 A CB -0.993 17.965 19.000 -0.071 0.000 0.810 209 A HN 0.573 nan 8.150 nan 0.000 0.446 210 A N 0.174 122.958 122.820 -0.061 0.000 1.873 210 A HA -0.146 4.174 4.320 0.001 0.000 0.215 210 A C 1.777 179.297 177.584 -0.107 0.000 1.186 210 A CA 1.686 53.678 52.037 -0.074 0.000 0.616 210 A CB -0.508 18.449 19.000 -0.071 0.000 0.823 210 A HN 0.448 nan 8.150 nan 0.000 0.442 211 D N 0.281 120.618 120.400 -0.106 0.000 2.144 211 D HA -0.071 4.569 4.640 0.001 0.000 0.199 211 D C 2.215 178.270 176.300 -0.408 0.000 0.984 211 D CA 1.468 55.362 54.000 -0.176 0.000 0.834 211 D CB -0.431 40.327 40.800 -0.069 0.000 0.955 211 D HN 0.424 nan 8.370 nan 0.000 0.465 212 A N 1.278 123.906 122.820 -0.320 0.000 1.902 212 A HA -0.073 4.248 4.320 0.001 0.000 0.217 212 A C 2.357 179.651 177.584 -0.483 0.000 1.181 212 A CA 2.283 54.006 52.037 -0.523 0.000 0.623 212 A CB -0.699 18.443 19.000 0.237 0.000 0.818 212 A HN 0.244 nan 8.150 nan 0.000 0.443 213 A N -0.281 122.378 122.820 -0.268 0.000 1.877 213 A HA -0.158 4.163 4.320 0.001 0.000 0.216 213 A C 1.970 179.387 177.584 -0.278 0.000 1.186 213 A CA 2.156 54.056 52.037 -0.229 0.000 0.620 213 A CB -0.546 18.409 19.000 -0.075 0.000 0.822 213 A HN 0.539 nan 8.150 nan 0.000 0.443 214 E N 0.403 120.453 120.200 -0.249 0.000 2.160 214 E HA -0.090 4.260 4.350 0.001 0.000 0.195 214 E C 1.731 178.161 176.600 -0.284 0.000 0.991 214 E CA 1.538 57.809 56.400 -0.217 0.000 0.810 214 E CB -0.410 29.181 29.700 -0.182 0.000 0.742 214 E HN 0.486 nan 8.360 nan 0.000 0.466 215 A N -0.825 121.715 122.820 -0.468 0.000 2.208 215 A HA 0.339 4.660 4.320 0.001 0.000 0.209 215 A C 1.796 179.157 177.584 -0.371 0.000 1.161 215 A CA 0.945 52.684 52.037 -0.496 0.000 0.782 215 A CB -0.555 17.828 19.000 -1.030 0.000 0.816 215 A HN 0.539 nan 8.150 nan 0.000 0.477 216 G N -0.745 107.731 108.800 -0.539 0.000 2.141 216 G HA2 -0.215 3.745 3.960 0.001 0.000 0.242 216 G HA3 -0.215 3.745 3.960 0.001 0.000 0.242 216 G C -0.089 173.914 174.900 -1.495 0.000 0.982 216 G CA 0.278 44.923 45.100 -0.759 0.000 0.662 216 G HN 0.506 nan 8.290 nan 0.000 0.527 217 D N 0.283 119.980 120.400 -1.170 0.000 2.500 217 D HA 0.325 4.966 4.640 0.001 0.000 0.219 217 D C 1.433 177.443 176.300 -0.484 0.000 1.137 217 D CA -0.571 52.906 54.000 -0.872 0.000 0.946 217 D CB -0.013 40.774 40.800 -0.022 0.000 1.022 217 D HN 0.415 nan 8.370 nan 0.000 0.518 218 H N 1.251 120.172 119.070 -0.247 0.000 2.462 218 H HA -0.045 4.512 4.556 0.001 0.000 0.292 218 H C 1.510 176.858 175.328 0.034 0.000 1.049 218 H CA 0.831 56.824 56.048 -0.092 0.000 1.334 218 H CB 0.127 29.823 29.762 -0.111 0.000 1.404 218 H HN 0.327 nan 8.280 nan 0.000 0.544 219 T N 1.273 115.929 114.554 0.170 0.000 2.643 219 T HA -0.156 4.195 4.350 0.001 0.000 0.264 219 T C 1.839 176.757 174.700 0.363 0.000 1.045 219 T CA 1.160 63.418 62.100 0.264 0.000 1.155 219 T CB -0.551 68.468 68.868 0.252 0.000 0.863 219 T HN 0.196 nan 8.240 nan 0.000 0.420 220 F N 1.845 121.945 119.950 0.251 0.000 2.216 220 F HA 0.038 4.565 4.527 0.001 0.000 0.300 220 F C 2.386 178.252 175.800 0.109 0.000 1.085 220 F CA 0.793 58.942 58.000 0.249 0.000 1.326 220 F CB -0.490 38.732 39.000 0.370 0.000 1.027 220 F HN 0.133 nan 8.300 nan 0.000 0.497 221 A N -0.709 122.234 122.820 0.206 0.000 1.877 221 A HA -0.174 4.146 4.320 0.001 0.000 0.216 221 A C 2.365 179.936 177.584 -0.022 0.000 1.186 221 A CA 2.099 54.172 52.037 0.059 0.000 0.620 221 A CB -1.201 17.826 19.000 0.045 0.000 0.822 221 A HN 0.390 nan 8.150 nan 0.000 0.443 222 S N -0.531 115.186 115.700 0.028 0.000 2.383 222 S HA -0.100 4.370 4.470 0.001 0.000 0.227 222 S C 1.843 176.398 174.600 -0.075 0.000 1.026 222 S CA 1.250 59.455 58.200 0.009 0.000 0.981 222 S CB -0.449 62.797 63.200 0.076 0.000 0.818 222 S HN 0.511 nan 8.310 nan 0.000 0.472 223 L N 2.355 123.490 121.223 -0.147 0.000 1.955 223 L HA -0.081 4.260 4.340 0.001 0.000 0.213 223 L C 1.921 178.567 176.870 -0.373 0.000 1.072 223 L CA 1.808 56.418 54.840 -0.384 0.000 0.755 223 L CB -0.727 40.973 42.059 -0.598 0.000 0.888 223 L HN 0.162 nan 8.230 nan 0.000 0.432 224 I N -0.557 119.716 120.570 -0.495 0.000 2.208 224 I HA -0.263 3.908 4.170 0.001 0.000 0.245 224 I C 2.781 178.805 176.117 -0.155 0.000 1.097 224 I CA 1.749 62.796 61.300 -0.423 0.000 1.363 224 I CB -1.750 35.869 38.000 -0.635 0.000 1.051 224 I HN 0.468 nan 8.210 nan 0.000 0.413 225 S N 0.059 115.678 115.700 -0.136 0.000 2.359 225 S HA -0.211 4.259 4.470 0.001 0.000 0.224 225 S C 2.378 176.950 174.600 -0.047 0.000 1.035 225 S CA 2.176 60.338 58.200 -0.064 0.000 1.018 225 S CB -0.245 62.923 63.200 -0.053 0.000 0.876 225 S HN 0.476 nan 8.310 nan 0.000 0.448 226 S N 0.450 116.112 115.700 -0.063 0.000 2.368 226 S HA -0.025 4.445 4.470 0.001 0.000 0.224 226 S C 1.845 176.429 174.600 -0.027 0.000 1.029 226 S CA 1.171 59.347 58.200 -0.039 0.000 0.988 226 S CB -0.460 62.718 63.200 -0.038 0.000 0.838 226 S HN 0.506 nan 8.310 nan 0.000 0.462 227 I N 2.228 122.757 120.570 -0.068 0.000 2.286 227 I HA -0.140 4.030 4.170 0.001 0.000 0.248 227 I C 2.647 178.713 176.117 -0.084 0.000 1.115 227 I CA 1.541 62.754 61.300 -0.145 0.000 1.392 227 I CB -1.778 36.073 38.000 -0.250 0.000 1.065 227 I HN 0.509 nan 8.210 nan 0.000 0.418 228 Q N 1.728 121.532 119.800 0.006 0.000 2.135 228 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 228 Q C 2.013 177.989 176.000 -0.040 0.000 0.981 228 Q CA 3.040 58.840 55.803 -0.004 0.000 0.856 228 Q CB -0.879 27.897 28.738 0.063 0.000 0.902 228 Q HN 0.590 nan 8.270 nan 0.000 0.425 229 T N -2.476 112.062 114.554 -0.026 0.000 3.007 229 T HA -0.098 4.252 4.350 0.001 0.000 0.270 229 T C 1.058 175.742 174.700 -0.026 0.000 1.107 229 T CA 1.166 63.242 62.100 -0.040 0.000 1.118 229 T CB -0.274 68.570 68.868 -0.040 0.000 0.889 229 T HN 0.299 nan 8.240 nan 0.000 0.506 230 D N 0.905 121.332 120.400 0.044 0.000 2.249 230 D HA 0.035 4.676 4.640 0.001 0.000 0.205 230 D C 2.059 178.338 176.300 -0.034 0.000 0.962 230 D CA 0.630 54.696 54.000 0.111 0.000 0.860 230 D CB -0.213 40.805 40.800 0.362 0.000 0.955 230 D HN 0.415 nan 8.370 nan 0.000 0.505 231 E N 1.023 121.160 120.200 -0.105 0.000 2.049 231 E HA -0.163 4.188 4.350 0.001 0.000 0.198 231 E C 2.005 178.388 176.600 -0.363 0.000 1.007 231 E CA 1.404 57.604 56.400 -0.334 0.000 0.809 231 E CB -0.166 29.410 29.700 -0.207 0.000 0.749 231 E HN -0.015 nan 8.360 nan 0.000 0.450 232 S N -0.114 115.486 115.700 -0.167 0.000 2.374 232 S HA -0.242 4.228 4.470 0.001 0.000 0.227 232 S C 1.913 176.547 174.600 0.057 0.000 1.037 232 S CA 1.416 59.585 58.200 -0.053 0.000 1.024 232 S CB -0.393 62.723 63.200 -0.139 0.000 0.861 232 S HN 0.282 nan 8.310 nan 0.000 0.456 233 R N 1.048 121.546 120.500 -0.003 0.000 2.117 233 R HA -0.175 4.165 4.340 0.001 0.000 0.243 233 R C 2.249 178.681 176.300 0.219 0.000 1.143 233 R CA 1.962 58.143 56.100 0.135 0.000 0.968 233 R CB -0.267 30.108 30.300 0.125 0.000 0.863 233 R HN 0.792 nan 8.270 nan 0.000 0.444 234 H N -3.322 115.874 119.070 0.211 0.000 2.750 234 H HA 0.307 4.863 4.556 0.001 0.000 0.263 234 H C 1.400 176.851 175.328 0.205 0.000 0.964 234 H CA 0.388 56.561 56.048 0.208 0.000 1.205 234 H CB 0.229 30.098 29.762 0.179 0.000 1.454 234 H HN 0.241 nan 8.280 nan 0.000 0.503 235 A N 2.098 124.975 122.820 0.095 0.000 2.168 235 A HA -0.165 4.156 4.320 0.001 0.000 0.215 235 A C 2.421 180.140 177.584 0.224 0.000 1.152 235 A CA 0.996 53.143 52.037 0.184 0.000 0.716 235 A CB -0.467 18.568 19.000 0.059 0.000 0.794 235 A HN 0.705 nan 8.150 nan 0.000 0.465 236 Q N -0.449 119.483 119.800 0.220 0.000 2.291 236 Q HA -0.197 4.143 4.340 0.001 0.000 0.205 236 Q C 1.623 177.727 176.000 0.174 0.000 0.970 236 Q CA 1.391 57.291 55.803 0.160 0.000 0.876 236 Q CB -0.494 28.289 28.738 0.075 0.000 0.935 236 Q HN 0.743 nan 8.270 nan 0.000 0.455 237 Q N 0.810 120.767 119.800 0.261 0.000 2.181 237 Q HA -0.132 4.208 4.340 0.001 0.000 0.205 237 Q C 2.168 178.361 176.000 0.321 0.000 0.980 237 Q CA 1.351 57.355 55.803 0.335 0.000 0.862 237 Q CB -0.266 28.670 28.738 0.330 0.000 0.905 237 Q HN 0.657 nan 8.270 nan 0.000 0.429 238 G N 0.628 109.606 108.800 0.296 0.000 2.404 238 G HA2 -0.189 3.772 3.960 0.001 0.000 0.215 238 G HA3 -0.189 3.772 3.960 0.001 0.000 0.215 238 G C 1.340 176.305 174.900 0.108 0.000 1.174 238 G CA 0.666 45.927 45.100 0.268 0.000 0.780 238 G HN 0.460 nan 8.290 nan 0.000 0.537 239 G N 1.981 110.833 108.800 0.086 0.000 2.672 239 G HA2 -0.233 3.727 3.960 0.001 0.000 0.218 239 G HA3 -0.233 3.727 3.960 0.001 0.000 0.218 239 G C 0.113 174.944 174.900 -0.115 0.000 1.238 239 G CA 1.521 46.585 45.100 -0.060 0.000 0.791 239 G HN 0.416 nan 8.290 nan 0.000 0.606 240 P HA -0.058 nan 4.420 nan 0.000 0.216 240 P C 2.284 179.552 177.300 -0.054 0.000 1.150 240 P CA 1.852 64.760 63.100 -0.319 0.000 0.843 240 P CB -0.120 30.981 31.700 -0.997 0.000 0.787 241 S N -0.897 114.907 115.700 0.175 0.000 2.368 241 S HA -0.092 4.379 4.470 0.001 0.000 0.225 241 S C 1.825 176.529 174.600 0.173 0.000 1.030 241 S CA 1.030 59.460 58.200 0.382 0.000 0.999 241 S CB -1.077 62.356 63.200 0.389 0.000 0.844 241 S HN 0.115 nan 8.310 nan 0.000 0.459 242 L N 1.115 122.351 121.223 0.021 0.000 2.046 242 L HA -0.130 4.211 4.340 0.001 0.000 0.208 242 L C 2.431 179.250 176.870 -0.086 0.000 1.077 242 L CA 1.236 56.032 54.840 -0.075 0.000 0.747 242 L CB -0.408 41.500 42.059 -0.251 0.000 0.896 242 L HN 0.254 nan 8.230 nan 0.000 0.432 243 K N -0.192 120.149 120.400 -0.098 0.000 2.097 243 K HA -0.144 4.176 4.320 0.001 0.000 0.206 243 K C 2.050 178.578 176.600 -0.120 0.000 1.049 243 K CA 1.042 57.264 56.287 -0.108 0.000 0.933 243 K CB -0.047 32.384 32.500 -0.115 0.000 0.717 243 K HN 0.176 nan 8.250 nan 0.000 0.442 244 I N 1.470 121.963 120.570 -0.129 0.000 2.179 244 I HA -0.252 3.919 4.170 0.001 0.000 0.242 244 I C 2.276 178.219 176.117 -0.289 0.000 1.088 244 I CA 1.478 62.618 61.300 -0.267 0.000 1.357 244 I CB -0.980 36.748 38.000 -0.452 0.000 1.051 244 I HN 0.186 nan 8.210 nan 0.000 0.409 245 L N -0.112 121.008 121.223 -0.172 0.000 2.046 245 L HA -0.177 4.163 4.340 0.001 0.000 0.208 245 L C 2.657 179.470 176.870 -0.095 0.000 1.077 245 L CA 0.867 55.644 54.840 -0.106 0.000 0.747 245 L CB -0.597 41.467 42.059 0.009 0.000 0.896 245 L HN 0.046 nan 8.230 nan 0.000 0.432 246 V N -0.597 119.264 119.914 -0.089 0.000 2.323 246 V HA -0.197 3.923 4.120 0.001 0.000 0.244 246 V C 2.482 178.522 176.094 -0.089 0.000 1.041 246 V CA 1.428 63.681 62.300 -0.078 0.000 1.025 246 V CB -0.453 31.325 31.823 -0.075 0.000 0.656 246 V HN 0.397 nan 8.190 nan 0.000 0.451 247 E N 0.712 120.846 120.200 -0.110 0.000 2.171 247 E HA -0.149 4.201 4.350 0.001 0.000 0.197 247 E C 0.915 177.447 176.600 -0.113 0.000 0.997 247 E CA 1.007 57.341 56.400 -0.110 0.000 0.810 247 E CB -0.312 29.311 29.700 -0.128 0.000 0.738 247 E HN 0.688 nan 8.360 nan 0.000 0.467 248 N N -0.935 117.683 118.700 -0.136 0.000 2.620 248 N HA 0.304 5.044 4.740 0.001 0.000 0.307 248 N C 0.516 175.975 175.510 -0.086 0.000 1.316 248 N CA 0.178 53.153 53.050 -0.125 0.000 0.931 248 N CB 0.290 38.671 38.487 -0.176 0.000 1.116 248 N HN -0.012 nan 8.380 nan 0.000 0.573 249 G N -0.180 108.578 108.800 -0.069 0.000 3.860 249 G HA2 0.186 4.146 3.960 0.001 0.000 0.269 249 G HA3 0.186 4.146 3.960 0.001 0.000 0.269 249 G C -0.198 174.684 174.900 -0.031 0.000 1.112 249 G CA -0.162 44.911 45.100 -0.045 0.000 1.674 249 G HN 0.195 nan 8.290 nan 0.000 0.628 250 K N 0.737 121.118 120.400 -0.032 0.000 2.761 250 K HA 0.136 4.456 4.320 0.001 0.000 0.196 250 K C 1.145 177.744 176.600 -0.003 0.000 1.134 250 K CA -0.432 55.849 56.287 -0.009 0.000 1.082 250 K CB 0.825 33.327 32.500 0.002 0.000 0.768 250 K HN 0.446 nan 8.250 nan 0.000 0.475 251 K N 1.362 121.754 120.400 -0.012 0.000 2.097 251 K HA -0.139 4.181 4.320 0.001 0.000 0.206 251 K C 0.743 177.351 176.600 0.013 0.000 1.049 251 K CA 1.774 58.056 56.287 -0.009 0.000 0.933 251 K CB 0.282 32.770 32.500 -0.020 0.000 0.717 251 K HN -0.010 nan 8.250 nan 0.000 0.442 252 D N 0.712 121.124 120.400 0.020 0.000 2.144 252 D HA -0.125 4.515 4.640 0.001 0.000 0.200 252 D C 1.711 178.049 176.300 0.063 0.000 0.978 252 D CA 1.134 55.159 54.000 0.042 0.000 0.833 252 D CB -0.004 40.818 40.800 0.037 0.000 0.961 252 D HN 0.320 nan 8.370 nan 0.000 0.470 253 E N 1.010 121.240 120.200 0.051 0.000 2.106 253 E HA -0.051 4.300 4.350 0.001 0.000 0.192 253 E C 2.068 178.714 176.600 0.076 0.000 0.984 253 E CA 1.050 57.486 56.400 0.060 0.000 0.806 253 E CB -0.225 29.504 29.700 0.049 0.000 0.750 253 E HN 0.212 nan 8.360 nan 0.000 0.458 254 A N 0.673 123.531 122.820 0.063 0.000 1.873 254 A HA -0.267 4.054 4.320 0.001 0.000 0.215 254 A C 2.209 179.844 177.584 0.085 0.000 1.186 254 A CA 1.773 53.848 52.037 0.063 0.000 0.616 254 A CB -0.592 18.421 19.000 0.022 0.000 0.823 254 A HN 0.198 nan 8.150 nan 0.000 0.442 255 Q N -0.240 119.608 119.800 0.080 0.000 2.096 255 Q HA -0.250 4.091 4.340 0.001 0.000 0.204 255 Q C 2.182 178.295 176.000 0.189 0.000 0.982 255 Q CA 2.416 58.282 55.803 0.105 0.000 0.850 255 Q CB -0.410 28.376 28.738 0.080 0.000 0.901 255 Q HN 0.762 nan 8.270 nan 0.000 0.422 256 Q N -0.962 118.964 119.800 0.209 0.000 2.124 256 Q HA -0.163 4.178 4.340 0.001 0.000 0.202 256 Q C 1.928 178.094 176.000 0.276 0.000 0.977 256 Q CA 1.669 57.654 55.803 0.304 0.000 0.850 256 Q CB -0.050 28.818 28.738 0.217 0.000 0.901 256 Q HN 0.498 nan 8.270 nan 0.000 0.429 257 M N -0.736 118.983 119.600 0.198 0.000 2.132 257 M HA -0.140 4.340 4.480 0.001 0.000 0.263 257 M C 2.131 178.587 176.300 0.259 0.000 1.065 257 M CA 0.938 56.355 55.300 0.194 0.000 1.122 257 M CB -0.016 32.676 32.600 0.154 0.000 1.365 257 M HN 0.107 nan 8.290 nan 0.000 0.411 258 V N 0.631 120.704 119.914 0.265 0.000 2.343 258 V HA -0.265 3.856 4.120 0.001 0.000 0.247 258 V C 1.815 178.105 176.094 0.327 0.000 1.051 258 V CA 1.840 64.331 62.300 0.317 0.000 1.036 258 V CB -0.792 31.201 31.823 0.283 0.000 0.654 258 V HN 0.391 nan 8.190 nan 0.000 0.451 259 D N 0.202 120.809 120.400 0.346 0.000 2.092 259 D HA -0.146 4.494 4.640 0.001 0.000 0.193 259 D C 2.214 178.897 176.300 0.638 0.000 0.994 259 D CA 1.468 55.746 54.000 0.462 0.000 0.828 259 D CB -0.484 40.627 40.800 0.518 0.000 0.963 259 D HN 0.314 nan 8.370 nan 0.000 0.450 260 V N 1.570 121.828 119.914 0.573 0.000 2.261 260 V HA -0.256 3.864 4.120 0.001 0.000 0.246 260 V C 2.579 178.906 176.094 0.388 0.000 1.047 260 V CA 2.004 64.582 62.300 0.465 0.000 1.015 260 V CB -0.911 31.074 31.823 0.270 0.000 0.642 260 V HN 0.204 nan 8.190 nan 0.000 0.446 261 A N -0.311 122.711 122.820 0.336 0.000 1.940 261 A HA -0.196 4.124 4.320 0.001 0.000 0.219 261 A C 2.171 179.975 177.584 0.366 0.000 1.176 261 A CA 2.061 54.293 52.037 0.324 0.000 0.631 261 A CB -0.591 18.603 19.000 0.322 0.000 0.814 261 A HN 0.539 nan 8.150 nan 0.000 0.446 262 I N -2.022 118.765 120.570 0.362 0.000 2.315 262 I HA -0.241 3.929 4.170 0.001 0.000 0.248 262 I C 2.533 178.772 176.117 0.204 0.000 1.117 262 I CA 1.137 62.628 61.300 0.319 0.000 1.404 262 I CB -0.348 37.748 38.000 0.160 0.000 1.071 262 I HN 0.708 nan 8.210 nan 0.000 0.419 263 W N 2.573 123.884 121.300 0.017 0.000 2.379 263 W HA -0.168 4.493 4.660 0.001 0.000 0.307 263 W C 2.593 179.098 176.519 -0.023 0.000 1.200 263 W CA 1.307 58.530 57.345 -0.203 0.000 1.297 263 W CB -0.180 29.039 29.460 -0.400 0.000 1.140 263 W HN 0.063 nan 8.180 nan 0.000 0.507 264 R N 0.208 120.783 120.500 0.126 0.000 2.096 264 R HA -0.125 4.216 4.340 0.001 0.000 0.235 264 R C 2.333 178.523 176.300 -0.183 0.000 1.127 264 R CA 1.825 57.974 56.100 0.083 0.000 0.968 264 R CB -0.837 29.671 30.300 0.346 0.000 0.861 264 R HN 0.084 nan 8.270 nan 0.000 0.440 265 S N 0.636 116.268 115.700 -0.114 0.000 2.368 265 S HA -0.170 4.301 4.470 0.001 0.000 0.225 265 S C 1.406 175.559 174.600 -0.746 0.000 1.030 265 S CA 1.113 58.981 58.200 -0.553 0.000 0.999 265 S CB -0.371 62.666 63.200 -0.273 0.000 0.844 265 S HN 0.571 nan 8.310 nan 0.000 0.459 266 W N 2.674 123.525 121.300 -0.748 0.000 2.338 266 W HA -0.157 4.503 4.660 0.001 0.000 0.304 266 W C 1.342 177.616 176.519 -0.408 0.000 1.212 266 W CA 1.119 58.138 57.345 -0.544 0.000 1.264 266 W CB -0.184 28.828 29.460 -0.746 0.000 1.142 266 W HN 0.160 nan 8.180 nan 0.000 0.512 267 K N 0.916 120.739 120.400 -0.962 0.000 2.057 267 K HA -0.196 4.125 4.320 0.001 0.000 0.207 267 K C 2.051 178.301 176.600 -0.583 0.000 1.049 267 K CA 1.373 57.127 56.287 -0.888 0.000 0.931 267 K CB -1.294 30.874 32.500 -0.553 0.000 0.714 267 K HN 0.299 nan 8.250 nan 0.000 0.440 268 L N 0.151 121.053 121.223 -0.534 0.000 2.046 268 L HA -0.085 4.255 4.340 0.001 0.000 0.208 268 L C 2.166 178.863 176.870 -0.288 0.000 1.077 268 L CA 1.413 55.987 54.840 -0.442 0.000 0.747 268 L CB -0.500 41.096 42.059 -0.772 0.000 0.896 268 L HN -0.030 nan 8.230 nan 0.000 0.432 269 F N 0.027 119.714 119.950 -0.439 0.000 2.171 269 F HA -0.211 4.316 4.527 0.001 0.000 0.300 269 F C 2.854 178.503 175.800 -0.251 0.000 1.090 269 F CA 1.536 59.419 58.000 -0.194 0.000 1.293 269 F CB -0.613 38.406 39.000 0.031 0.000 1.013 269 F HN 0.349 nan 8.300 nan 0.000 0.486 270 S N -1.374 114.101 115.700 -0.375 0.000 2.442 270 S HA -0.136 4.335 4.470 0.001 0.000 0.236 270 S C 1.915 176.307 174.600 -0.347 0.000 1.007 270 S CA 1.248 59.148 58.200 -0.499 0.000 0.965 270 S CB -0.718 61.975 63.200 -0.845 0.000 0.773 270 S HN 0.248 nan 8.310 nan 0.000 0.504 271 V N 0.204 119.952 119.914 -0.277 0.000 3.085 271 V HA 0.369 4.489 4.120 0.001 0.000 0.245 271 V C 1.742 177.704 176.094 -0.220 0.000 1.114 271 V CA 0.453 62.659 62.300 -0.156 0.000 1.108 271 V CB -0.075 31.735 31.823 -0.023 0.000 0.798 271 V HN 0.558 nan 8.190 nan 0.000 0.471 272 L N -0.392 120.650 121.223 -0.302 0.000 2.416 272 L HA 0.097 4.437 4.340 0.001 0.000 0.216 272 L C 2.098 178.678 176.870 -0.482 0.000 1.098 272 L CA 1.396 56.012 54.840 -0.372 0.000 0.840 272 L CB -0.270 41.610 42.059 -0.298 0.000 0.981 272 L HN 0.321 nan 8.230 nan 0.000 0.462 273 T N -1.319 112.900 114.554 -0.558 0.000 3.098 273 T HA 0.114 4.465 4.350 0.001 0.000 0.246 273 T C 1.806 176.119 174.700 -0.644 0.000 0.983 273 T CA 0.546 62.302 62.100 -0.572 0.000 1.094 273 T CB 0.035 68.503 68.868 -0.667 0.000 1.035 273 T HN 0.312 nan 8.240 nan 0.000 0.456 274 G N 3.088 111.226 108.800 -1.103 0.000 2.553 274 G HA2 -0.200 3.760 3.960 0.001 0.000 0.218 274 G HA3 -0.200 3.760 3.960 0.001 0.000 0.218 274 G C -0.799 173.791 174.900 -0.516 0.000 1.195 274 G CA 1.101 45.182 45.100 -1.697 0.000 0.779 274 G HN 0.382 nan 8.290 nan 0.000 0.577 275 P HA -0.061 nan 4.420 nan 0.000 0.215 275 P C 1.972 179.150 177.300 -0.203 0.000 1.153 275 P CA 0.828 63.894 63.100 -0.057 0.000 0.853 275 P CB -0.075 31.613 31.700 -0.020 0.000 0.788 276 I N -1.907 118.354 120.570 -0.515 0.000 2.179 276 I HA -0.255 3.916 4.170 0.001 0.000 0.242 276 I C 2.385 178.392 176.117 -0.183 0.000 1.088 276 I CA 1.647 62.617 61.300 -0.549 0.000 1.357 276 I CB -0.485 37.181 38.000 -0.556 0.000 1.051 276 I HN -0.051 nan 8.210 nan 0.000 0.409 277 M N -0.084 119.428 119.600 -0.147 0.000 2.132 277 M HA -0.196 4.284 4.480 0.001 0.000 0.263 277 M C 1.196 177.505 176.300 0.014 0.000 1.065 277 M CA 1.691 56.973 55.300 -0.029 0.000 1.122 277 M CB -0.424 32.216 32.600 0.066 0.000 1.365 277 M HN 0.133 nan 8.290 nan 0.000 0.411 278 D N -1.606 118.820 120.400 0.044 0.000 2.339 278 D HA 0.022 4.663 4.640 0.001 0.000 0.217 278 D C 0.685 176.661 176.300 -0.539 0.000 1.050 278 D CA 0.856 54.821 54.000 -0.058 0.000 0.856 278 D CB 0.284 41.117 40.800 0.056 0.000 0.922 278 D HN 0.388 nan 8.370 nan 0.000 0.518 279 Y N -2.417 117.824 120.300 -0.099 0.000 2.619 279 Y HA 0.165 4.715 4.550 0.001 0.000 0.273 279 Y C 1.453 177.380 175.900 0.044 0.000 1.175 279 Y CA -0.301 57.706 58.100 -0.155 0.000 1.157 279 Y CB 0.162 38.319 38.460 -0.506 0.000 1.329 279 Y HN -0.069 nan 8.280 nan 0.000 0.503 280 Y N 1.136 121.446 120.300 0.018 0.000 2.314 280 Y HA -0.025 4.525 4.550 0.001 0.000 0.294 280 Y C 1.222 177.138 175.900 0.027 0.000 1.119 280 Y CA 0.653 58.781 58.100 0.048 0.000 1.179 280 Y CB 0.030 38.511 38.460 0.035 0.000 1.025 280 Y HN -0.101 nan 8.280 nan 0.000 0.541 281 T N 0.329 114.964 114.554 0.135 0.000 2.834 281 T HA 0.192 4.543 4.350 0.001 0.000 0.298 281 T C -2.667 171.982 174.700 -0.086 0.000 0.966 281 T CA -2.084 60.037 62.100 0.035 0.000 1.141 281 T CB 0.986 69.836 68.868 -0.030 0.000 0.905 281 T HN -0.151 nan 8.240 nan 0.000 0.535 282 P HA 0.001 nan 4.420 nan 0.000 0.261 282 P C 1.379 178.529 177.300 -0.250 0.000 1.173 282 P CA -0.254 62.766 63.100 -0.133 0.000 0.760 282 P CB 0.396 32.049 31.700 -0.078 0.000 0.783 283 L N 3.680 124.707 121.223 -0.327 0.000 2.034 283 L HA -0.279 4.062 4.340 0.001 0.000 0.217 283 L C 2.140 178.783 176.870 -0.377 0.000 1.077 283 L CA 1.950 56.504 54.840 -0.477 0.000 0.769 283 L CB -0.370 41.458 42.059 -0.385 0.000 0.890 283 L HN 0.518 nan 8.230 nan 0.000 0.435 284 E N -1.350 118.712 120.200 -0.229 0.000 2.338 284 E HA -0.151 4.199 4.350 0.001 0.000 0.197 284 E C 1.475 177.990 176.600 -0.141 0.000 1.007 284 E CA 1.205 57.511 56.400 -0.156 0.000 0.849 284 E CB -0.236 29.401 29.700 -0.106 0.000 0.774 284 E HN 0.412 nan 8.360 nan 0.000 0.506 285 S N 0.439 116.040 115.700 -0.165 0.000 2.582 285 S HA 0.196 4.667 4.470 0.001 0.000 0.234 285 S C 0.165 174.680 174.600 -0.142 0.000 0.961 285 S CA -0.468 57.649 58.200 -0.137 0.000 0.953 285 S CB 0.178 63.297 63.200 -0.136 0.000 0.800 285 S HN 0.146 nan 8.310 nan 0.000 0.471 286 R N 1.859 122.243 120.500 -0.192 0.000 2.204 286 R HA 0.331 4.671 4.340 0.001 0.000 0.341 286 R C 0.406 176.704 176.300 -0.003 0.000 1.035 286 R CA -0.148 55.857 56.100 -0.159 0.000 0.887 286 R CB 0.220 30.258 30.300 -0.437 0.000 1.114 286 R HN 0.340 nan 8.270 nan 0.000 0.473 287 N N 1.978 120.705 118.700 0.045 0.000 2.106 287 N HA -0.181 4.559 4.740 0.001 0.000 0.188 287 N C 0.174 175.786 175.510 0.170 0.000 1.029 287 N CA 1.114 54.221 53.050 0.095 0.000 0.848 287 N CB 0.281 38.823 38.487 0.091 0.000 1.007 287 N HN 0.591 nan 8.380 nan 0.000 0.423 288 Q N -0.376 119.557 119.800 0.222 0.000 2.626 288 Q HA 0.424 4.765 4.340 0.001 0.000 0.300 288 Q C -1.314 174.901 176.000 0.358 0.000 0.988 288 Q CA -1.065 54.896 55.803 0.264 0.000 0.761 288 Q CB 1.430 30.310 28.738 0.236 0.000 1.494 288 Q HN -0.007 nan 8.270 nan 0.000 0.439 289 S N -0.260 115.614 115.700 0.290 0.000 2.652 289 S HA 0.270 4.740 4.470 0.001 0.000 0.270 289 S C 0.434 175.254 174.600 0.366 0.000 1.243 289 S CA -0.664 57.741 58.200 0.341 0.000 0.999 289 S CB 0.491 63.663 63.200 -0.046 0.000 0.973 289 S HN 0.657 nan 8.310 nan 0.000 0.544 290 F N 1.769 121.878 119.950 0.265 0.000 2.120 290 F HA -0.109 4.418 4.527 0.001 0.000 0.300 290 F C 2.325 178.265 175.800 0.234 0.000 1.095 290 F CA 2.178 60.283 58.000 0.176 0.000 1.249 290 F CB -0.384 38.531 39.000 -0.143 0.000 0.995 290 F HN 0.823 nan 8.300 nan 0.000 0.480 291 K N 0.361 120.841 120.400 0.133 0.000 2.026 291 K HA -0.199 4.122 4.320 0.001 0.000 0.208 291 K C 1.989 178.545 176.600 -0.073 0.000 1.048 291 K CA 1.896 58.175 56.287 -0.014 0.000 0.929 291 K CB -0.284 32.313 32.500 0.161 0.000 0.713 291 K HN 0.409 nan 8.250 nan 0.000 0.439 292 E N -0.123 120.070 120.200 -0.011 0.000 2.077 292 E HA -0.210 4.140 4.350 0.001 0.000 0.193 292 E C 1.884 178.503 176.600 0.032 0.000 0.989 292 E CA 1.339 57.727 56.400 -0.020 0.000 0.800 292 E CB -0.276 29.432 29.700 0.013 0.000 0.746 292 E HN 0.339 nan 8.360 nan 0.000 0.452 293 F N 1.545 121.517 119.950 0.037 0.000 2.102 293 F HA -0.229 4.298 4.527 0.001 0.000 0.298 293 F C 2.181 178.027 175.800 0.076 0.000 1.105 293 F CA 1.376 59.479 58.000 0.171 0.000 1.239 293 F CB -0.079 39.042 39.000 0.201 0.000 0.991 293 F HN -0.083 nan 8.300 nan 0.000 0.474 294 M N 0.194 119.662 119.600 -0.220 0.000 2.108 294 M HA -0.194 4.286 4.480 0.001 0.000 0.261 294 M C 2.355 178.427 176.300 -0.380 0.000 1.066 294 M CA 1.599 56.678 55.300 -0.369 0.000 1.107 294 M CB -1.383 30.996 32.600 -0.368 0.000 1.356 294 M HN 0.305 nan 8.290 nan 0.000 0.406 295 L N -0.717 120.314 121.223 -0.319 0.000 2.005 295 L HA -0.186 4.154 4.340 0.001 0.000 0.207 295 L C 2.505 179.180 176.870 -0.325 0.000 1.072 295 L CA 1.295 55.958 54.840 -0.295 0.000 0.744 295 L CB -0.690 41.225 42.059 -0.240 0.000 0.895 295 L HN 0.354 nan 8.230 nan 0.000 0.433 296 E N -0.572 119.392 120.200 -0.393 0.000 2.106 296 E HA -0.215 4.135 4.350 0.001 0.000 0.192 296 E C 1.845 177.974 176.600 -0.785 0.000 0.984 296 E CA 1.486 57.512 56.400 -0.624 0.000 0.806 296 E CB 0.023 29.280 29.700 -0.739 0.000 0.750 296 E HN 0.499 nan 8.360 nan 0.000 0.458 297 W N -0.999 120.040 121.300 -0.435 0.000 2.940 297 W HA 0.211 4.871 4.660 0.001 0.000 0.297 297 W C 1.545 177.764 176.519 -0.501 0.000 1.149 297 W CA -0.656 56.403 57.345 -0.478 0.000 1.564 297 W CB 0.633 29.719 29.460 -0.623 0.000 1.010 297 W HN 0.054 nan 8.180 nan 0.000 0.578 298 I N -1.306 119.052 120.570 -0.354 0.000 3.518 298 I HA -0.004 4.166 4.170 0.001 0.000 0.260 298 I C 2.005 178.007 176.117 -0.191 0.000 1.148 298 I CA 0.498 61.560 61.300 -0.397 0.000 1.440 298 I CB -1.227 36.492 38.000 -0.469 0.000 1.485 298 I HN -0.294 nan 8.210 nan 0.000 0.456 299 V N 2.134 121.984 119.914 -0.108 0.000 2.287 299 V HA -0.235 3.886 4.120 0.001 0.000 0.248 299 V C 2.906 179.108 176.094 0.180 0.000 1.053 299 V CA 2.126 64.497 62.300 0.118 0.000 1.027 299 V CB -1.269 30.479 31.823 -0.126 0.000 0.646 299 V HN 0.440 nan 8.190 nan 0.000 0.447 300 A N -0.513 122.297 122.820 -0.015 0.000 1.883 300 A HA -0.291 4.030 4.320 0.001 0.000 0.217 300 A C 2.142 179.712 177.584 -0.022 0.000 1.186 300 A CA 2.081 54.098 52.037 -0.033 0.000 0.624 300 A CB -0.569 18.351 19.000 -0.133 0.000 0.822 300 A HN 0.548 nan 8.150 nan 0.000 0.444 301 Q N -1.112 118.637 119.800 -0.085 0.000 2.124 301 Q HA -0.085 4.255 4.340 0.001 0.000 0.202 301 Q C 1.707 177.667 176.000 -0.067 0.000 0.977 301 Q CA 1.481 57.212 55.803 -0.120 0.000 0.850 301 Q CB -0.577 28.021 28.738 -0.233 0.000 0.901 301 Q HN 0.665 nan 8.270 nan 0.000 0.429 302 F N 1.085 121.023 119.950 -0.019 0.000 2.102 302 F HA -0.137 4.390 4.527 0.001 0.000 0.298 302 F C 2.010 177.782 175.800 -0.047 0.000 1.105 302 F CA 1.311 59.313 58.000 0.004 0.000 1.239 302 F CB -0.410 38.681 39.000 0.153 0.000 0.991 302 F HN 0.174 nan 8.300 nan 0.000 0.474 303 E N -0.534 119.744 120.200 0.131 0.000 2.085 303 E HA -0.272 4.079 4.350 0.001 0.000 0.194 303 E C 2.258 178.849 176.600 -0.014 0.000 0.994 303 E CA 1.266 57.635 56.400 -0.052 0.000 0.801 303 E CB -0.237 29.438 29.700 -0.042 0.000 0.743 303 E HN 0.135 nan 8.360 nan 0.000 0.453 304 R N 1.133 121.642 120.500 0.014 0.000 2.082 304 R HA -0.176 4.165 4.340 0.001 0.000 0.234 304 R C 2.384 178.708 176.300 0.041 0.000 1.136 304 R CA 1.719 57.824 56.100 0.008 0.000 0.935 304 R CB -0.282 30.016 30.300 -0.003 0.000 0.842 304 R HN 0.097 nan 8.270 nan 0.000 0.430 305 Q N 0.260 120.116 119.800 0.093 0.000 2.030 305 Q HA -0.169 4.171 4.340 0.001 0.000 0.204 305 Q C 2.319 178.432 176.000 0.188 0.000 0.986 305 Q CA 1.823 57.737 55.803 0.185 0.000 0.843 305 Q CB -0.435 28.491 28.738 0.313 0.000 0.904 305 Q HN 0.421 nan 8.270 nan 0.000 0.420 306 L N 0.114 121.445 121.223 0.180 0.000 2.083 306 L HA -0.205 4.135 4.340 0.001 0.000 0.209 306 L C 2.431 179.301 176.870 0.001 0.000 1.083 306 L CA 0.516 55.408 54.840 0.086 0.000 0.752 306 L CB -0.488 41.566 42.059 -0.008 0.000 0.899 306 L HN 0.182 nan 8.230 nan 0.000 0.433 307 L N -0.057 121.157 121.223 -0.014 0.000 1.994 307 L HA -0.227 4.113 4.340 0.001 0.000 0.208 307 L C 2.135 178.991 176.870 -0.023 0.000 1.071 307 L CA 1.902 56.722 54.840 -0.034 0.000 0.745 307 L CB -0.649 41.388 42.059 -0.038 0.000 0.892 307 L HN 0.225 nan 8.230 nan 0.000 0.431 308 D N -0.641 119.756 120.400 -0.006 0.000 2.218 308 D HA -0.153 4.488 4.640 0.001 0.000 0.204 308 D C 1.981 178.266 176.300 -0.026 0.000 0.976 308 D CA 1.108 55.101 54.000 -0.011 0.000 0.853 308 D CB 0.103 40.905 40.800 0.003 0.000 0.939 308 D HN 0.285 nan 8.370 nan 0.000 0.481 309 L N -0.606 120.601 121.223 -0.027 0.000 2.567 309 L HA 0.209 4.549 4.340 0.001 0.000 0.225 309 L C 1.579 178.411 176.870 -0.063 0.000 1.119 309 L CA 0.514 55.317 54.840 -0.062 0.000 0.871 309 L CB -0.180 41.818 42.059 -0.103 0.000 1.036 309 L HN 0.099 nan 8.230 nan 0.000 0.459 310 G N -0.373 108.397 108.800 -0.050 0.000 2.149 310 G HA2 -0.232 3.728 3.960 0.001 0.000 0.235 310 G HA3 -0.232 3.728 3.960 0.001 0.000 0.235 310 G C 0.120 174.989 174.900 -0.052 0.000 1.018 310 G CA 0.176 45.246 45.100 -0.051 0.000 0.728 310 G HN 0.234 nan 8.290 nan 0.000 0.508 311 L N -0.380 120.812 121.223 -0.052 0.000 2.331 311 L HA 0.654 4.994 4.340 0.001 0.000 0.268 311 L C 0.030 176.856 176.870 -0.075 0.000 1.015 311 L CA -1.260 53.549 54.840 -0.052 0.000 0.807 311 L CB 1.043 43.078 42.059 -0.041 0.000 1.293 311 L HN -0.005 nan 8.230 nan 0.000 0.451 312 D N -0.014 120.334 120.400 -0.087 0.000 2.440 312 D HA 0.307 4.947 4.640 0.001 0.000 0.258 312 D C -0.555 175.607 176.300 -0.228 0.000 1.092 312 D CA -0.559 53.360 54.000 -0.135 0.000 1.016 312 D CB 1.144 41.883 40.800 -0.101 0.000 1.141 312 D HN 0.253 nan 8.370 nan 0.000 0.552 313 K N 0.893 121.095 120.400 -0.330 0.000 2.298 313 K HA 0.303 4.623 4.320 0.001 0.000 0.280 313 K C -2.268 174.097 176.600 -0.392 0.000 1.032 313 K CA -1.220 54.722 56.287 -0.576 0.000 0.958 313 K CB 0.348 32.386 32.500 -0.769 0.000 0.978 313 K HN 0.075 nan 8.250 nan 0.000 0.472 314 P HA -0.128 nan 4.420 nan 0.000 0.267 314 P C 0.693 177.637 177.300 -0.593 0.000 1.201 314 P CA -0.181 62.565 63.100 -0.591 0.000 0.775 314 P CB 0.259 31.275 31.700 -1.139 0.000 0.854 315 W N 2.426 123.417 121.300 -0.515 0.000 2.364 315 W HA -0.204 4.457 4.660 0.001 0.000 0.281 315 W C 0.796 177.161 176.519 -0.256 0.000 1.219 315 W CA 1.027 58.160 57.345 -0.353 0.000 1.220 315 W CB -1.729 27.496 29.460 -0.391 0.000 1.127 315 W HN 0.441 nan 8.180 nan 0.000 0.556 316 Y N -3.423 116.345 120.300 -0.887 0.000 2.466 316 Y HA 0.216 4.766 4.550 0.001 0.000 0.272 316 Y C 2.246 178.034 175.900 -0.186 0.000 1.169 316 Y CA -1.619 56.016 58.100 -0.776 0.000 1.285 316 Y CB -1.583 35.950 38.460 -1.545 0.000 1.078 316 Y HN -0.010 nan 8.280 nan 0.000 0.523 317 W N 2.578 123.711 121.300 -0.278 0.000 2.304 317 W HA -0.286 4.375 4.660 0.001 0.000 0.315 317 W C 0.897 177.458 176.519 0.070 0.000 1.233 317 W CA 2.373 59.718 57.345 -0.001 0.000 1.261 317 W CB -0.090 29.306 29.460 -0.108 0.000 1.150 317 W HN 0.277 nan 8.180 nan 0.000 0.494 318 D N -0.452 120.036 120.400 0.146 0.000 2.117 318 D HA -0.226 4.414 4.640 0.001 0.000 0.197 318 D C 1.891 178.214 176.300 0.038 0.000 0.987 318 D CA 1.673 55.711 54.000 0.063 0.000 0.829 318 D CB -0.617 40.235 40.800 0.087 0.000 0.961 318 D HN 0.205 nan 8.370 nan 0.000 0.460 319 Q N 0.029 119.882 119.800 0.087 0.000 2.084 319 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 319 Q C 1.911 178.010 176.000 0.165 0.000 0.978 319 Q CA 0.899 56.774 55.803 0.121 0.000 0.844 319 Q CB -0.587 28.208 28.738 0.095 0.000 0.898 319 Q HN 0.202 nan 8.270 nan 0.000 0.426 320 F N 0.064 119.977 119.950 -0.061 0.000 2.126 320 F HA -0.217 4.310 4.527 0.001 0.000 0.299 320 F C 1.599 177.155 175.800 -0.408 0.000 1.096 320 F CA 1.414 59.257 58.000 -0.262 0.000 1.255 320 F CB -0.436 38.335 39.000 -0.381 0.000 0.997 320 F HN 0.132 nan 8.300 nan 0.000 0.479 321 M N 0.206 119.539 119.600 -0.445 0.000 2.086 321 M HA -0.219 4.262 4.480 0.001 0.000 0.261 321 M C 2.114 178.291 176.300 -0.206 0.000 1.067 321 M CA 1.635 56.644 55.300 -0.485 0.000 1.116 321 M CB -1.601 30.800 32.600 -0.331 0.000 1.348 321 M HN 0.287 nan 8.290 nan 0.000 0.407 322 Q N 0.086 119.864 119.800 -0.037 0.000 2.079 322 Q HA -0.167 4.174 4.340 0.001 0.000 0.200 322 Q C 1.512 177.626 176.000 0.190 0.000 0.974 322 Q CA 1.216 57.073 55.803 0.090 0.000 0.840 322 Q CB -0.268 28.554 28.738 0.139 0.000 0.898 322 Q HN 0.466 nan 8.270 nan 0.000 0.430 323 D N 0.924 121.468 120.400 0.239 0.000 2.311 323 D HA -0.117 4.523 4.640 0.001 0.000 0.212 323 D C 1.659 178.231 176.300 0.454 0.000 0.972 323 D CA 0.766 55.026 54.000 0.434 0.000 0.887 323 D CB -0.087 41.047 40.800 0.557 0.000 0.915 323 D HN 0.256 nan 8.370 nan 0.000 0.497 324 L N 0.512 121.859 121.223 0.207 0.000 2.265 324 L HA -0.127 4.213 4.340 0.001 0.000 0.215 324 L C 1.656 178.811 176.870 0.476 0.000 1.117 324 L CA 0.830 55.821 54.840 0.252 0.000 0.782 324 L CB -0.161 41.855 42.059 -0.072 0.000 0.914 324 L HN -0.052 nan 8.230 nan 0.000 0.441 325 D N -0.440 120.229 120.400 0.448 0.000 2.249 325 D HA -0.107 4.533 4.640 0.001 0.000 0.205 325 D C 1.786 178.415 176.300 0.549 0.000 0.962 325 D CA 0.974 55.310 54.000 0.560 0.000 0.860 325 D CB 0.514 41.588 40.800 0.456 0.000 0.955 325 D HN 0.323 nan 8.370 nan 0.000 0.505 326 E N -0.658 119.845 120.200 0.504 0.000 2.378 326 E HA 0.046 4.397 4.350 0.001 0.000 0.200 326 E C 1.913 178.690 176.600 0.295 0.000 0.882 326 E CA 0.418 57.104 56.400 0.476 0.000 1.061 326 E CB -0.033 29.861 29.700 0.323 0.000 1.049 326 E HN -0.097 nan 8.360 nan 0.000 0.494 327 T N 1.625 116.467 114.554 0.479 0.000 2.649 327 T HA -0.239 4.112 4.350 0.001 0.000 0.268 327 T C 1.648 176.446 174.700 0.164 0.000 1.036 327 T CA 2.004 64.360 62.100 0.425 0.000 1.157 327 T CB -0.647 68.561 68.868 0.567 0.000 0.861 327 T HN 0.396 nan 8.240 nan 0.000 0.445 328 H N 0.484 119.549 119.070 -0.008 0.000 2.462 328 H HA 0.000 4.557 4.556 0.001 0.000 0.292 328 H C 1.945 177.142 175.328 -0.218 0.000 1.049 328 H CA 1.277 57.207 56.048 -0.197 0.000 1.334 328 H CB -0.804 28.738 29.762 -0.365 0.000 1.404 328 H HN 0.465 nan 8.280 nan 0.000 0.544 329 H N 0.890 119.478 119.070 -0.802 0.000 2.389 329 H HA -0.001 4.556 4.556 0.001 0.000 0.299 329 H C 2.498 177.299 175.328 -0.879 0.000 1.081 329 H CA 1.263 56.736 56.048 -0.959 0.000 1.345 329 H CB -0.507 28.213 29.762 -1.736 0.000 1.393 329 H HN 0.598 nan 8.280 nan 0.000 0.520 330 G N 0.505 108.956 108.800 -0.582 0.000 2.403 330 G HA2 -0.162 3.799 3.960 0.001 0.000 0.216 330 G HA3 -0.162 3.799 3.960 0.001 0.000 0.216 330 G C 1.708 176.645 174.900 0.061 0.000 1.154 330 G CA 0.299 45.386 45.100 -0.023 0.000 0.784 330 G HN 0.157 nan 8.290 nan 0.000 0.538 331 M N 0.271 119.888 119.600 0.029 0.000 2.175 331 M HA 0.014 4.495 4.480 0.001 0.000 0.264 331 M C 2.147 178.527 176.300 0.133 0.000 1.063 331 M CA 1.180 56.523 55.300 0.072 0.000 1.119 331 M CB -1.125 31.496 32.600 0.034 0.000 1.377 331 M HN 0.443 nan 8.290 nan 0.000 0.415 332 H N 0.613 119.683 119.070 0.001 0.000 2.326 332 H HA -0.094 4.462 4.556 0.001 0.000 0.301 332 H C 1.800 177.240 175.328 0.186 0.000 1.081 332 H CA 1.594 57.665 56.048 0.039 0.000 1.334 332 H CB -0.253 29.349 29.762 -0.266 0.000 1.385 332 H HN 0.162 nan 8.280 nan 0.000 0.504 333 L N 0.400 121.636 121.223 0.023 0.000 2.046 333 L HA 0.019 4.360 4.340 0.001 0.000 0.208 333 L C 2.509 179.484 176.870 0.175 0.000 1.077 333 L CA 2.100 56.969 54.840 0.049 0.000 0.747 333 L CB -1.286 40.811 42.059 0.063 0.000 0.896 333 L HN 0.475 nan 8.230 nan 0.000 0.432 334 G N -1.157 107.754 108.800 0.185 0.000 2.421 334 G HA2 -0.207 3.754 3.960 0.001 0.000 0.216 334 G HA3 -0.207 3.754 3.960 0.001 0.000 0.216 334 G C 1.565 176.655 174.900 0.317 0.000 1.171 334 G CA 1.097 46.339 45.100 0.237 0.000 0.775 334 G HN 0.326 nan 8.290 nan 0.000 0.543 335 V N -0.593 119.478 119.914 0.262 0.000 2.343 335 V HA -0.140 3.981 4.120 0.001 0.000 0.247 335 V C 2.236 178.463 176.094 0.222 0.000 1.051 335 V CA 1.857 64.345 62.300 0.313 0.000 1.036 335 V CB -0.508 31.556 31.823 0.402 0.000 0.654 335 V HN 0.625 nan 8.190 nan 0.000 0.451 336 W N -0.448 120.871 121.300 0.032 0.000 2.379 336 W HA -0.216 4.445 4.660 0.001 0.000 0.307 336 W C 2.501 179.035 176.519 0.026 0.000 1.200 336 W CA 1.681 59.028 57.345 0.004 0.000 1.297 336 W CB -0.468 28.997 29.460 0.009 0.000 1.140 336 W HN 0.322 nan 8.180 nan 0.000 0.507 337 Y N -0.859 119.529 120.300 0.145 0.000 2.165 337 Y HA -0.232 4.318 4.550 0.001 0.000 0.286 337 Y C 1.766 177.441 175.900 -0.374 0.000 1.155 337 Y CA 2.138 60.151 58.100 -0.146 0.000 1.164 337 Y CB -0.632 37.766 38.460 -0.104 0.000 0.978 337 Y HN -0.066 nan 8.280 nan 0.000 0.513 338 W N 2.778 124.024 121.300 -0.091 0.000 3.364 338 W HA 0.103 4.764 4.660 0.001 0.000 0.397 338 W C 1.694 178.085 176.519 -0.214 0.000 1.107 338 W CA 0.231 57.486 57.345 -0.149 0.000 1.892 338 W CB -0.204 29.188 29.460 -0.112 0.000 1.027 338 W HN 0.312 nan 8.180 nan 0.000 0.761 339 R N 1.571 121.925 120.500 -0.244 0.000 2.153 339 R HA -0.192 4.148 4.340 0.001 0.000 0.252 339 R C -0.772 175.329 176.300 -0.330 0.000 1.158 339 R CA 1.351 57.235 56.100 -0.361 0.000 0.975 339 R CB -2.131 27.824 30.300 -0.575 0.000 0.871 339 R HN 0.016 nan 8.270 nan 0.000 0.450 340 P HA -0.057 nan 4.420 nan 0.000 0.239 340 P C 0.569 177.797 177.300 -0.119 0.000 1.184 340 P CA 1.447 64.425 63.100 -0.203 0.000 0.760 340 P CB 0.072 31.668 31.700 -0.174 0.000 0.884 341 T N -3.113 111.425 114.554 -0.026 0.000 3.107 341 T HA 0.203 4.553 4.350 0.001 0.000 0.249 341 T C 0.797 175.500 174.700 0.005 0.000 1.096 341 T CA -0.168 62.011 62.100 0.132 0.000 1.012 341 T CB -0.755 68.339 68.868 0.376 0.000 0.977 341 T HN -0.009 nan 8.240 nan 0.000 0.527 342 V N -1.773 117.937 119.914 -0.340 0.000 3.103 342 V HA 0.752 4.873 4.120 0.001 0.000 0.318 342 V C 0.475 176.107 176.094 -0.770 0.000 1.114 342 V CA -1.702 60.108 62.300 -0.817 0.000 1.020 342 V CB 1.343 32.108 31.823 -1.762 0.000 1.085 342 V HN 0.531 nan 8.190 nan 0.000 0.446 343 W N 0.936 121.800 121.300 -0.726 0.000 3.330 343 W HA 0.614 5.275 4.660 0.001 0.000 0.348 343 W C -0.174 176.155 176.519 -0.316 0.000 1.205 343 W CA -0.989 55.944 57.345 -0.687 0.000 1.841 343 W CB -0.510 28.314 29.460 -1.059 0.000 1.084 343 W HN 0.786 nan 8.180 nan 0.000 0.665 344 W N 0.335 121.306 121.300 -0.548 0.000 2.992 344 W HA 0.621 5.281 4.660 0.001 0.000 0.342 344 W C -0.955 175.389 176.519 -0.292 0.000 1.176 344 W CA -1.492 55.614 57.345 -0.397 0.000 1.118 344 W CB 0.486 29.674 29.460 -0.452 0.000 1.457 344 W HN -0.392 nan 8.180 nan 0.000 0.573 345 D N 2.510 122.883 120.400 -0.044 0.000 2.396 345 D HA 0.290 4.930 4.640 0.001 0.000 0.225 345 D C -2.328 173.954 176.300 -0.031 0.000 1.121 345 D CA -1.434 52.486 54.000 -0.135 0.000 0.853 345 D CB 1.083 41.805 40.800 -0.130 0.000 1.043 345 D HN -0.076 nan 8.370 nan 0.000 0.500 346 P HA 0.164 nan 4.420 nan 0.000 0.271 346 P C -0.882 176.392 177.300 -0.043 0.000 1.216 346 P CA -0.314 62.798 63.100 0.020 0.000 0.771 346 P CB 0.829 32.644 31.700 0.192 0.000 0.864 347 A N 3.393 125.931 122.820 -0.472 0.000 2.260 347 A HA 0.532 4.853 4.320 0.001 0.000 0.308 347 A C 1.488 179.045 177.584 -0.044 0.000 1.254 347 A CA 0.014 51.941 52.037 -0.183 0.000 0.874 347 A CB 0.237 19.079 19.000 -0.264 0.000 1.153 347 A HN 0.558 nan 8.150 nan 0.000 0.527 348 A N 2.778 125.458 122.820 -0.234 0.000 1.892 348 A HA 0.251 4.572 4.320 0.001 0.000 0.218 348 A C 2.034 179.201 177.584 -0.695 0.000 1.188 348 A CA 1.872 53.393 52.037 -0.860 0.000 0.631 348 A CB -1.195 16.862 19.000 -1.571 0.000 0.822 348 A HN 2.635 nan 8.150 nan 0.000 0.447 349 G N -1.679 106.749 108.800 -0.620 0.000 2.273 349 G HA2 -0.106 3.854 3.960 0.001 0.000 0.280 349 G HA3 -0.106 3.854 3.960 0.001 0.000 0.280 349 G C 0.454 175.067 174.900 -0.479 0.000 1.047 349 G CA 0.926 45.797 45.100 -0.382 0.000 0.869 349 G HN 1.881 nan 8.290 nan 0.000 0.502 350 V N -1.883 117.549 119.914 -0.802 0.000 2.778 350 V HA 0.692 4.812 4.120 0.001 0.000 0.356 350 V C 0.884 176.857 176.094 -0.201 0.000 1.283 350 V CA 0.133 62.078 62.300 -0.591 0.000 1.247 350 V CB -0.164 31.116 31.823 -0.905 0.000 1.408 350 V HN 1.138 nan 8.190 nan 0.000 0.620 351 S N 0.350 115.975 115.700 -0.125 0.000 2.624 351 S HA 0.491 4.961 4.470 0.001 0.000 0.263 351 S C -1.362 173.282 174.600 0.073 0.000 1.287 351 S CA -0.635 57.619 58.200 0.091 0.000 0.990 351 S CB 1.169 64.369 63.200 -0.000 0.000 0.950 351 S HN 0.269 nan 8.310 nan 0.000 0.561 352 P HA -0.126 nan 4.420 nan 0.000 0.215 352 P C 1.081 178.392 177.300 0.017 0.000 1.157 352 P CA 1.466 64.594 63.100 0.046 0.000 0.874 352 P CB -0.047 31.615 31.700 -0.063 0.000 0.790 353 E N -0.174 120.011 120.200 -0.025 0.000 2.051 353 E HA -0.192 4.158 4.350 0.001 0.000 0.192 353 E C 1.948 178.532 176.600 -0.026 0.000 0.991 353 E CA 1.308 57.692 56.400 -0.027 0.000 0.799 353 E CB -0.888 28.778 29.700 -0.057 0.000 0.748 353 E HN 0.434 nan 8.360 nan 0.000 0.449 354 E N 0.385 120.536 120.200 -0.081 0.000 2.106 354 E HA -0.116 4.234 4.350 0.001 0.000 0.192 354 E C 2.108 178.642 176.600 -0.109 0.000 0.984 354 E CA 0.739 57.065 56.400 -0.124 0.000 0.806 354 E CB -0.095 29.468 29.700 -0.228 0.000 0.750 354 E HN 0.165 nan 8.360 nan 0.000 0.458 355 R N 0.936 121.367 120.500 -0.114 0.000 2.115 355 R HA -0.137 4.204 4.340 0.001 0.000 0.230 355 R C 2.367 178.627 176.300 -0.066 0.000 1.111 355 R CA 1.432 57.436 56.100 -0.160 0.000 0.976 355 R CB -0.206 30.122 30.300 0.046 0.000 0.870 355 R HN 0.388 nan 8.270 nan 0.000 0.445 356 E N -0.161 120.048 120.200 0.016 0.000 2.107 356 E HA -0.213 4.137 4.350 0.001 0.000 0.191 356 E C 1.753 178.373 176.600 0.033 0.000 0.982 356 E CA 0.642 57.065 56.400 0.039 0.000 0.809 356 E CB -0.445 29.286 29.700 0.052 0.000 0.756 356 E HN 0.404 nan 8.360 nan 0.000 0.459 357 W N 2.134 123.352 121.300 -0.138 0.000 2.355 357 W HA -0.053 4.607 4.660 0.000 0.000 0.309 357 W C 1.875 178.293 176.519 -0.167 0.000 1.206 357 W CA 1.422 58.682 57.345 -0.141 0.000 1.284 357 W CB -0.221 29.142 29.460 -0.162 0.000 1.145 357 W HN -0.026 nan 8.180 nan 0.000 0.502 358 L N 0.495 121.625 121.223 -0.154 0.000 2.079 358 L HA -0.219 4.122 4.340 0.001 0.000 0.210 358 L C 2.417 179.128 176.870 -0.264 0.000 1.081 358 L CA 1.862 56.445 54.840 -0.429 0.000 0.752 358 L CB -0.908 40.540 42.059 -1.018 0.000 0.896 358 L HN -0.010 nan 8.230 nan 0.000 0.433 359 E N 0.402 120.519 120.200 -0.138 0.000 2.150 359 E HA -0.189 4.162 4.350 0.001 0.000 0.193 359 E C 1.971 178.536 176.600 -0.060 0.000 0.985 359 E CA 1.152 57.565 56.400 0.023 0.000 0.814 359 E CB 0.102 29.845 29.700 0.073 0.000 0.752 359 E HN 0.417 nan 8.360 nan 0.000 0.466 360 E N -0.163 119.928 120.200 -0.183 0.000 2.028 360 E HA -0.146 4.205 4.350 0.001 0.000 0.191 360 E C 1.878 178.271 176.600 -0.345 0.000 0.988 360 E CA 1.042 57.302 56.400 -0.232 0.000 0.799 360 E CB 0.014 29.549 29.700 -0.274 0.000 0.755 360 E HN 0.037 nan 8.360 nan 0.000 0.447 361 K N 0.076 120.109 120.400 -0.612 0.000 2.217 361 K HA -0.055 4.265 4.320 0.001 0.000 0.202 361 K C 0.132 176.209 176.600 -0.870 0.000 1.051 361 K CA 0.906 56.683 56.287 -0.849 0.000 0.952 361 K CB 0.094 31.807 32.500 -1.311 0.000 0.736 361 K HN 0.232 nan 8.250 nan 0.000 0.453 362 Y N 0.252 120.487 120.300 -0.109 0.000 2.563 362 Y HA 0.280 4.830 4.550 0.001 0.000 0.351 362 Y C -2.553 173.421 175.900 0.124 0.000 1.087 362 Y CA -2.953 55.196 58.100 0.082 0.000 1.272 362 Y CB 1.087 39.683 38.460 0.226 0.000 1.095 362 Y HN -0.132 nan 8.280 nan 0.000 0.620 363 P HA 0.114 nan 4.420 nan 0.000 0.260 363 P C 0.981 178.404 177.300 0.204 0.000 1.185 363 P CA 1.669 64.857 63.100 0.148 0.000 0.763 363 P CB 0.588 32.337 31.700 0.082 0.000 0.776 364 G N 2.427 111.355 108.800 0.213 0.000 2.184 364 G HA2 -0.253 3.707 3.960 0.001 0.000 0.206 364 G HA3 -0.253 3.707 3.960 0.001 0.000 0.206 364 G C 0.828 175.874 174.900 0.244 0.000 0.995 364 G CA -0.023 45.191 45.100 0.190 0.000 0.651 364 G HN 0.524 nan 8.290 nan 0.000 0.511 365 W N 1.509 122.902 121.300 0.154 0.000 2.333 365 W HA -0.048 4.612 4.660 0.000 0.000 0.316 365 W C 2.179 178.807 176.519 0.180 0.000 1.215 365 W CA 2.199 59.657 57.345 0.189 0.000 1.278 365 W CB -0.154 29.377 29.460 0.118 0.000 1.154 365 W HN 0.235 nan 8.180 nan 0.000 0.486 366 N N 0.229 119.254 118.700 0.542 0.000 2.289 366 N HA -0.171 4.569 4.740 0.001 0.000 0.184 366 N C 0.980 176.555 175.510 0.109 0.000 1.016 366 N CA 1.697 54.972 53.050 0.375 0.000 0.872 366 N CB -0.468 38.244 38.487 0.376 0.000 0.973 366 N HN 0.283 nan 8.380 nan 0.000 0.433 367 D N -0.517 119.927 120.400 0.074 0.000 2.277 367 D HA -0.045 4.596 4.640 0.001 0.000 0.208 367 D C 1.908 178.154 176.300 -0.091 0.000 0.962 367 D CA 0.948 54.951 54.000 0.005 0.000 0.865 367 D CB 0.224 41.042 40.800 0.030 0.000 0.939 367 D HN 0.436 nan 8.370 nan 0.000 0.510 368 T N -2.803 111.648 114.554 -0.172 0.000 3.395 368 T HA -0.042 4.309 4.350 0.001 0.000 0.230 368 T C 1.913 176.291 174.700 -0.537 0.000 0.958 368 T CA -0.116 61.759 62.100 -0.375 0.000 1.377 368 T CB -0.872 67.725 68.868 -0.452 0.000 1.124 368 T HN 0.069 nan 8.240 nan 0.000 0.425 369 W N 1.937 122.877 121.300 -0.599 0.000 2.381 369 W HA 0.270 4.930 4.660 0.000 0.000 0.301 369 W C 2.860 178.945 176.519 -0.722 0.000 1.205 369 W CA 0.566 57.434 57.345 -0.793 0.000 1.285 369 W CB -0.740 27.912 29.460 -1.347 0.000 1.133 369 W HN 0.538 nan 8.180 nan 0.000 0.521 370 G N 0.012 108.393 108.800 -0.699 0.000 2.450 370 G HA2 -0.265 3.696 3.960 0.001 0.000 0.220 370 G HA3 -0.265 3.696 3.960 0.001 0.000 0.220 370 G C 1.468 176.375 174.900 0.012 0.000 1.130 370 G CA 0.853 45.843 45.100 -0.183 0.000 0.760 370 G HN 0.167 nan 8.290 nan 0.000 0.557 371 Q N 0.234 119.981 119.800 -0.090 0.000 2.030 371 Q HA -0.146 4.194 4.340 0.001 0.000 0.204 371 Q C 2.908 178.866 176.000 -0.069 0.000 0.986 371 Q CA 1.593 57.353 55.803 -0.072 0.000 0.843 371 Q CB -1.029 27.631 28.738 -0.129 0.000 0.904 371 Q HN 0.545 nan 8.270 nan 0.000 0.420 372 C N -0.688 118.530 119.300 -0.136 0.000 2.413 372 C HA -0.158 4.302 4.460 0.001 0.000 0.276 372 C C 2.417 177.321 174.990 -0.144 0.000 1.236 372 C CA 0.311 59.212 59.018 -0.195 0.000 1.735 372 C CB -1.539 26.017 27.740 -0.307 0.000 2.031 372 C HN 0.594 nan 8.230 nan 0.000 0.474 373 W N 1.182 122.473 121.300 -0.014 0.000 2.421 373 W HA -0.078 4.582 4.660 0.001 0.000 0.270 373 W C 2.115 178.641 176.519 0.013 0.000 1.233 373 W CA 0.748 58.103 57.345 0.018 0.000 1.226 373 W CB -0.429 29.073 29.460 0.070 0.000 1.121 373 W HN 0.383 nan 8.180 nan 0.000 0.579 374 D N -0.159 120.349 120.400 0.181 0.000 2.097 374 D HA -0.157 4.483 4.640 0.001 0.000 0.197 374 D C 2.289 178.623 176.300 0.056 0.000 0.984 374 D CA 1.504 55.556 54.000 0.086 0.000 0.826 374 D CB -0.736 40.095 40.800 0.051 0.000 0.973 374 D HN -0.009 nan 8.370 nan 0.000 0.460 375 V N 1.851 121.786 119.914 0.035 0.000 2.343 375 V HA -0.216 3.904 4.120 0.001 0.000 0.247 375 V C 2.503 178.639 176.094 0.069 0.000 1.051 375 V CA 0.955 63.269 62.300 0.022 0.000 1.036 375 V CB -0.274 31.538 31.823 -0.018 0.000 0.654 375 V HN 0.175 nan 8.190 nan 0.000 0.451 376 I N 0.464 121.104 120.570 0.118 0.000 2.163 376 I HA -0.218 3.952 4.170 0.001 0.000 0.243 376 I C 2.558 178.822 176.117 0.246 0.000 1.085 376 I CA 2.091 63.526 61.300 0.225 0.000 1.347 376 I CB -1.766 36.410 38.000 0.293 0.000 1.044 376 I HN 0.349 nan 8.210 nan 0.000 0.408 377 T N 0.840 115.534 114.554 0.233 0.000 2.708 377 T HA -0.167 4.183 4.350 0.001 0.000 0.266 377 T C 1.545 176.263 174.700 0.030 0.000 1.037 377 T CA 1.576 63.759 62.100 0.138 0.000 1.146 377 T CB -0.306 68.536 68.868 -0.043 0.000 0.865 377 T HN 0.283 nan 8.240 nan 0.000 0.435 378 D N 1.265 121.675 120.400 0.016 0.000 2.116 378 D HA -0.094 4.547 4.640 0.001 0.000 0.193 378 D C 2.014 178.320 176.300 0.011 0.000 0.998 378 D CA 1.080 55.085 54.000 0.007 0.000 0.836 378 D CB -0.639 40.166 40.800 0.008 0.000 0.951 378 D HN 0.488 nan 8.370 nan 0.000 0.449 379 N N 0.025 118.742 118.700 0.027 0.000 2.166 379 N HA -0.085 4.656 4.740 0.001 0.000 0.186 379 N C 1.983 177.487 175.510 -0.010 0.000 1.019 379 N CA 0.414 53.473 53.050 0.015 0.000 0.856 379 N CB -0.020 38.491 38.487 0.039 0.000 0.993 379 N HN 0.121 nan 8.380 nan 0.000 0.426 380 L N 0.219 121.443 121.223 0.001 0.000 2.109 380 L HA -0.087 4.254 4.340 0.001 0.000 0.207 380 L C 2.156 178.973 176.870 -0.088 0.000 1.086 380 L CA 0.601 55.399 54.840 -0.071 0.000 0.760 380 L CB -0.279 41.739 42.059 -0.069 0.000 0.910 380 L HN 0.058 nan 8.230 nan 0.000 0.437 381 V N -0.141 119.746 119.914 -0.046 0.000 2.358 381 V HA -0.208 3.912 4.120 0.001 0.000 0.246 381 V C 1.490 177.567 176.094 -0.028 0.000 1.047 381 V CA 1.484 63.769 62.300 -0.026 0.000 1.035 381 V CB -0.511 31.322 31.823 0.017 0.000 0.658 381 V HN 0.498 nan 8.190 nan 0.000 0.452 382 N N 0.515 119.201 118.700 -0.024 0.000 2.362 382 N HA 0.124 4.864 4.740 0.001 0.000 0.211 382 N C 1.322 176.809 175.510 -0.039 0.000 1.170 382 N CA 0.878 53.914 53.050 -0.025 0.000 0.828 382 N CB 0.369 38.846 38.487 -0.015 0.000 1.034 382 N HN 0.568 nan 8.380 nan 0.000 0.475 383 G N 1.274 110.039 108.800 -0.059 0.000 2.273 383 G HA2 -0.311 3.649 3.960 0.001 0.000 0.280 383 G HA3 -0.311 3.649 3.960 0.001 0.000 0.280 383 G C 0.117 174.973 174.900 -0.073 0.000 1.047 383 G CA 0.147 45.202 45.100 -0.075 0.000 0.869 383 G HN 0.373 nan 8.290 nan 0.000 0.502 384 K N 0.050 120.409 120.400 -0.069 0.000 3.122 384 K HA 0.214 4.534 4.320 0.001 0.000 0.193 384 K C -1.428 175.129 176.600 -0.072 0.000 1.141 384 K CA -1.229 55.022 56.287 -0.061 0.000 0.975 384 K CB 1.769 34.246 32.500 -0.038 0.000 1.173 384 K HN 0.199 nan 8.250 nan 0.000 0.546 385 P HA -0.230 nan 4.420 nan 0.000 0.220 385 P C 1.039 178.257 177.300 -0.137 0.000 1.148 385 P CA 1.180 64.190 63.100 -0.150 0.000 0.803 385 P CB 0.309 31.863 31.700 -0.244 0.000 0.782 386 E N 0.972 121.100 120.200 -0.120 0.000 2.273 386 E HA -0.168 4.183 4.350 0.001 0.000 0.198 386 E C 1.709 178.243 176.600 -0.110 0.000 1.002 386 E CA 1.002 57.332 56.400 -0.117 0.000 0.828 386 E CB -1.161 28.485 29.700 -0.090 0.000 0.747 386 E HN 0.347 nan 8.360 nan 0.000 0.491 387 L N 1.589 122.768 121.223 -0.073 0.000 2.591 387 L HA 0.079 4.420 4.340 0.001 0.000 0.228 387 L C 1.908 178.784 176.870 0.010 0.000 1.133 387 L CA 0.976 55.801 54.840 -0.025 0.000 0.880 387 L CB -0.018 42.042 42.059 0.001 0.000 1.033 387 L HN 0.207 nan 8.230 nan 0.000 0.450 388 T N -3.320 111.169 114.554 -0.109 0.000 3.054 388 T HA 0.227 4.577 4.350 0.001 0.000 0.255 388 T C 0.313 174.448 174.700 -0.942 0.000 1.035 388 T CA -0.186 61.797 62.100 -0.195 0.000 0.941 388 T CB -0.038 68.893 68.868 0.105 0.000 1.026 388 T HN 0.013 nan 8.240 nan 0.000 0.533 389 V N -0.963 118.466 119.914 -0.809 0.000 2.769 389 V HA 0.829 4.949 4.120 0.001 0.000 0.312 389 V C -2.906 172.795 176.094 -0.655 0.000 1.061 389 V CA -2.814 58.935 62.300 -0.919 0.000 0.931 389 V CB 2.101 33.602 31.823 -0.537 0.000 1.010 389 V HN -0.016 nan 8.190 nan 0.000 0.433 390 P HA 0.482 nan 4.420 nan 0.000 0.279 390 P C -0.465 176.686 177.300 -0.248 0.000 1.276 390 P CA -0.204 62.630 63.100 -0.444 0.000 0.801 390 P CB 1.719 32.832 31.700 -0.978 0.000 1.127 391 E N -1.540 118.587 120.200 -0.123 0.000 2.759 391 E HA 0.180 4.530 4.350 0.001 0.000 0.220 391 E C 0.036 176.625 176.600 -0.018 0.000 0.974 391 E CA 0.004 56.367 56.400 -0.062 0.000 1.148 391 E CB 1.060 30.729 29.700 -0.051 0.000 1.059 391 E HN 0.410 nan 8.360 nan 0.000 0.493 392 T N -0.432 114.140 114.554 0.029 0.000 2.731 392 T HA 0.495 4.845 4.350 0.001 0.000 0.300 392 T C -1.675 173.136 174.700 0.185 0.000 1.283 392 T CA -0.562 61.562 62.100 0.041 0.000 1.005 392 T CB 0.985 69.873 68.868 0.034 0.000 1.420 392 T HN -0.043 nan 8.240 nan 0.000 0.503 393 L N 3.112 124.330 121.223 -0.008 0.000 2.334 393 L HA 0.583 4.923 4.340 0.001 0.000 0.275 393 L C -1.763 174.996 176.870 -0.185 0.000 1.036 393 L CA -1.975 52.805 54.840 -0.100 0.000 0.807 393 L CB 1.699 43.568 42.059 -0.317 0.000 1.231 393 L HN 0.560 nan 8.230 nan 0.000 0.438 394 P HA 0.157 nan 4.420 nan 0.000 0.278 394 P C -0.744 176.322 177.300 -0.390 0.000 1.258 394 P CA -0.464 62.304 63.100 -0.552 0.000 0.811 394 P CB 0.762 31.803 31.700 -1.098 0.000 1.063 395 T N 2.298 116.681 114.554 -0.285 0.000 2.870 395 T HA 0.229 4.580 4.350 0.001 0.000 0.300 395 T C 0.512 175.075 174.700 -0.227 0.000 0.989 395 T CA 0.090 62.040 62.100 -0.250 0.000 1.139 395 T CB -0.151 68.587 68.868 -0.217 0.000 0.920 395 T HN 0.167 nan 8.240 nan 0.000 0.537 396 I N 2.139 122.595 120.570 -0.190 0.000 2.392 396 I HA 0.224 4.395 4.170 0.001 0.000 0.295 396 I C 0.927 177.020 176.117 -0.041 0.000 0.985 396 I CA -0.993 60.237 61.300 -0.116 0.000 1.221 396 I CB 1.139 39.095 38.000 -0.075 0.000 1.366 396 I HN 0.721 nan 8.210 nan 0.000 0.467 397 C N 6.476 125.785 119.300 0.015 0.000 2.632 397 C HA 0.118 4.579 4.460 0.001 0.000 0.415 397 C C 1.829 176.850 174.990 0.053 0.000 1.332 397 C CA -0.309 58.741 59.018 0.053 0.000 1.874 397 C CB -0.598 27.235 27.740 0.156 0.000 2.596 397 C HN 0.741 nan 8.230 nan 0.000 0.590 398 N N 3.235 121.874 118.700 -0.102 0.000 2.571 398 N HA -0.079 4.661 4.740 0.001 0.000 0.189 398 N C 1.022 176.679 175.510 0.245 0.000 1.154 398 N CA 0.769 53.838 53.050 0.032 0.000 0.907 398 N CB 0.098 38.508 38.487 -0.127 0.000 0.977 398 N HN 0.805 nan 8.380 nan 0.000 0.449 399 M N 0.274 120.060 119.600 0.309 0.000 2.962 399 M HA 0.040 4.520 4.480 0.001 0.000 0.242 399 M C 2.248 178.656 176.300 0.180 0.000 1.396 399 M CA 0.989 56.435 55.300 0.244 0.000 1.287 399 M CB -0.747 32.025 32.600 0.286 0.000 1.168 399 M HN 0.148 nan 8.290 nan 0.000 0.557 400 C N 0.546 119.967 119.300 0.201 0.000 2.539 400 C HA 0.305 4.765 4.460 0.001 0.000 0.268 400 C C 0.801 175.884 174.990 0.155 0.000 1.395 400 C CA 0.167 59.274 59.018 0.148 0.000 1.757 400 C CB -1.762 26.041 27.740 0.105 0.000 1.851 400 C HN 0.738 nan 8.230 nan 0.000 0.545 401 N N 0.732 119.539 118.700 0.178 0.000 2.725 401 N HA -0.147 4.593 4.740 0.001 0.000 0.249 401 N C -0.538 175.094 175.510 0.203 0.000 1.103 401 N CA 1.115 54.286 53.050 0.203 0.000 0.707 401 N CB -1.164 37.479 38.487 0.261 0.000 1.043 401 N HN 0.663 nan 8.380 nan 0.000 0.553 402 L N -0.234 121.070 121.223 0.135 0.000 2.319 402 L HA 0.570 4.910 4.340 0.001 0.000 0.267 402 L C -2.114 174.731 176.870 -0.042 0.000 1.011 402 L CA -1.955 52.943 54.840 0.096 0.000 0.818 402 L CB 1.465 43.582 42.059 0.098 0.000 1.316 402 L HN -0.274 nan 8.230 nan 0.000 0.432 403 P HA 0.090 nan 4.420 nan 0.000 0.268 403 P C -0.684 176.568 177.300 -0.080 0.000 1.205 403 P CA 0.159 63.108 63.100 -0.250 0.000 0.771 403 P CB 0.409 31.856 31.700 -0.421 0.000 0.858 404 I N 2.432 122.969 120.570 -0.055 0.000 2.294 404 I HA 0.384 4.554 4.170 0.001 0.000 0.295 404 I C 0.522 176.684 176.117 0.075 0.000 1.098 404 I CA 0.241 61.572 61.300 0.052 0.000 1.277 404 I CB -0.161 37.877 38.000 0.063 0.000 1.434 404 I HN 0.330 nan 8.210 nan 0.000 0.498 405 A N 5.481 128.394 122.820 0.155 0.000 2.498 405 A HA 0.869 5.190 4.320 0.001 0.000 0.298 405 A C -1.222 176.612 177.584 0.416 0.000 1.075 405 A CA -0.337 51.840 52.037 0.233 0.000 0.714 405 A CB 1.891 21.017 19.000 0.210 0.000 1.299 405 A HN 0.707 nan 8.150 nan 0.000 0.407 406 H N -0.912 118.316 119.070 0.264 0.000 3.001 406 H HA 0.507 5.064 4.556 0.001 0.000 0.266 406 H C -0.357 175.014 175.328 0.071 0.000 1.532 406 H CA 0.384 56.608 56.048 0.294 0.000 1.187 406 H CB 0.870 30.738 29.762 0.176 0.000 1.881 406 H HN 0.657 nan 8.280 nan 0.000 0.643 407 T N 4.710 119.065 114.554 -0.330 0.000 2.800 407 T HA 0.157 4.508 4.350 0.001 0.000 0.283 407 T C -2.355 172.076 174.700 -0.448 0.000 0.999 407 T CA -0.309 61.440 62.100 -0.584 0.000 1.176 407 T CB 0.167 68.834 68.868 -0.335 0.000 0.973 407 T HN 0.302 nan 8.240 nan 0.000 0.519 408 P HA 0.650 nan 4.420 nan 0.000 0.330 408 P C 0.753 177.886 177.300 -0.279 0.000 1.274 408 P CA -0.139 62.778 63.100 -0.305 0.000 0.802 408 P CB 1.274 32.700 31.700 -0.455 0.000 1.384 409 G N 0.502 109.179 108.800 -0.204 0.000 2.574 409 G HA2 -0.321 3.639 3.960 0.001 0.000 0.286 409 G HA3 -0.321 3.639 3.960 0.001 0.000 0.286 409 G C 0.946 175.795 174.900 -0.085 0.000 1.212 409 G CA 0.535 45.532 45.100 -0.171 0.000 0.979 409 G HN 0.569 nan 8.290 nan 0.000 0.557 410 N N 1.238 119.892 118.700 -0.077 0.000 2.453 410 N HA -0.034 4.707 4.740 0.001 0.000 0.183 410 N C 1.256 176.770 175.510 0.006 0.000 1.041 410 N CA 1.436 54.470 53.050 -0.027 0.000 0.900 410 N CB -0.023 38.451 38.487 -0.021 0.000 0.961 410 N HN 0.611 nan 8.380 nan 0.000 0.443 411 K N -0.272 120.122 120.400 -0.010 0.000 3.084 411 K HA 0.057 4.377 4.320 0.001 0.000 0.210 411 K C -0.868 175.756 176.600 0.040 0.000 1.137 411 K CA -0.631 55.665 56.287 0.015 0.000 1.010 411 K CB 0.168 32.661 32.500 -0.012 0.000 0.806 411 K HN 0.049 nan 8.250 nan 0.000 0.460 412 W N 2.338 123.567 121.300 -0.118 0.000 2.513 412 W HA -0.135 4.526 4.660 0.001 0.000 0.339 412 W C 0.175 176.670 176.519 -0.041 0.000 1.257 412 W CA 0.858 58.136 57.345 -0.112 0.000 1.280 412 W CB 0.083 29.486 29.460 -0.095 0.000 1.214 412 W HN 0.243 nan 8.180 nan 0.000 0.567 413 N N 4.969 123.424 118.700 -0.408 0.000 2.622 413 N HA 0.088 4.828 4.740 0.001 0.000 0.293 413 N C -1.962 173.384 175.510 -0.273 0.000 1.788 413 N CA -0.264 52.577 53.050 -0.348 0.000 0.860 413 N CB 0.051 38.530 38.487 -0.012 0.000 1.388 413 N HN 0.031 nan 8.380 nan 0.000 0.496 414 V N 1.534 121.077 119.914 -0.617 0.000 2.432 414 V HA 0.397 4.517 4.120 0.001 0.000 0.271 414 V C 0.172 176.093 176.094 -0.289 0.000 1.046 414 V CA -0.031 62.128 62.300 -0.235 0.000 0.945 414 V CB 0.927 32.731 31.823 -0.032 0.000 0.992 414 V HN 0.148 nan 8.190 nan 0.000 0.471 415 K N 3.020 123.328 120.400 -0.152 0.000 2.435 415 K HA 0.557 4.877 4.320 0.001 0.000 0.251 415 K C -1.353 175.165 176.600 -0.137 0.000 0.954 415 K CA -0.948 55.204 56.287 -0.226 0.000 0.820 415 K CB 2.508 34.791 32.500 -0.361 0.000 1.292 415 K HN 0.552 nan 8.250 nan 0.000 0.436 416 D N 1.416 121.698 120.400 -0.197 0.000 2.492 416 D HA 0.200 4.841 4.640 0.001 0.000 0.248 416 D C -1.274 174.938 176.300 -0.147 0.000 1.101 416 D CA -0.466 53.520 54.000 -0.024 0.000 0.840 416 D CB 0.714 41.557 40.800 0.072 0.000 1.209 416 D HN 0.384 nan 8.370 nan 0.000 0.524 417 Y N 2.656 123.037 120.300 0.135 0.000 2.817 417 Y HA 0.214 4.764 4.550 0.001 0.000 0.339 417 Y C 1.094 177.119 175.900 0.208 0.000 1.281 417 Y CA -0.628 57.561 58.100 0.147 0.000 1.564 417 Y CB 0.179 38.733 38.460 0.156 0.000 1.628 417 Y HN 0.132 nan 8.280 nan 0.000 0.489 418 Q N 1.829 121.716 119.800 0.145 0.000 2.474 418 Q HA 0.361 4.702 4.340 0.001 0.000 0.256 418 Q C -1.010 175.068 176.000 0.129 0.000 1.048 418 Q CA -0.192 55.630 55.803 0.032 0.000 0.922 418 Q CB 0.980 29.652 28.738 -0.110 0.000 1.288 418 Q HN 0.519 nan 8.270 nan 0.000 0.484 419 L N 0.411 121.697 121.223 0.106 0.000 2.588 419 L HA 0.287 4.628 4.340 0.001 0.000 0.263 419 L C -1.577 175.409 176.870 0.193 0.000 0.935 419 L CA -0.086 54.855 54.840 0.169 0.000 0.891 419 L CB 2.230 44.422 42.059 0.222 0.000 1.318 419 L HN 0.639 nan 8.230 nan 0.000 0.409 420 E N 3.597 123.905 120.200 0.179 0.000 2.156 420 E HA 0.334 4.684 4.350 0.001 0.000 0.279 420 E C -2.059 174.734 176.600 0.321 0.000 0.965 420 E CA -0.573 55.945 56.400 0.198 0.000 0.789 420 E CB 1.113 30.875 29.700 0.102 0.000 1.098 420 E HN 0.592 nan 8.360 nan 0.000 0.397 421 Y N 3.556 124.021 120.300 0.275 0.000 2.331 421 Y HA 0.142 4.693 4.550 0.001 0.000 0.326 421 Y C -0.778 175.292 175.900 0.282 0.000 1.020 421 Y CA -0.694 57.582 58.100 0.294 0.000 1.136 421 Y CB 1.022 39.705 38.460 0.373 0.000 1.157 421 Y HN 0.730 nan 8.280 nan 0.000 0.444 422 E N 4.276 124.339 120.200 -0.229 0.000 2.228 422 E HA -0.278 4.072 4.350 0.001 0.000 0.213 422 E C 1.064 177.668 176.600 0.007 0.000 1.282 422 E CA 1.002 57.304 56.400 -0.163 0.000 0.707 422 E CB -1.334 28.223 29.700 -0.238 0.000 1.150 422 E HN 1.268 nan 8.360 nan 0.000 0.362 423 G N 0.242 109.057 108.800 0.024 0.000 2.179 423 G HA2 -0.393 3.567 3.960 0.001 0.000 0.260 423 G HA3 -0.393 3.567 3.960 0.001 0.000 0.260 423 G C 0.264 175.178 174.900 0.023 0.000 0.977 423 G CA 0.591 45.706 45.100 0.025 0.000 0.641 423 G HN 0.444 nan 8.290 nan 0.000 0.533 424 R N -0.423 120.108 120.500 0.051 0.000 2.711 424 R HA 0.731 5.071 4.340 0.001 0.000 0.284 424 R C -0.957 175.264 176.300 -0.132 0.000 0.968 424 R CA -1.024 55.024 56.100 -0.085 0.000 0.924 424 R CB 0.972 31.155 30.300 -0.195 0.000 1.162 424 R HN 0.252 nan 8.270 nan 0.000 0.465 425 L N 4.443 125.527 121.223 -0.230 0.000 2.265 425 L HA 0.398 4.738 4.340 0.001 0.000 0.289 425 L C -1.660 174.969 176.870 -0.403 0.000 1.033 425 L CA -0.220 54.496 54.840 -0.207 0.000 0.814 425 L CB 0.726 42.706 42.059 -0.132 0.000 1.203 425 L HN 0.558 nan 8.230 nan 0.000 0.423 426 Y N 3.298 123.427 120.300 -0.286 0.000 2.457 426 Y HA 0.552 5.102 4.550 0.001 0.000 0.333 426 Y C -0.275 175.183 175.900 -0.738 0.000 1.119 426 Y CA -0.412 57.415 58.100 -0.454 0.000 1.143 426 Y CB 1.372 39.487 38.460 -0.575 0.000 1.230 426 Y HN 0.567 nan 8.280 nan 0.000 0.469 427 H N 1.426 120.209 119.070 -0.479 0.000 2.495 427 H HA 0.550 5.106 4.556 0.001 0.000 0.348 427 H C -1.531 173.394 175.328 -0.673 0.000 1.113 427 H CA -0.882 54.944 56.048 -0.371 0.000 1.195 427 H CB 1.127 30.780 29.762 -0.182 0.000 1.521 427 H HN 0.399 nan 8.280 nan 0.000 0.509 428 F N -0.251 119.818 119.950 0.198 0.000 2.556 428 F HA 0.365 4.893 4.527 0.001 0.000 0.314 428 F C 1.325 177.279 175.800 0.257 0.000 1.106 428 F CA -0.901 57.211 58.000 0.187 0.000 0.911 428 F CB 2.130 41.210 39.000 0.133 0.000 1.190 428 F HN 0.753 nan 8.300 nan 0.000 0.448 429 G N 0.442 109.474 108.800 0.387 0.000 2.848 429 G HA2 0.327 4.288 3.960 0.001 0.000 0.208 429 G HA3 0.327 4.288 3.960 0.001 0.000 0.208 429 G C -0.003 175.098 174.900 0.334 0.000 1.152 429 G CA 0.794 46.090 45.100 0.326 0.000 0.789 429 G HN 0.701 nan 8.290 nan 0.000 0.531 430 S N -2.061 113.768 115.700 0.215 0.000 2.643 430 S HA 0.320 4.791 4.470 0.001 0.000 0.266 430 S C 0.310 174.384 174.600 -0.876 0.000 1.130 430 S CA -0.075 57.937 58.200 -0.315 0.000 0.817 430 S CB 1.309 64.551 63.200 0.071 0.000 1.107 430 S HN -0.051 nan 8.310 nan 0.000 0.471 431 E N 1.190 120.650 120.200 -1.234 0.000 2.051 431 E HA 0.066 4.417 4.350 0.001 0.000 0.192 431 E C 2.139 178.575 176.600 -0.272 0.000 0.991 431 E CA 2.268 58.228 56.400 -0.733 0.000 0.799 431 E CB -0.744 28.737 29.700 -0.364 0.000 0.748 431 E HN 0.810 nan 8.360 nan 0.000 0.449 432 A N 0.745 123.271 122.820 -0.491 0.000 1.933 432 A HA -0.196 4.125 4.320 0.001 0.000 0.218 432 A C 1.940 179.325 177.584 -0.332 0.000 1.175 432 A CA 1.794 53.496 52.037 -0.557 0.000 0.628 432 A CB -0.637 17.064 19.000 -2.165 0.000 0.814 432 A HN 0.295 nan 8.150 nan 0.000 0.444 433 D N -0.768 119.469 120.400 -0.271 0.000 2.117 433 D HA -0.164 4.477 4.640 0.001 0.000 0.197 433 D C 2.134 178.241 176.300 -0.323 0.000 0.987 433 D CA 1.433 55.442 54.000 0.015 0.000 0.829 433 D CB -0.222 40.761 40.800 0.305 0.000 0.961 433 D HN 0.534 nan 8.370 nan 0.000 0.460 434 R N -0.319 119.860 120.500 -0.534 0.000 2.092 434 R HA -0.166 4.174 4.340 0.001 0.000 0.231 434 R C 2.243 178.242 176.300 -0.502 0.000 1.119 434 R CA 1.162 56.594 56.100 -1.114 0.000 0.970 434 R CB -0.401 29.580 30.300 -0.532 0.000 0.864 434 R HN 0.188 nan 8.270 nan 0.000 0.440 435 W N 0.816 121.913 121.300 -0.338 0.000 2.335 435 W HA -0.237 4.423 4.660 0.001 0.000 0.311 435 W C 1.993 178.434 176.519 -0.130 0.000 1.213 435 W CA 1.332 58.571 57.345 -0.178 0.000 1.274 435 W CB -0.703 28.756 29.460 -0.002 0.000 1.148 435 W HN 0.124 nan 8.180 nan 0.000 0.498 436 C N -0.063 119.144 119.300 -0.156 0.000 2.403 436 C HA -0.223 4.237 4.460 0.001 0.000 0.277 436 C C 2.608 177.359 174.990 -0.399 0.000 1.248 436 C CA 1.318 60.148 59.018 -0.313 0.000 1.762 436 C CB -1.985 25.685 27.740 -0.117 0.000 2.014 436 C HN 0.482 nan 8.230 nan 0.000 0.486 437 F N 1.235 120.836 119.950 -0.581 0.000 2.128 437 F HA -0.147 4.381 4.527 0.001 0.000 0.295 437 F C 2.625 178.181 175.800 -0.406 0.000 1.100 437 F CA 1.635 59.319 58.000 -0.526 0.000 1.260 437 F CB -0.503 38.144 39.000 -0.588 0.000 1.009 437 F HN 0.224 nan 8.300 nan 0.000 0.476 438 Q N 0.472 120.175 119.800 -0.161 0.000 2.226 438 Q HA -0.160 4.181 4.340 0.001 0.000 0.204 438 Q C 2.246 178.062 176.000 -0.307 0.000 0.975 438 Q CA 1.865 57.558 55.803 -0.183 0.000 0.866 438 Q CB -0.382 28.298 28.738 -0.096 0.000 0.915 438 Q HN 0.716 nan 8.270 nan 0.000 0.440 439 I N -2.474 117.816 120.570 -0.466 0.000 3.111 439 I HA 0.052 4.223 4.170 0.001 0.000 0.272 439 I C 0.186 176.119 176.117 -0.307 0.000 1.268 439 I CA 0.690 61.733 61.300 -0.428 0.000 1.467 439 I CB 0.309 37.903 38.000 -0.677 0.000 1.087 439 I HN -0.110 nan 8.210 nan 0.000 0.467 440 D N 1.174 121.383 120.400 -0.320 0.000 3.449 440 D HA 0.163 4.803 4.640 0.001 0.000 0.262 440 D C -1.706 174.363 176.300 -0.386 0.000 1.343 440 D CA -1.344 52.496 54.000 -0.268 0.000 0.787 440 D CB 0.739 41.428 40.800 -0.185 0.000 1.412 440 D HN -0.006 nan 8.370 nan 0.000 0.652 441 P HA -0.162 nan 4.420 nan 0.000 0.216 441 P C 1.017 177.971 177.300 -0.576 0.000 1.150 441 P CA 0.969 63.458 63.100 -1.019 0.000 0.837 441 P CB 0.554 31.632 31.700 -1.036 0.000 0.786 442 E N -0.126 119.895 120.200 -0.297 0.000 2.268 442 E HA -0.159 4.191 4.350 0.001 0.000 0.195 442 E C 2.188 178.660 176.600 -0.212 0.000 0.995 442 E CA 0.628 56.934 56.400 -0.157 0.000 0.836 442 E CB -0.565 29.079 29.700 -0.094 0.000 0.763 442 E HN 0.394 nan 8.360 nan 0.000 0.491 443 R N -0.327 119.952 120.500 -0.369 0.000 2.153 443 R HA -0.098 4.243 4.340 0.001 0.000 0.218 443 R C 1.051 176.955 176.300 -0.659 0.000 1.072 443 R CA 1.017 56.777 56.100 -0.567 0.000 0.990 443 R CB 0.121 29.917 30.300 -0.839 0.000 0.889 443 R HN 0.173 nan 8.270 nan 0.000 0.452 444 Y N -0.814 119.373 120.300 -0.188 0.000 2.467 444 Y HA 0.241 4.792 4.550 0.001 0.000 0.259 444 Y C 1.807 177.814 175.900 0.179 0.000 1.084 444 Y CA -0.459 57.633 58.100 -0.014 0.000 1.275 444 Y CB -0.082 38.393 38.460 0.026 0.000 1.208 444 Y HN -0.140 nan 8.280 nan 0.000 0.511 445 K N 1.654 122.173 120.400 0.198 0.000 2.037 445 K HA -0.339 3.981 4.320 0.001 0.000 0.229 445 K C 1.040 177.938 176.600 0.496 0.000 1.040 445 K CA 2.657 59.169 56.287 0.374 0.000 0.981 445 K CB -0.409 32.255 32.500 0.273 0.000 0.749 445 K HN 0.503 nan 8.250 nan 0.000 0.451 446 N N -0.080 118.828 118.700 0.347 0.000 2.276 446 N HA -0.074 4.666 4.740 0.001 0.000 0.212 446 N C 0.084 175.764 175.510 0.283 0.000 1.127 446 N CA -0.018 53.210 53.050 0.296 0.000 0.834 446 N CB -0.273 38.334 38.487 0.200 0.000 1.014 446 N HN 0.306 nan 8.380 nan 0.000 0.491 447 H N 0.916 120.151 119.070 0.275 0.000 2.615 447 H HA 0.248 4.805 4.556 0.001 0.000 0.363 447 H C -0.724 174.753 175.328 0.248 0.000 1.148 447 H CA 0.456 56.650 56.048 0.243 0.000 1.401 447 H CB 1.005 30.930 29.762 0.273 0.000 1.461 447 H HN 0.266 nan 8.280 nan 0.000 0.588 448 T N 2.363 116.627 114.554 -0.484 0.000 2.848 448 T HA 0.286 4.637 4.350 0.001 0.000 0.285 448 T C -0.078 174.472 174.700 -0.251 0.000 0.995 448 T CA -1.231 60.750 62.100 -0.199 0.000 0.970 448 T CB 1.302 70.118 68.868 -0.085 0.000 0.976 448 T HN 0.724 nan 8.240 nan 0.000 0.441 449 N N 2.332 121.051 118.700 0.032 0.000 2.364 449 N HA 0.274 5.014 4.740 0.001 0.000 0.264 449 N C 1.152 176.722 175.510 0.100 0.000 1.263 449 N CA -1.138 51.995 53.050 0.137 0.000 0.959 449 N CB 0.204 38.792 38.487 0.169 0.000 1.204 449 N HN 0.445 nan 8.380 nan 0.000 0.550 450 L N -0.012 121.299 121.223 0.146 0.000 2.043 450 L HA -0.155 4.185 4.340 0.001 0.000 0.212 450 L C 1.754 178.673 176.870 0.080 0.000 1.075 450 L CA 1.573 56.500 54.840 0.145 0.000 0.752 450 L CB -0.418 41.746 42.059 0.175 0.000 0.891 450 L HN 0.566 nan 8.230 nan 0.000 0.432 451 V N -0.441 119.490 119.914 0.028 0.000 2.358 451 V HA -0.265 3.856 4.120 0.001 0.000 0.246 451 V C 2.224 178.353 176.094 0.058 0.000 1.047 451 V CA 1.890 64.198 62.300 0.013 0.000 1.035 451 V CB -0.836 30.941 31.823 -0.076 0.000 0.658 451 V HN 0.470 nan 8.190 nan 0.000 0.452 452 D N 0.159 120.575 120.400 0.026 0.000 2.123 452 D HA -0.172 4.468 4.640 0.001 0.000 0.196 452 D C 2.383 178.690 176.300 0.012 0.000 0.992 452 D CA 1.336 55.342 54.000 0.011 0.000 0.833 452 D CB -0.206 40.594 40.800 0.000 0.000 0.954 452 D HN 0.440 nan 8.370 nan 0.000 0.455 453 R N -0.332 120.178 120.500 0.018 0.000 2.075 453 R HA -0.073 4.267 4.340 0.001 0.000 0.232 453 R C 2.325 178.595 176.300 -0.050 0.000 1.126 453 R CA 0.566 56.651 56.100 -0.025 0.000 0.963 453 R CB -0.473 29.805 30.300 -0.038 0.000 0.858 453 R HN 0.150 nan 8.270 nan 0.000 0.435 454 F N 1.628 121.496 119.950 -0.136 0.000 2.102 454 F HA -0.137 4.390 4.527 0.001 0.000 0.298 454 F C 1.835 177.581 175.800 -0.089 0.000 1.105 454 F CA 1.454 59.377 58.000 -0.129 0.000 1.239 454 F CB -0.076 38.867 39.000 -0.096 0.000 0.991 454 F HN -0.103 nan 8.300 nan 0.000 0.474 455 L N -0.264 120.994 121.223 0.060 0.000 2.376 455 L HA -0.128 4.212 4.340 0.001 0.000 0.219 455 L C 1.968 178.790 176.870 -0.081 0.000 1.133 455 L CA 0.995 55.827 54.840 -0.014 0.000 0.816 455 L CB -0.535 41.548 42.059 0.041 0.000 0.933 455 L HN 0.088 nan 8.230 nan 0.000 0.449 456 K N -0.117 120.233 120.400 -0.084 0.000 2.400 456 K HA 0.123 4.443 4.320 0.001 0.000 0.194 456 K C 1.224 177.758 176.600 -0.110 0.000 1.033 456 K CA 0.592 56.833 56.287 -0.077 0.000 1.021 456 K CB 0.396 32.866 32.500 -0.049 0.000 0.808 456 K HN 0.353 nan 8.250 nan 0.000 0.505 457 G N 1.743 110.433 108.800 -0.183 0.000 2.141 457 G HA2 -0.255 3.705 3.960 0.001 0.000 0.231 457 G HA3 -0.255 3.705 3.960 0.001 0.000 0.231 457 G C 0.391 175.189 174.900 -0.170 0.000 0.984 457 G CA 0.200 45.180 45.100 -0.200 0.000 0.660 457 G HN 0.418 nan 8.290 nan 0.000 0.525 458 E N -0.509 119.592 120.200 -0.166 0.000 2.427 458 E HA 0.181 4.531 4.350 0.001 0.000 0.196 458 E C 0.855 177.326 176.600 -0.215 0.000 1.028 458 E CA 0.322 56.644 56.400 -0.131 0.000 0.864 458 E CB 0.430 30.080 29.700 -0.083 0.000 0.813 458 E HN 0.615 nan 8.360 nan 0.000 0.514 459 I N 2.465 122.849 120.570 -0.310 0.000 2.328 459 I HA 0.160 4.330 4.170 0.001 0.000 0.287 459 I C -0.371 175.641 176.117 -0.175 0.000 1.012 459 I CA -0.495 60.620 61.300 -0.309 0.000 1.195 459 I CB 0.921 38.751 38.000 -0.283 0.000 1.350 459 I HN -0.148 nan 8.210 nan 0.000 0.464 460 Q N 7.215 126.983 119.800 -0.053 0.000 2.305 460 Q HA 0.480 4.820 4.340 0.001 0.000 0.271 460 Q C -2.357 173.664 176.000 0.036 0.000 1.046 460 Q CA -1.668 54.118 55.803 -0.029 0.000 0.798 460 Q CB 2.534 31.255 28.738 -0.029 0.000 1.286 460 Q HN 0.418 nan 8.270 nan 0.000 0.435 461 P HA 0.165 nan 4.420 nan 0.000 0.269 461 P C -0.666 176.640 177.300 0.009 0.000 1.209 461 P CA -0.269 62.839 63.100 0.013 0.000 0.776 461 P CB 0.603 32.322 31.700 0.032 0.000 0.876 462 A N 2.213 124.996 122.820 -0.062 0.000 3.051 462 A HA 0.290 4.611 4.320 0.001 0.000 0.257 462 A C 0.121 177.795 177.584 0.150 0.000 1.785 462 A CA -0.183 51.756 52.037 -0.163 0.000 1.420 462 A CB -1.342 17.419 19.000 -0.397 0.000 1.063 462 A HN 0.667 nan 8.150 nan 0.000 0.630 463 D N -1.477 119.100 120.400 0.295 0.000 2.752 463 D HA 0.276 4.916 4.640 0.001 0.000 0.313 463 D C 0.758 177.200 176.300 0.237 0.000 1.225 463 D CA -0.777 53.396 54.000 0.288 0.000 0.976 463 D CB 0.053 40.938 40.800 0.142 0.000 1.443 463 D HN -0.056 nan 8.370 nan 0.000 0.515 464 L N -0.150 121.143 121.223 0.117 0.000 2.046 464 L HA -0.110 4.231 4.340 0.001 0.000 0.208 464 L C 2.440 179.366 176.870 0.093 0.000 1.077 464 L CA 1.954 56.837 54.840 0.071 0.000 0.747 464 L CB -0.843 41.229 42.059 0.022 0.000 0.896 464 L HN 0.655 nan 8.230 nan 0.000 0.432 465 A N 0.336 123.205 122.820 0.081 0.000 1.933 465 A HA -0.126 4.195 4.320 0.001 0.000 0.218 465 A C 2.379 180.030 177.584 0.111 0.000 1.175 465 A CA 1.754 53.838 52.037 0.078 0.000 0.628 465 A CB -1.036 17.998 19.000 0.057 0.000 0.814 465 A HN 0.461 nan 8.150 nan 0.000 0.444 466 G N -0.717 108.163 108.800 0.133 0.000 2.394 466 G HA2 0.080 4.040 3.960 0.001 0.000 0.215 466 G HA3 0.080 4.040 3.960 0.001 0.000 0.215 466 G C 1.723 176.751 174.900 0.213 0.000 1.165 466 G CA 1.206 46.399 45.100 0.155 0.000 0.784 466 G HN 0.764 nan 8.290 nan 0.000 0.535 467 A N 0.557 123.516 122.820 0.233 0.000 1.933 467 A HA 0.111 4.431 4.320 0.001 0.000 0.218 467 A C 2.410 180.163 177.584 0.282 0.000 1.175 467 A CA 1.130 53.326 52.037 0.266 0.000 0.628 467 A CB -0.366 18.744 19.000 0.183 0.000 0.814 467 A HN 0.354 nan 8.150 nan 0.000 0.444 468 L N -1.224 120.122 121.223 0.206 0.000 2.046 468 L HA -0.187 4.154 4.340 0.001 0.000 0.208 468 L C 2.774 179.764 176.870 0.201 0.000 1.077 468 L CA 1.030 55.981 54.840 0.186 0.000 0.747 468 L CB -0.399 41.732 42.059 0.120 0.000 0.896 468 L HN 0.325 nan 8.230 nan 0.000 0.432 469 M N -1.429 118.286 119.600 0.192 0.000 2.200 469 M HA -0.212 4.269 4.480 0.001 0.000 0.265 469 M C 2.309 178.734 176.300 0.208 0.000 1.066 469 M CA 1.553 56.958 55.300 0.175 0.000 1.127 469 M CB -0.975 31.712 32.600 0.146 0.000 1.379 469 M HN 0.210 nan 8.290 nan 0.000 0.420 470 Y N 0.962 121.341 120.300 0.131 0.000 2.274 470 Y HA -0.118 4.432 4.550 0.001 0.000 0.290 470 Y C 1.824 177.817 175.900 0.156 0.000 1.145 470 Y CA 1.531 59.711 58.100 0.133 0.000 1.203 470 Y CB -0.187 38.361 38.460 0.146 0.000 0.984 470 Y HN 0.145 nan 8.280 nan 0.000 0.533 471 M N -0.731 118.999 119.600 0.217 0.000 2.505 471 M HA 0.092 4.573 4.480 0.001 0.000 0.230 471 M C 0.691 177.139 176.300 0.246 0.000 1.153 471 M CA 0.610 56.030 55.300 0.201 0.000 0.997 471 M CB 0.184 32.974 32.600 0.317 0.000 1.606 471 M HN 0.108 nan 8.290 nan 0.000 0.481 472 S N 0.869 116.677 115.700 0.180 0.000 3.445 472 S HA -0.130 4.341 4.470 0.001 0.000 0.319 472 S C 0.067 174.890 174.600 0.371 0.000 1.209 472 S CA 0.508 58.837 58.200 0.215 0.000 0.934 472 S CB -1.924 61.347 63.200 0.118 0.000 0.999 472 S HN 0.532 nan 8.310 nan 0.000 0.582 473 L N 1.204 122.603 121.223 0.295 0.000 2.289 473 L HA 0.546 4.887 4.340 0.001 0.000 0.285 473 L C 0.515 177.466 176.870 0.135 0.000 1.049 473 L CA 0.017 54.985 54.840 0.212 0.000 0.804 473 L CB 1.158 43.289 42.059 0.120 0.000 1.195 473 L HN 0.230 nan 8.230 nan 0.000 0.428 474 E N 3.511 123.774 120.200 0.106 0.000 2.393 474 E HA 0.411 4.762 4.350 0.001 0.000 0.273 474 E C -2.558 174.059 176.600 0.028 0.000 0.918 474 E CA -2.145 54.297 56.400 0.071 0.000 0.773 474 E CB 2.019 31.773 29.700 0.091 0.000 1.275 474 E HN 0.288 nan 8.360 nan 0.000 0.451 475 P HA -0.021 nan 4.420 nan 0.000 0.264 475 P C 0.458 177.757 177.300 -0.001 0.000 1.183 475 P CA 1.271 64.367 63.100 -0.007 0.000 0.763 475 P CB 0.433 32.132 31.700 -0.002 0.000 0.807 476 G N 1.366 110.152 108.800 -0.022 0.000 2.436 476 G HA2 -0.250 3.710 3.960 0.001 0.000 0.204 476 G HA3 -0.250 3.710 3.960 0.001 0.000 0.204 476 G C 0.681 175.557 174.900 -0.040 0.000 1.026 476 G CA 0.287 45.379 45.100 -0.012 0.000 0.658 476 G HN 0.538 nan 8.290 nan 0.000 0.499 477 V N -1.451 118.422 119.914 -0.068 0.000 3.307 477 V HA 0.575 4.696 4.120 0.001 0.000 0.244 477 V C 1.535 177.487 176.094 -0.237 0.000 1.196 477 V CA 0.970 63.168 62.300 -0.170 0.000 1.132 477 V CB -0.203 31.475 31.823 -0.240 0.000 0.875 477 V HN 0.316 nan 8.190 nan 0.000 0.468 478 M N 2.702 122.196 119.600 -0.177 0.000 2.261 478 M HA 0.305 4.785 4.480 0.001 0.000 0.350 478 M C 0.981 177.140 176.300 -0.235 0.000 1.343 478 M CA 1.153 56.335 55.300 -0.196 0.000 1.003 478 M CB 0.087 32.613 32.600 -0.123 0.000 1.848 478 M HN 0.477 nan 8.290 nan 0.000 0.456 479 G N 1.976 110.581 108.800 -0.325 0.000 2.569 479 G HA2 0.320 4.281 3.960 0.001 0.000 0.249 479 G HA3 0.320 4.281 3.960 0.001 0.000 0.249 479 G C -0.820 173.894 174.900 -0.309 0.000 1.216 479 G CA -0.275 44.608 45.100 -0.363 0.000 0.845 479 G HN 0.724 nan 8.290 nan 0.000 0.568 480 D N -1.227 119.003 120.400 -0.283 0.000 2.752 480 D HA 0.215 4.856 4.640 0.001 0.000 0.313 480 D C -1.053 175.089 176.300 -0.263 0.000 1.225 480 D CA -0.659 53.184 54.000 -0.262 0.000 0.976 480 D CB 1.972 42.683 40.800 -0.149 0.000 1.443 480 D HN 0.331 nan 8.370 nan 0.000 0.515 481 D N -0.213 120.012 120.400 -0.292 0.000 2.450 481 D HA 0.343 4.984 4.640 0.001 0.000 0.247 481 D C 0.995 177.225 176.300 -0.117 0.000 1.162 481 D CA 0.424 54.332 54.000 -0.154 0.000 0.879 481 D CB 1.127 41.634 40.800 -0.487 0.000 1.163 481 D HN 0.375 nan 8.370 nan 0.000 0.472 482 A N 3.885 126.680 122.820 -0.042 0.000 1.873 482 A HA -0.241 4.079 4.320 0.001 0.000 0.218 482 A C 1.422 178.877 177.584 -0.216 0.000 1.193 482 A CA 1.574 53.518 52.037 -0.155 0.000 0.629 482 A CB -0.720 18.146 19.000 -0.222 0.000 0.826 482 A HN 0.832 nan 8.150 nan 0.000 0.447 483 H N -1.259 117.826 119.070 0.025 0.000 2.567 483 H HA 0.297 4.853 4.556 0.001 0.000 0.294 483 H C -0.052 175.307 175.328 0.052 0.000 1.050 483 H CA 0.339 56.425 56.048 0.062 0.000 1.168 483 H CB -0.146 29.695 29.762 0.132 0.000 1.422 483 H HN 0.597 nan 8.280 nan 0.000 0.562 484 D N 0.011 120.430 120.400 0.032 0.000 2.689 484 D HA -0.313 4.327 4.640 0.001 0.000 0.237 484 D C -0.704 175.670 176.300 0.123 0.000 1.148 484 D CA 0.616 54.623 54.000 0.013 0.000 0.656 484 D CB -1.524 39.324 40.800 0.081 0.000 1.050 484 D HN 0.563 nan 8.370 nan 0.000 0.426 485 Y N -3.291 117.112 120.300 0.172 0.000 4.409 485 Y HA -0.335 4.216 4.550 0.001 0.000 0.228 485 Y C 1.678 177.391 175.900 -0.312 0.000 1.108 485 Y CA 1.131 59.129 58.100 -0.170 0.000 1.955 485 Y CB -2.120 36.244 38.460 -0.159 0.000 1.615 485 Y HN 0.363 nan 8.280 nan 0.000 0.665 486 E N 0.910 121.148 120.200 0.063 0.000 2.085 486 E HA -0.195 4.155 4.350 0.001 0.000 0.194 486 E C 1.929 178.539 176.600 0.016 0.000 0.994 486 E CA 2.178 58.617 56.400 0.066 0.000 0.801 486 E CB -0.460 29.334 29.700 0.158 0.000 0.743 486 E HN 0.663 nan 8.360 nan 0.000 0.453 487 W N -0.031 121.309 121.300 0.067 0.000 2.424 487 W HA -0.069 4.592 4.660 0.001 0.000 0.264 487 W C 1.281 177.884 176.519 0.140 0.000 1.229 487 W CA 0.737 58.107 57.345 0.042 0.000 1.208 487 W CB -1.043 28.420 29.460 0.006 0.000 1.127 487 W HN -0.072 nan 8.180 nan 0.000 0.588 488 V N 2.224 121.842 119.914 -0.494 0.000 2.515 488 V HA -0.270 3.850 4.120 0.001 0.000 0.250 488 V C 2.545 178.627 176.094 -0.020 0.000 1.058 488 V CA 2.119 64.220 62.300 -0.332 0.000 1.064 488 V CB -0.821 30.711 31.823 -0.485 0.000 0.675 488 V HN 0.095 nan 8.190 nan 0.000 0.461 489 K N 0.817 121.185 120.400 -0.054 0.000 2.218 489 K HA -0.148 4.172 4.320 0.001 0.000 0.205 489 K C 2.106 178.683 176.600 -0.038 0.000 1.046 489 K CA 1.395 57.666 56.287 -0.027 0.000 0.933 489 K CB -0.386 32.099 32.500 -0.026 0.000 0.728 489 K HN 0.499 nan 8.250 nan 0.000 0.454 490 A N 0.165 122.929 122.820 -0.094 0.000 2.172 490 A HA -0.112 4.209 4.320 0.001 0.000 0.216 490 A C 0.894 178.245 177.584 -0.387 0.000 1.154 490 A CA 0.995 52.873 52.037 -0.266 0.000 0.701 490 A CB -0.284 18.480 19.000 -0.394 0.000 0.789 490 A HN 0.325 nan 8.150 nan 0.000 0.465 491 Y N -1.300 119.025 120.300 0.042 0.000 2.557 491 Y HA 0.297 4.847 4.550 0.001 0.000 0.247 491 Y C 0.510 176.420 175.900 0.018 0.000 1.164 491 Y CA -0.347 57.781 58.100 0.046 0.000 1.218 491 Y CB 0.420 38.925 38.460 0.074 0.000 1.210 491 Y HN 0.255 nan 8.280 nan 0.000 0.529 492 Q N 0.000 119.860 119.800 0.101 0.000 2.315 492 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 492 Q CA 0.000 55.834 55.803 0.052 0.000 1.022 492 Q CB 0.000 28.773 28.738 0.058 0.000 1.108 492 Q HN 0.000 nan 8.270 nan 0.000 0.481