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 3p4q_1_M DATA FIRST_RESID 0 DATA SEQUENCE MQTFQADLAI VGAGGAGLRA AIAAAQANPN AKIALISKVY PMRSHTVAAE DATA SEQUENCE GGSAAVAQDH DSFEYHFHDT VAGGDWLCEQ DVVDYFVHHC PTEMTQLELW DATA SEQUENCE GCPWSRRPDG SVNVRRFGGM KIERTWFAAD KTGFHMLHTL FQTSLQFPQI DATA SEQUENCE QRFDEHFVLD ILVDDGHVRG LVAMNMMEGT LVQIRANAVV MATGGAGRVY DATA SEQUENCE RYNTNGGIVT GDGMGMALSH GVPLRDMEFV QYHPTGLPGS GILMTEGCRG DATA SEQUENCE EGGILVNKNG YRYLQDYGMG PETPLGEPKN KYMELGPRDK VSQAFWHEWR DATA SEQUENCE KGNTISTPRG DVVYLDLRHL GEKKLHERLP FICELAKAYV GVDPVKEPIP DATA SEQUENCE VRPTAHYTMG GIETDQNCET RIKGLFAVGE CSSVGLHGAN RLGSNSLAEL DATA SEQUENCE VVFGRLAGEQ ATERAATAGN GNEAAIEAQA AGVEQRLKDL VNQDGGENWA DATA SEQUENCE KIRDEMGLAM EEGCGIYRTP ELMQKTIDKL AELQERFKRV RITDTSSVFN DATA SEQUENCE TDLLYTIELG HGLNVAECMA HSAMARKESR GAHQRLDEGC TERDDVNFLK DATA SEQUENCE HTLAFRDADG TTRLEYSDVK ITTLPPA 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.307 176.300 0.012 0.000 1.140 0 M CA 0.000 55.303 55.300 0.006 0.000 0.988 0 M CB 0.000 32.603 32.600 0.006 0.000 1.302 1 Q N -0.199 119.613 119.800 0.019 0.000 2.578 1 Q HA 0.687 5.025 4.340 -0.003 0.000 0.284 1 Q C -1.767 174.261 176.000 0.047 0.000 0.960 1 Q CA -0.321 55.503 55.803 0.034 0.000 0.809 1 Q CB 2.677 31.448 28.738 0.055 0.000 1.462 1 Q HN 0.770 nan 8.270 nan 0.000 0.392 2 T N 1.308 115.891 114.554 0.049 0.000 2.887 2 T HA 0.681 5.029 4.350 -0.003 0.000 0.288 2 T C -1.547 173.212 174.700 0.098 0.000 1.021 2 T CA -0.310 61.826 62.100 0.060 0.000 1.000 2 T CB 0.712 69.590 68.868 0.016 0.000 1.034 2 T HN 0.366 nan 8.240 nan 0.000 0.467 3 F N 1.879 121.822 119.950 -0.012 0.000 2.539 3 F HA 0.366 4.893 4.527 -0.000 0.000 0.318 3 F C 0.043 175.857 175.800 0.022 0.000 1.135 3 F CA -0.854 57.151 58.000 0.008 0.000 0.915 3 F CB 1.920 40.919 39.000 -0.002 0.000 1.176 3 F HN 0.263 nan 8.300 nan 0.000 0.440 4 Q N 3.498 123.306 119.800 0.015 0.000 2.296 4 Q HA 0.633 4.971 4.340 -0.003 0.000 0.262 4 Q C -1.068 175.044 176.000 0.186 0.000 0.981 4 Q CA -0.036 55.802 55.803 0.058 0.000 0.905 4 Q CB 1.378 30.092 28.738 -0.041 0.000 1.186 4 Q HN 0.764 nan 8.270 nan 0.000 0.399 5 A N 3.746 126.650 122.820 0.140 0.000 2.566 5 A HA 0.366 4.684 4.320 -0.003 0.000 0.297 5 A C -0.471 177.159 177.584 0.076 0.000 1.059 5 A CA -0.655 51.460 52.037 0.129 0.000 0.691 5 A CB 1.079 20.169 19.000 0.151 0.000 1.282 5 A HN 0.626 nan 8.150 nan 0.000 0.401 6 D N 0.259 120.692 120.400 0.055 0.000 2.120 6 D HA 0.181 4.819 4.640 -0.003 0.000 0.202 6 D C 0.055 176.371 176.300 0.026 0.000 0.972 6 D CA 1.635 55.656 54.000 0.035 0.000 0.837 6 D CB 0.054 40.867 40.800 0.021 0.000 0.989 6 D HN 0.428 nan 8.370 nan 0.000 0.469 7 L N 0.120 121.350 121.223 0.013 0.000 2.441 7 L HA 0.587 4.925 4.340 -0.003 0.000 0.270 7 L C -1.089 175.776 176.870 -0.008 0.000 0.973 7 L CA -0.956 53.878 54.840 -0.010 0.000 0.842 7 L CB 2.262 44.287 42.059 -0.056 0.000 1.239 7 L HN -0.179 nan 8.230 nan 0.000 0.406 8 A N 5.143 127.963 122.820 0.000 0.000 2.582 8 A HA 0.671 4.989 4.320 -0.003 0.000 0.336 8 A C -0.253 177.314 177.584 -0.029 0.000 1.445 8 A CA -0.283 51.750 52.037 -0.007 0.000 0.997 8 A CB -0.393 18.608 19.000 0.003 0.000 1.148 8 A HN 0.647 nan 8.150 nan 0.000 0.514 9 I N 2.756 123.301 120.570 -0.041 0.000 2.337 9 I HA 0.171 4.339 4.170 -0.003 0.000 0.291 9 I C -0.191 175.889 176.117 -0.062 0.000 1.046 9 I CA -0.267 61.003 61.300 -0.051 0.000 1.324 9 I CB 1.449 39.416 38.000 -0.055 0.000 1.409 9 I HN 0.256 nan 8.210 nan 0.000 0.494 10 V N 6.412 126.282 119.914 -0.073 0.000 2.385 10 V HA 0.772 4.891 4.120 -0.003 0.000 0.269 10 V C 0.603 176.638 176.094 -0.099 0.000 1.043 10 V CA -0.233 62.004 62.300 -0.106 0.000 0.906 10 V CB 0.412 32.154 31.823 -0.134 0.000 0.995 10 V HN 1.062 nan 8.190 nan 0.000 0.467 11 G N 3.991 112.731 108.800 -0.101 0.000 2.841 11 G HA2 0.389 4.347 3.960 -0.003 0.000 0.684 11 G HA3 0.389 4.347 3.960 -0.003 0.000 0.684 11 G C -0.233 174.636 174.900 -0.053 0.000 1.273 11 G CA -0.125 44.928 45.100 -0.079 0.000 0.811 11 G HN 1.360 nan 8.290 nan 0.000 0.631 12 A N 0.963 123.756 122.820 -0.046 0.000 2.603 12 A HA 0.786 5.104 4.320 -0.003 0.000 0.277 12 A C 1.405 178.974 177.584 -0.025 0.000 1.158 12 A CA 1.293 53.307 52.037 -0.038 0.000 0.962 12 A CB 0.038 19.004 19.000 -0.058 0.000 1.189 12 A HN 2.222 nan 8.150 nan 0.000 0.552 13 G N -1.083 107.713 108.800 -0.006 0.000 2.570 13 G HA2 0.377 4.335 3.960 -0.003 0.000 0.276 13 G HA3 0.377 4.335 3.960 -0.003 0.000 0.276 13 G C 1.204 176.127 174.900 0.038 0.000 1.346 13 G CA 0.104 45.217 45.100 0.022 0.000 1.034 13 G HN 0.598 nan 8.290 nan 0.000 0.512 14 G N -0.755 108.086 108.800 0.068 0.000 2.517 14 G HA2 0.005 3.963 3.960 -0.003 0.000 0.222 14 G HA3 0.005 3.963 3.960 -0.003 0.000 0.222 14 G C 1.570 176.525 174.900 0.091 0.000 1.109 14 G CA 1.930 47.083 45.100 0.088 0.000 0.746 14 G HN 0.928 nan 8.290 nan 0.000 0.576 15 A N 0.067 122.938 122.820 0.085 0.000 1.963 15 A HA 0.468 4.786 4.320 -0.003 0.000 0.207 15 A C 2.615 180.224 177.584 0.042 0.000 1.243 15 A CA 1.381 53.467 52.037 0.083 0.000 0.728 15 A CB -0.756 18.307 19.000 0.105 0.000 0.895 15 A HN 0.434 nan 8.150 nan 0.000 0.467 16 G N 1.072 109.887 108.800 0.024 0.000 2.514 16 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.217 16 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.217 16 G C 1.500 176.390 174.900 -0.017 0.000 1.198 16 G CA 1.497 46.594 45.100 -0.005 0.000 0.780 16 G HN 0.704 nan 8.290 nan 0.000 0.565 17 L N 0.824 122.039 121.223 -0.013 0.000 2.156 17 L HA 0.145 4.483 4.340 -0.003 0.000 0.208 17 L C 2.457 179.296 176.870 -0.052 0.000 1.095 17 L CA 2.440 57.265 54.840 -0.025 0.000 0.770 17 L CB -1.376 40.684 42.059 0.002 0.000 0.914 17 L HN 0.314 nan 8.230 nan 0.000 0.439 18 R N 1.385 121.869 120.500 -0.027 0.000 2.120 18 R HA -0.019 4.319 4.340 -0.003 0.000 0.234 18 R C 2.227 178.513 176.300 -0.024 0.000 1.123 18 R CA 1.733 57.824 56.100 -0.015 0.000 0.975 18 R CB -0.694 29.640 30.300 0.057 0.000 0.866 18 R HN 0.458 nan 8.270 nan 0.000 0.446 19 A N 0.368 123.172 122.820 -0.028 0.000 2.024 19 A HA -0.042 4.276 4.320 -0.003 0.000 0.220 19 A C 2.350 179.884 177.584 -0.084 0.000 1.164 19 A CA 1.599 53.604 52.037 -0.052 0.000 0.643 19 A CB -0.842 18.126 19.000 -0.053 0.000 0.806 19 A HN 0.552 nan 8.150 nan 0.000 0.451 20 A N -0.005 122.761 122.820 -0.091 0.000 1.929 20 A HA 0.041 4.359 4.320 -0.003 0.000 0.216 20 A C 2.035 179.514 177.584 -0.174 0.000 1.176 20 A CA 1.290 53.259 52.037 -0.113 0.000 0.628 20 A CB -0.502 18.440 19.000 -0.096 0.000 0.816 20 A HN 0.515 nan 8.150 nan 0.000 0.444 21 I N -0.258 120.183 120.570 -0.216 0.000 2.286 21 I HA -0.164 4.004 4.170 -0.003 0.000 0.245 21 I C 2.777 178.708 176.117 -0.310 0.000 1.104 21 I CA 1.012 62.084 61.300 -0.381 0.000 1.397 21 I CB -0.370 37.411 38.000 -0.364 0.000 1.072 21 I HN 0.279 nan 8.210 nan 0.000 0.417 22 A N 0.911 123.647 122.820 -0.140 0.000 2.067 22 A HA 0.067 4.385 4.320 -0.003 0.000 0.219 22 A C 2.430 179.950 177.584 -0.108 0.000 1.158 22 A CA 1.425 53.406 52.037 -0.093 0.000 0.661 22 A CB -0.553 18.421 19.000 -0.044 0.000 0.801 22 A HN 0.423 nan 8.150 nan 0.000 0.452 23 A N -0.984 121.762 122.820 -0.125 0.000 2.167 23 A HA 0.457 4.775 4.320 -0.003 0.000 0.214 23 A C 1.858 179.389 177.584 -0.088 0.000 1.151 23 A CA 1.221 53.197 52.037 -0.101 0.000 0.735 23 A CB -0.336 18.605 19.000 -0.099 0.000 0.802 23 A HN 0.974 nan 8.150 nan 0.000 0.467 24 A N -1.488 121.247 122.820 -0.141 0.000 2.470 24 A HA 0.347 4.665 4.320 -0.003 0.000 0.251 24 A C 1.556 179.110 177.584 -0.050 0.000 1.245 24 A CA 0.277 52.262 52.037 -0.088 0.000 0.932 24 A CB 0.065 19.003 19.000 -0.104 0.000 1.037 24 A HN 0.498 nan 8.150 nan 0.000 0.522 25 Q N -1.173 118.576 119.800 -0.085 0.000 2.462 25 Q HA 0.234 4.572 4.340 -0.003 0.000 0.224 25 Q C 2.249 178.260 176.000 0.018 0.000 0.911 25 Q CA 0.804 56.605 55.803 -0.004 0.000 0.925 25 Q CB 0.104 28.822 28.738 -0.035 0.000 1.063 25 Q HN 0.574 nan 8.270 nan 0.000 0.572 26 A N 1.127 123.943 122.820 -0.007 0.000 1.874 26 A HA -0.035 4.283 4.320 -0.003 0.000 0.214 26 A C 0.876 178.465 177.584 0.008 0.000 1.189 26 A CA 0.996 53.033 52.037 -0.000 0.000 0.615 26 A CB 0.017 19.010 19.000 -0.013 0.000 0.830 26 A HN 0.211 nan 8.150 nan 0.000 0.443 27 N N -1.053 117.650 118.700 0.005 0.000 2.531 27 N HA 0.407 5.145 4.740 -0.003 0.000 0.268 27 N C -2.522 173.003 175.510 0.024 0.000 1.023 27 N CA -2.021 51.037 53.050 0.013 0.000 0.896 27 N CB 1.740 40.230 38.487 0.006 0.000 1.233 27 N HN -0.174 nan 8.380 nan 0.000 0.512 28 P HA -0.116 nan 4.420 nan 0.000 0.215 28 P C 0.965 178.292 177.300 0.045 0.000 1.153 28 P CA 0.982 64.118 63.100 0.061 0.000 0.853 28 P CB 0.228 31.965 31.700 0.063 0.000 0.788 29 N N -0.136 118.583 118.700 0.031 0.000 2.519 29 N HA -0.079 4.659 4.740 -0.003 0.000 0.186 29 N C 0.287 175.811 175.510 0.024 0.000 1.062 29 N CA -0.059 53.007 53.050 0.025 0.000 0.910 29 N CB -0.201 38.298 38.487 0.019 0.000 0.958 29 N HN -0.009 nan 8.380 nan 0.000 0.445 30 A N 1.522 124.355 122.820 0.021 0.000 2.565 30 A HA -0.035 4.283 4.320 -0.003 0.000 0.237 30 A C 0.318 177.917 177.584 0.025 0.000 1.053 30 A CA 0.295 52.343 52.037 0.017 0.000 0.755 30 A CB 0.168 19.171 19.000 0.004 0.000 0.980 30 A HN 0.313 nan 8.150 nan 0.000 0.506 31 K N 3.147 123.566 120.400 0.032 0.000 2.357 31 K HA 0.435 4.753 4.320 -0.003 0.000 0.251 31 K C -0.636 175.992 176.600 0.047 0.000 1.069 31 K CA -0.143 56.172 56.287 0.047 0.000 0.994 31 K CB -0.175 32.365 32.500 0.066 0.000 1.411 31 K HN 0.558 nan 8.250 nan 0.000 0.450 32 I N 2.118 122.701 120.570 0.023 0.000 2.313 32 I HA 0.477 4.645 4.170 -0.003 0.000 0.286 32 I C 0.056 176.169 176.117 -0.007 0.000 1.091 32 I CA -1.096 60.206 61.300 0.002 0.000 1.216 32 I CB 1.144 39.127 38.000 -0.027 0.000 1.434 32 I HN 0.439 nan 8.210 nan 0.000 0.487 33 A N 7.129 129.962 122.820 0.023 0.000 2.450 33 A HA 0.567 4.885 4.320 -0.003 0.000 0.255 33 A C -0.548 177.028 177.584 -0.012 0.000 1.096 33 A CA -0.199 51.848 52.037 0.017 0.000 0.778 33 A CB 0.667 19.719 19.000 0.088 0.000 1.031 33 A HN 0.867 nan 8.150 nan 0.000 0.494 34 L N 3.213 124.414 121.223 -0.037 0.000 2.362 34 L HA 0.841 5.179 4.340 -0.003 0.000 0.271 34 L C -0.704 176.160 176.870 -0.009 0.000 1.002 34 L CA -0.753 54.065 54.840 -0.037 0.000 0.818 34 L CB 1.506 43.534 42.059 -0.052 0.000 1.298 34 L HN 0.777 nan 8.230 nan 0.000 0.420 35 I N 2.757 123.302 120.570 -0.042 0.000 2.686 35 I HA 0.612 4.780 4.170 -0.003 0.000 0.295 35 I C -1.481 174.602 176.117 -0.056 0.000 1.114 35 I CA 0.022 61.282 61.300 -0.068 0.000 1.038 35 I CB 2.239 40.140 38.000 -0.165 0.000 1.238 35 I HN 0.633 nan 8.210 nan 0.000 0.420 36 S N 4.913 120.609 115.700 -0.005 0.000 2.546 36 S HA 0.392 4.860 4.470 -0.003 0.000 0.274 36 S C 0.348 174.919 174.600 -0.048 0.000 1.121 36 S CA -0.595 57.574 58.200 -0.051 0.000 0.887 36 S CB 1.897 65.067 63.200 -0.050 0.000 1.094 36 S HN 0.843 nan 8.310 nan 0.000 0.474 37 K N 1.814 122.163 120.400 -0.085 0.000 1.973 37 K HA -0.000 4.318 4.320 -0.003 0.000 0.212 37 K C 0.967 177.538 176.600 -0.047 0.000 1.047 37 K CA 1.724 58.012 56.287 0.002 0.000 0.937 37 K CB -0.883 31.707 32.500 0.152 0.000 0.721 37 K HN 0.480 nan 8.250 nan 0.000 0.440 38 V N -2.014 117.873 119.914 -0.045 0.000 3.234 38 V HA 0.348 4.466 4.120 -0.003 0.000 0.317 38 V C -0.108 175.901 176.094 -0.141 0.000 1.147 38 V CA -1.605 60.635 62.300 -0.100 0.000 1.037 38 V CB 0.267 32.126 31.823 0.060 0.000 1.148 38 V HN 0.185 nan 8.190 nan 0.000 0.455 39 Y N 1.226 121.518 120.300 -0.013 0.000 2.757 39 Y HA 0.172 4.720 4.550 -0.003 0.000 0.344 39 Y C -1.040 174.735 175.900 -0.208 0.000 1.263 39 Y CA -0.674 57.361 58.100 -0.108 0.000 1.493 39 Y CB -0.286 38.104 38.460 -0.117 0.000 1.342 39 Y HN 0.458 nan 8.280 nan 0.000 0.627 40 P HA -0.256 nan 4.420 nan 0.000 0.216 40 P C 1.248 178.279 177.300 -0.449 0.000 1.150 40 P CA 2.079 64.930 63.100 -0.416 0.000 0.843 40 P CB 0.002 31.209 31.700 -0.820 0.000 0.787 41 M N -3.009 116.264 119.600 -0.545 0.000 2.541 41 M HA 0.163 4.641 4.480 -0.003 0.000 0.252 41 M C 1.151 177.414 176.300 -0.061 0.000 1.125 41 M CA 1.284 56.347 55.300 -0.394 0.000 1.091 41 M CB -0.833 31.454 32.600 -0.523 0.000 1.420 41 M HN -0.258 nan 8.290 nan 0.000 0.486 42 R N 2.193 122.689 120.500 -0.007 0.000 2.313 42 R HA 0.222 4.560 4.340 -0.003 0.000 0.199 42 R C 0.846 177.196 176.300 0.084 0.000 0.958 42 R CA 0.360 56.513 56.100 0.088 0.000 1.047 42 R CB -1.050 29.350 30.300 0.167 0.000 0.955 42 R HN 0.698 nan 8.270 nan 0.000 0.481 43 S N -1.381 114.344 115.700 0.042 0.000 2.626 43 S HA 0.008 4.476 4.470 -0.003 0.000 0.257 43 S C 1.072 175.742 174.600 0.117 0.000 1.288 43 S CA -0.248 57.995 58.200 0.072 0.000 0.980 43 S CB 0.801 64.019 63.200 0.030 0.000 0.975 43 S HN 0.390 nan 8.310 nan 0.000 0.577 44 H N -0.300 118.807 119.070 0.062 0.000 2.562 44 H HA 0.143 4.697 4.556 -0.003 0.000 0.267 44 H C 1.699 177.084 175.328 0.095 0.000 0.959 44 H CA 1.259 57.355 56.048 0.079 0.000 1.204 44 H CB -0.483 29.313 29.762 0.058 0.000 1.430 44 H HN 0.732 nan 8.280 nan 0.000 0.545 45 T N -0.448 114.216 114.554 0.182 0.000 2.869 45 T HA -0.204 4.144 4.350 -0.003 0.000 0.270 45 T C 2.095 176.878 174.700 0.139 0.000 1.082 45 T CA 1.052 63.247 62.100 0.158 0.000 1.123 45 T CB -0.530 68.412 68.868 0.124 0.000 0.856 45 T HN 0.207 nan 8.240 nan 0.000 0.499 46 V N 1.541 121.525 119.914 0.117 0.000 2.392 46 V HA -0.121 3.997 4.120 -0.003 0.000 0.249 46 V C 2.513 178.699 176.094 0.155 0.000 1.059 46 V CA 1.860 64.274 62.300 0.189 0.000 1.051 46 V CB -0.901 31.059 31.823 0.228 0.000 0.658 46 V HN 0.569 nan 8.190 nan 0.000 0.455 47 A N -0.341 122.477 122.820 -0.003 0.000 2.239 47 A HA 0.497 4.815 4.320 -0.003 0.000 0.209 47 A C 1.217 178.869 177.584 0.113 0.000 1.171 47 A CA 0.686 52.709 52.037 -0.023 0.000 0.768 47 A CB -0.703 18.089 19.000 -0.346 0.000 0.790 47 A HN 0.786 nan 8.150 nan 0.000 0.478 48 A N 0.315 123.229 122.820 0.156 0.000 2.454 48 A HA 0.455 4.773 4.320 -0.003 0.000 0.260 48 A C 0.580 178.273 177.584 0.182 0.000 1.106 48 A CA -0.136 52.011 52.037 0.184 0.000 0.780 48 A CB 0.064 19.177 19.000 0.189 0.000 1.044 48 A HN 0.533 nan 8.150 nan 0.000 0.498 49 E N 2.385 122.692 120.200 0.179 0.000 2.539 49 E HA 0.130 4.478 4.350 -0.003 0.000 0.215 49 E C 1.279 177.973 176.600 0.157 0.000 0.965 49 E CA 0.377 56.887 56.400 0.184 0.000 1.019 49 E CB 0.707 30.537 29.700 0.217 0.000 1.059 49 E HN 0.758 nan 8.360 nan 0.000 0.496 50 G N 1.211 110.058 108.800 0.078 0.000 3.311 50 G HA2 0.468 4.426 3.960 -0.003 0.000 0.169 50 G HA3 0.468 4.426 3.960 -0.003 0.000 0.169 50 G C 0.348 175.104 174.900 -0.241 0.000 1.852 50 G CA 0.330 45.311 45.100 -0.198 0.000 1.010 50 G HN 0.236 nan 8.290 nan 0.000 0.530 51 G N -1.883 106.663 108.800 -0.423 0.000 2.921 51 G HA2 0.488 4.446 3.960 -0.003 0.000 0.291 51 G HA3 0.488 4.446 3.960 -0.003 0.000 0.291 51 G C -1.473 173.440 174.900 0.022 0.000 1.370 51 G CA 0.254 45.294 45.100 -0.100 0.000 0.847 51 G HN 0.913 nan 8.290 nan 0.000 0.532 52 S N -1.230 114.562 115.700 0.152 0.000 2.614 52 S HA 0.699 5.167 4.470 -0.003 0.000 0.288 52 S C -0.172 174.504 174.600 0.128 0.000 1.137 52 S CA -0.003 58.273 58.200 0.126 0.000 0.992 52 S CB 1.019 64.293 63.200 0.123 0.000 1.026 52 S HN 1.476 nan 8.310 nan 0.000 0.486 53 A N 3.192 126.110 122.820 0.163 0.000 2.310 53 A HA 0.947 5.265 4.320 -0.003 0.000 0.299 53 A C 0.091 177.814 177.584 0.232 0.000 1.147 53 A CA -0.151 52.047 52.037 0.270 0.000 0.818 53 A CB 0.722 19.887 19.000 0.275 0.000 1.096 53 A HN 1.532 nan 8.150 nan 0.000 0.495 54 A N 1.314 124.361 122.820 0.379 0.000 2.604 54 A HA 0.586 4.904 4.320 -0.003 0.000 0.295 54 A C -0.850 177.014 177.584 0.468 0.000 1.067 54 A CA -0.489 51.740 52.037 0.320 0.000 0.683 54 A CB 0.676 19.620 19.000 -0.093 0.000 1.281 54 A HN 1.241 nan 8.150 nan 0.000 0.407 55 V N 1.917 122.031 119.914 0.334 0.000 2.425 55 V HA 0.341 4.459 4.120 -0.003 0.000 0.276 55 V C 1.188 177.349 176.094 0.112 0.000 1.017 55 V CA 1.277 63.692 62.300 0.191 0.000 1.062 55 V CB 0.131 31.978 31.823 0.039 0.000 0.997 55 V HN 1.274 nan 8.190 nan 0.000 0.476 56 A N 4.573 127.414 122.820 0.036 0.000 1.983 56 A HA 0.214 4.532 4.320 -0.003 0.000 0.207 56 A C 1.102 178.636 177.584 -0.084 0.000 1.412 56 A CA 0.081 52.087 52.037 -0.051 0.000 0.750 56 A CB 0.005 18.893 19.000 -0.187 0.000 1.047 56 A HN 0.652 nan 8.150 nan 0.000 0.504 57 Q N 0.236 119.988 119.800 -0.080 0.000 2.396 57 Q HA 0.121 4.459 4.340 -0.003 0.000 0.221 57 Q C -0.240 175.717 176.000 -0.071 0.000 1.025 57 Q CA -0.154 55.616 55.803 -0.056 0.000 0.946 57 Q CB 0.505 29.232 28.738 -0.019 0.000 1.224 57 Q HN 0.385 nan 8.270 nan 0.000 0.539 58 D N -0.422 119.948 120.400 -0.051 0.000 2.234 58 D HA -0.070 4.568 4.640 -0.003 0.000 0.205 58 D C 0.534 176.721 176.300 -0.189 0.000 0.962 58 D CA 1.069 54.995 54.000 -0.122 0.000 0.855 58 D CB 0.120 40.834 40.800 -0.142 0.000 0.951 58 D HN 0.416 nan 8.370 nan 0.000 0.500 59 H N 0.496 119.507 119.070 -0.098 0.000 2.933 59 H HA 0.182 4.736 4.556 -0.003 0.000 0.306 59 H C -0.417 174.788 175.328 -0.205 0.000 1.142 59 H CA 0.314 56.288 56.048 -0.123 0.000 1.193 59 H CB -0.096 29.599 29.762 -0.112 0.000 1.330 59 H HN 0.035 nan 8.280 nan 0.000 0.585 60 D N 0.020 120.341 120.400 -0.131 0.000 2.927 60 D HA 0.135 4.773 4.640 -0.003 0.000 0.219 60 D C -0.892 175.323 176.300 -0.141 0.000 1.248 60 D CA -0.415 53.467 54.000 -0.197 0.000 0.861 60 D CB 2.054 42.763 40.800 -0.152 0.000 1.677 60 D HN 0.099 nan 8.370 nan 0.000 0.511 61 S N 2.170 117.889 115.700 0.033 0.000 2.621 61 S HA 0.464 4.932 4.470 -0.003 0.000 0.302 61 S C 0.903 175.549 174.600 0.077 0.000 1.093 61 S CA -0.596 57.675 58.200 0.118 0.000 1.017 61 S CB 0.534 63.998 63.200 0.441 0.000 1.077 61 S HN 0.354 nan 8.310 nan 0.000 0.517 62 F N 1.363 121.428 119.950 0.192 0.000 2.134 62 F HA 0.031 4.556 4.527 -0.003 0.000 0.299 62 F C 2.453 178.338 175.800 0.142 0.000 1.097 62 F CA 0.879 58.951 58.000 0.120 0.000 1.264 62 F CB -0.224 38.794 39.000 0.030 0.000 1.001 62 F HN 0.526 nan 8.300 nan 0.000 0.479 63 E N -0.685 119.722 120.200 0.345 0.000 2.347 63 E HA -0.152 4.196 4.350 -0.003 0.000 0.196 63 E C 1.889 178.662 176.600 0.289 0.000 1.008 63 E CA 0.709 57.276 56.400 0.279 0.000 0.852 63 E CB -0.588 29.224 29.700 0.187 0.000 0.783 63 E HN 0.517 nan 8.360 nan 0.000 0.505 64 Y N 0.553 120.985 120.300 0.221 0.000 2.163 64 Y HA -0.210 4.338 4.550 -0.003 0.000 0.288 64 Y C 2.574 178.617 175.900 0.237 0.000 1.136 64 Y CA 1.841 60.051 58.100 0.182 0.000 1.147 64 Y CB -0.380 38.141 38.460 0.103 0.000 0.987 64 Y HN 0.231 nan 8.280 nan 0.000 0.509 65 H N -1.405 117.860 119.070 0.325 0.000 2.390 65 H HA -0.266 4.288 4.556 -0.003 0.000 0.298 65 H C 2.049 177.534 175.328 0.262 0.000 1.106 65 H CA 1.576 57.776 56.048 0.253 0.000 1.297 65 H CB -0.277 29.622 29.762 0.229 0.000 1.375 65 H HN 0.321 nan 8.280 nan 0.000 0.509 66 F N 0.662 120.779 119.950 0.279 0.000 2.102 66 F HA -0.245 4.280 4.527 -0.003 0.000 0.298 66 F C 2.658 178.511 175.800 0.087 0.000 1.105 66 F CA 2.108 60.193 58.000 0.143 0.000 1.239 66 F CB -0.952 38.100 39.000 0.088 0.000 0.991 66 F HN 0.311 nan 8.300 nan 0.000 0.474 67 H N -0.106 118.914 119.070 -0.082 0.000 2.267 67 H HA -0.165 4.389 4.556 -0.003 0.000 0.297 67 H C 1.685 176.886 175.328 -0.212 0.000 1.080 67 H CA 2.221 58.127 56.048 -0.237 0.000 1.278 67 H CB -0.338 29.372 29.762 -0.088 0.000 1.365 67 H HN 0.201 nan 8.280 nan 0.000 0.489 68 D N -0.536 119.837 120.400 -0.044 0.000 2.149 68 D HA -0.114 4.524 4.640 -0.003 0.000 0.198 68 D C 2.079 178.282 176.300 -0.163 0.000 0.990 68 D CA 1.768 55.711 54.000 -0.096 0.000 0.839 68 D CB -0.390 40.420 40.800 0.018 0.000 0.948 68 D HN 0.410 nan 8.370 nan 0.000 0.460 69 T N -0.352 114.135 114.554 -0.112 0.000 2.857 69 T HA -0.046 4.302 4.350 -0.003 0.000 0.266 69 T C 2.189 176.710 174.700 -0.300 0.000 1.048 69 T CA 0.494 62.517 62.100 -0.128 0.000 1.139 69 T CB -0.251 68.625 68.868 0.014 0.000 0.874 69 T HN -0.009 nan 8.240 nan 0.000 0.455 70 V N 1.678 121.294 119.914 -0.497 0.000 2.323 70 V HA -0.062 4.056 4.120 -0.003 0.000 0.244 70 V C 2.929 178.529 176.094 -0.824 0.000 1.041 70 V CA 1.543 63.402 62.300 -0.735 0.000 1.025 70 V CB -1.139 30.041 31.823 -1.072 0.000 0.656 70 V HN 0.509 nan 8.190 nan 0.000 0.451 71 A N 0.610 122.944 122.820 -0.810 0.000 1.933 71 A HA -0.102 4.216 4.320 -0.003 0.000 0.218 71 A C 2.378 179.793 177.584 -0.280 0.000 1.175 71 A CA 1.910 53.598 52.037 -0.582 0.000 0.628 71 A CB -1.169 17.505 19.000 -0.543 0.000 0.814 71 A HN 0.538 nan 8.150 nan 0.000 0.444 72 G N -0.859 107.788 108.800 -0.254 0.000 2.443 72 G HA2 0.096 4.054 3.960 -0.003 0.000 0.219 72 G HA3 0.096 4.054 3.960 -0.003 0.000 0.219 72 G C 1.284 176.085 174.900 -0.164 0.000 1.131 72 G CA 1.080 46.084 45.100 -0.161 0.000 0.775 72 G HN 0.741 nan 8.290 nan 0.000 0.547 73 G N -0.044 108.625 108.800 -0.219 0.000 2.985 73 G HA2 0.266 4.224 3.960 -0.003 0.000 0.209 73 G HA3 0.266 4.224 3.960 -0.003 0.000 0.209 73 G C 0.313 175.143 174.900 -0.116 0.000 1.165 73 G CA 0.531 45.514 45.100 -0.194 0.000 0.776 73 G HN 0.304 nan 8.290 nan 0.000 0.541 74 D N -1.514 118.851 120.400 -0.057 0.000 2.811 74 D HA -0.204 4.434 4.640 -0.003 0.000 0.231 74 D C 0.519 177.047 176.300 0.380 0.000 1.157 74 D CA 0.926 55.038 54.000 0.188 0.000 0.716 74 D CB -1.738 39.151 40.800 0.148 0.000 1.077 74 D HN 0.582 nan 8.370 nan 0.000 0.428 75 W N -1.930 119.324 121.300 -0.077 0.000 4.435 75 W HA -0.265 4.393 4.660 -0.003 0.000 0.351 75 W C 0.292 176.776 176.519 -0.059 0.000 1.319 75 W CA -0.050 57.258 57.345 -0.061 0.000 0.791 75 W CB -1.593 27.843 29.460 -0.041 0.000 2.419 75 W HN 0.308 nan 8.180 nan 0.000 1.406 76 L N 0.932 122.189 121.223 0.056 0.000 2.928 76 L HA 0.193 4.531 4.340 -0.003 0.000 0.246 76 L C 0.831 177.650 176.870 -0.086 0.000 1.239 76 L CA 0.754 55.569 54.840 -0.041 0.000 1.035 76 L CB -0.469 41.628 42.059 0.064 0.000 1.360 76 L HN 0.158 nan 8.230 nan 0.000 0.529 77 C N -2.627 116.676 119.300 0.004 0.000 2.712 77 C HA 0.474 4.932 4.460 -0.003 0.000 0.308 77 C C 0.326 175.414 174.990 0.164 0.000 1.201 77 C CA -1.144 57.960 59.018 0.144 0.000 1.554 77 C CB 1.526 29.255 27.740 -0.018 0.000 2.117 77 C HN 0.350 nan 8.230 nan 0.000 0.480 78 E N 1.460 121.793 120.200 0.222 0.000 2.161 78 E HA -0.013 4.335 4.350 -0.003 0.000 0.263 78 E C 0.695 177.370 176.600 0.125 0.000 1.185 78 E CA 0.331 56.824 56.400 0.155 0.000 0.938 78 E CB 0.648 30.397 29.700 0.081 0.000 1.023 78 E HN 0.685 nan 8.360 nan 0.000 0.433 79 Q N 1.750 121.644 119.800 0.157 0.000 2.437 79 Q HA -0.148 4.190 4.340 -0.003 0.000 0.210 79 Q C 1.265 177.449 176.000 0.307 0.000 0.972 79 Q CA 0.944 56.903 55.803 0.260 0.000 0.903 79 Q CB 0.203 29.101 28.738 0.267 0.000 0.967 79 Q HN 0.545 nan 8.270 nan 0.000 0.486 80 D N -0.713 119.798 120.400 0.186 0.000 2.240 80 D HA -0.084 4.554 4.640 -0.003 0.000 0.206 80 D C 1.724 178.126 176.300 0.170 0.000 0.963 80 D CA 0.450 54.532 54.000 0.137 0.000 0.863 80 D CB -0.308 40.553 40.800 0.101 0.000 0.973 80 D HN 0.046 nan 8.370 nan 0.000 0.501 81 V N 0.938 120.956 119.914 0.173 0.000 2.515 81 V HA -0.178 3.940 4.120 -0.003 0.000 0.250 81 V C 2.736 179.054 176.094 0.372 0.000 1.058 81 V CA 1.174 63.612 62.300 0.231 0.000 1.064 81 V CB -0.154 31.682 31.823 0.022 0.000 0.675 81 V HN 0.120 nan 8.190 nan 0.000 0.461 82 V N 0.000 120.080 119.914 0.276 0.000 2.667 82 V HA -0.186 3.932 4.120 -0.003 0.000 0.252 82 V C 2.158 178.458 176.094 0.343 0.000 1.065 82 V CA 1.993 64.491 62.300 0.330 0.000 1.083 82 V CB -0.558 31.470 31.823 0.342 0.000 0.692 82 V HN 0.559 nan 8.190 nan 0.000 0.468 83 D N -0.946 119.543 120.400 0.148 0.000 2.234 83 D HA -0.170 4.468 4.640 -0.003 0.000 0.205 83 D C 1.900 178.248 176.300 0.081 0.000 0.962 83 D CA 0.768 54.697 54.000 -0.119 0.000 0.855 83 D CB -0.093 40.526 40.800 -0.303 0.000 0.951 83 D HN 0.536 nan 8.370 nan 0.000 0.500 84 Y N -0.567 119.786 120.300 0.087 0.000 2.263 84 Y HA -0.106 4.442 4.550 -0.003 0.000 0.292 84 Y C 1.798 177.679 175.900 -0.033 0.000 1.130 84 Y CA 1.194 59.289 58.100 -0.008 0.000 1.179 84 Y CB -0.416 37.982 38.460 -0.103 0.000 0.998 84 Y HN -0.015 nan 8.280 nan 0.000 0.532 85 F N -0.371 119.633 119.950 0.090 0.000 2.134 85 F HA -0.228 4.297 4.527 -0.003 0.000 0.299 85 F C 2.183 177.901 175.800 -0.137 0.000 1.097 85 F CA 1.822 59.847 58.000 0.042 0.000 1.264 85 F CB -0.600 38.606 39.000 0.343 0.000 1.001 85 F HN -0.090 nan 8.300 nan 0.000 0.479 86 V N -0.633 119.304 119.914 0.039 0.000 2.358 86 V HA -0.326 3.792 4.120 -0.003 0.000 0.246 86 V C 1.963 177.969 176.094 -0.147 0.000 1.047 86 V CA 2.444 64.651 62.300 -0.155 0.000 1.035 86 V CB -0.780 30.972 31.823 -0.118 0.000 0.658 86 V HN 0.413 nan 8.190 nan 0.000 0.452 87 H N -2.170 116.863 119.070 -0.061 0.000 2.535 87 H HA 0.087 4.641 4.556 -0.003 0.000 0.273 87 H C 1.700 176.913 175.328 -0.192 0.000 0.983 87 H CA 0.799 56.793 56.048 -0.090 0.000 1.238 87 H CB 0.206 29.910 29.762 -0.096 0.000 1.412 87 H HN 0.495 nan 8.280 nan 0.000 0.562 88 H N -2.025 116.822 119.070 -0.371 0.000 2.755 88 H HA 0.086 4.640 4.556 -0.003 0.000 0.273 88 H C 1.292 176.347 175.328 -0.455 0.000 1.055 88 H CA -0.205 55.553 56.048 -0.484 0.000 1.191 88 H CB 0.618 29.874 29.762 -0.844 0.000 1.536 88 H HN 0.365 nan 8.280 nan 0.000 0.529 89 C N 1.239 120.328 119.300 -0.353 0.000 2.508 89 C HA -0.035 4.423 4.460 -0.003 0.000 0.280 89 C C -0.186 174.613 174.990 -0.319 0.000 1.262 89 C CA 0.569 59.336 59.018 -0.418 0.000 1.706 89 C CB -0.871 26.581 27.740 -0.481 0.000 2.078 89 C HN 0.396 nan 8.230 nan 0.000 0.480 90 P HA -0.041 nan 4.420 nan 0.000 0.223 90 P C 1.179 178.403 177.300 -0.126 0.000 1.144 90 P CA 1.579 64.640 63.100 -0.066 0.000 0.783 90 P CB -0.237 31.518 31.700 0.092 0.000 0.771 91 T N -1.228 113.216 114.554 -0.184 0.000 2.937 91 T HA -0.022 4.326 4.350 -0.003 0.000 0.260 91 T C 1.545 176.098 174.700 -0.244 0.000 1.051 91 T CA 0.893 62.875 62.100 -0.196 0.000 1.141 91 T CB -0.306 68.422 68.868 -0.232 0.000 0.879 91 T HN 0.105 nan 8.240 nan 0.000 0.459 92 E N 0.484 120.510 120.200 -0.290 0.000 2.299 92 E HA 0.138 4.486 4.350 -0.003 0.000 0.193 92 E C 1.729 178.135 176.600 -0.323 0.000 0.998 92 E CA 0.515 56.748 56.400 -0.278 0.000 0.851 92 E CB -0.020 29.536 29.700 -0.240 0.000 0.795 92 E HN 0.335 nan 8.360 nan 0.000 0.492 93 M N -0.487 118.777 119.600 -0.560 0.000 2.334 93 M HA -0.002 4.476 4.480 -0.003 0.000 0.266 93 M C 1.999 177.942 176.300 -0.596 0.000 1.082 93 M CA 1.065 55.825 55.300 -0.900 0.000 1.141 93 M CB -0.420 30.861 32.600 -2.197 0.000 1.380 93 M HN -0.138 nan 8.290 nan 0.000 0.440 94 T N -0.453 113.878 114.554 -0.372 0.000 2.962 94 T HA -0.150 4.199 4.350 -0.003 0.000 0.270 94 T C 1.680 176.354 174.700 -0.044 0.000 1.088 94 T CA 1.149 63.234 62.100 -0.025 0.000 1.127 94 T CB -0.081 68.796 68.868 0.015 0.000 0.883 94 T HN 0.313 nan 8.240 nan 0.000 0.493 95 Q N 1.049 120.745 119.800 -0.174 0.000 2.119 95 Q HA 0.050 4.388 4.340 -0.003 0.000 0.201 95 Q C 1.972 177.809 176.000 -0.273 0.000 0.972 95 Q CA 1.336 56.934 55.803 -0.343 0.000 0.847 95 Q CB -0.512 27.933 28.738 -0.487 0.000 0.903 95 Q HN 0.489 nan 8.270 nan 0.000 0.433 96 L N 0.055 121.324 121.223 0.077 0.000 2.240 96 L HA -0.027 4.311 4.340 -0.003 0.000 0.211 96 L C 2.416 179.477 176.870 0.317 0.000 1.106 96 L CA 0.980 56.024 54.840 0.340 0.000 0.793 96 L CB -0.716 41.626 42.059 0.472 0.000 0.927 96 L HN 0.327 nan 8.230 nan 0.000 0.446 97 E N 1.246 121.685 120.200 0.399 0.000 2.118 97 E HA -0.191 4.157 4.350 -0.003 0.000 0.195 97 E C 2.252 178.952 176.600 0.167 0.000 0.992 97 E CA 1.200 57.806 56.400 0.343 0.000 0.804 97 E CB 0.033 29.991 29.700 0.431 0.000 0.741 97 E HN 0.522 nan 8.360 nan 0.000 0.458 98 L N -0.988 120.278 121.223 0.072 0.000 2.156 98 L HA -0.111 4.227 4.340 -0.003 0.000 0.208 98 L C 2.219 179.148 176.870 0.098 0.000 1.095 98 L CA 0.523 55.366 54.840 0.004 0.000 0.770 98 L CB -0.369 41.597 42.059 -0.154 0.000 0.914 98 L HN 0.201 nan 8.230 nan 0.000 0.439 99 W N 0.191 121.524 121.300 0.056 0.000 3.047 99 W HA 0.186 4.843 4.660 -0.004 0.000 0.250 99 W C 1.566 178.082 176.519 -0.005 0.000 1.314 99 W CA 0.992 58.355 57.345 0.029 0.000 1.540 99 W CB -0.358 29.122 29.460 0.032 0.000 1.127 99 W HN 0.366 nan 8.180 nan 0.000 0.679 100 G N -0.892 108.025 108.800 0.196 0.000 2.211 100 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.201 100 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.201 100 G C 0.184 175.086 174.900 0.004 0.000 0.997 100 G CA -0.314 44.833 45.100 0.079 0.000 0.652 100 G HN 0.098 nan 8.290 nan 0.000 0.500 101 C N 3.640 122.926 119.300 -0.023 0.000 2.634 101 C HA 0.535 4.993 4.460 -0.003 0.000 0.418 101 C C -1.575 173.184 174.990 -0.384 0.000 1.373 101 C CA -0.761 58.117 59.018 -0.233 0.000 1.756 101 C CB 0.283 27.807 27.740 -0.360 0.000 2.589 101 C HN 0.382 nan 8.230 nan 0.000 0.602 102 P HA 0.270 nan 4.420 nan 0.000 0.292 102 P C -1.419 175.615 177.300 -0.444 0.000 1.326 102 P CA -0.076 62.864 63.100 -0.267 0.000 0.787 102 P CB 0.216 31.863 31.700 -0.090 0.000 0.903 103 W N 1.608 122.919 121.300 0.018 0.000 2.478 103 W HA 0.373 5.031 4.660 -0.004 0.000 0.318 103 W C 0.258 176.661 176.519 -0.195 0.000 1.062 103 W CA -0.621 56.688 57.345 -0.059 0.000 1.210 103 W CB 0.919 30.421 29.460 0.070 0.000 1.325 103 W HN 0.202 nan 8.180 nan 0.000 0.496 104 S N 2.948 118.538 115.700 -0.184 0.000 2.546 104 S HA 0.193 4.661 4.470 -0.003 0.000 0.290 104 S C 0.127 174.606 174.600 -0.201 0.000 1.290 104 S CA -0.195 57.818 58.200 -0.312 0.000 1.069 104 S CB 0.191 62.975 63.200 -0.693 0.000 0.846 104 S HN 0.384 nan 8.310 nan 0.000 0.495 105 R N 1.315 121.756 120.500 -0.098 0.000 2.803 105 R HA 0.420 4.758 4.340 -0.003 0.000 0.276 105 R C -0.148 176.134 176.300 -0.030 0.000 0.978 105 R CA -0.904 55.163 56.100 -0.054 0.000 0.939 105 R CB 1.426 31.714 30.300 -0.020 0.000 1.179 105 R HN 0.544 nan 8.270 nan 0.000 0.472 106 R N 1.830 122.315 120.500 -0.025 0.000 2.734 106 R HA 0.020 4.358 4.340 -0.003 0.000 0.266 106 R C -1.536 174.761 176.300 -0.005 0.000 1.044 106 R CA -1.272 54.822 56.100 -0.009 0.000 1.128 106 R CB 0.112 30.402 30.300 -0.016 0.000 1.010 106 R HN 0.378 nan 8.270 nan 0.000 0.461 107 P HA -0.250 nan 4.420 nan 0.000 0.219 107 P C 0.280 177.581 177.300 0.001 0.000 1.153 107 P CA 1.771 64.873 63.100 0.003 0.000 0.865 107 P CB 0.061 31.764 31.700 0.005 0.000 0.788 108 D N -3.155 117.244 120.400 -0.002 0.000 2.323 108 D HA 0.111 4.749 4.640 -0.003 0.000 0.209 108 D C 1.448 177.746 176.300 -0.002 0.000 0.973 108 D CA 1.051 55.050 54.000 -0.002 0.000 0.874 108 D CB -0.674 40.123 40.800 -0.004 0.000 0.930 108 D HN 0.267 nan 8.370 nan 0.000 0.521 109 G N -0.805 107.992 108.800 -0.005 0.000 2.205 109 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.180 109 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.180 109 G C 0.174 175.069 174.900 -0.009 0.000 1.004 109 G CA -0.050 45.049 45.100 -0.002 0.000 0.670 109 G HN 0.312 nan 8.290 nan 0.000 0.496 110 S N 1.138 116.823 115.700 -0.025 0.000 2.537 110 S HA 0.409 4.877 4.470 -0.003 0.000 0.286 110 S C 1.004 175.554 174.600 -0.083 0.000 1.299 110 S CA 0.156 58.325 58.200 -0.051 0.000 1.067 110 S CB 1.442 64.607 63.200 -0.058 0.000 0.864 110 S HN 1.478 nan 8.310 nan 0.000 0.494 111 V N 2.403 122.243 119.914 -0.124 0.000 2.509 111 V HA 0.171 4.289 4.120 -0.003 0.000 0.297 111 V C 0.477 176.369 176.094 -0.336 0.000 1.014 111 V CA -0.633 61.539 62.300 -0.213 0.000 1.127 111 V CB -0.344 31.280 31.823 -0.331 0.000 0.925 111 V HN 0.715 nan 8.190 nan 0.000 0.480 112 N N 3.374 121.935 118.700 -0.232 0.000 2.489 112 N HA 0.732 5.470 4.740 -0.003 0.000 0.284 112 N C -0.753 174.723 175.510 -0.056 0.000 1.158 112 N CA -0.317 52.657 53.050 -0.125 0.000 0.965 112 N CB 1.885 40.388 38.487 0.025 0.000 1.195 112 N HN 0.943 nan 8.380 nan 0.000 0.506 113 V N -0.316 119.631 119.914 0.054 0.000 2.808 113 V HA 0.715 4.834 4.120 -0.003 0.000 0.308 113 V C -0.344 175.789 176.094 0.065 0.000 1.099 113 V CA -1.055 61.288 62.300 0.073 0.000 0.920 113 V CB 1.478 33.195 31.823 -0.177 0.000 1.014 113 V HN 0.830 nan 8.190 nan 0.000 0.425 114 R N 2.654 123.123 120.500 -0.052 0.000 2.943 114 R HA 0.729 5.067 4.340 -0.003 0.000 0.246 114 R C -0.455 175.852 176.300 0.011 0.000 1.201 114 R CA -1.078 54.930 56.100 -0.153 0.000 1.056 114 R CB 1.857 31.859 30.300 -0.496 0.000 1.243 114 R HN 0.754 nan 8.270 nan 0.000 0.498 115 R N 0.862 121.361 120.500 -0.001 0.000 2.254 115 R HA 0.335 4.673 4.340 -0.003 0.000 0.318 115 R C -1.536 174.790 176.300 0.043 0.000 1.031 115 R CA -0.240 55.875 56.100 0.026 0.000 0.905 115 R CB 0.564 30.833 30.300 -0.053 0.000 1.050 115 R HN 0.510 nan 8.270 nan 0.000 0.456 116 F N 1.375 121.303 119.950 -0.037 0.000 2.569 116 F HA 0.335 4.860 4.527 -0.003 0.000 0.312 116 F C 0.731 176.525 175.800 -0.011 0.000 1.109 116 F CA -0.096 57.897 58.000 -0.013 0.000 0.919 116 F CB 2.515 41.526 39.000 0.018 0.000 1.211 116 F HN 0.789 nan 8.300 nan 0.000 0.446 117 G N 1.792 110.644 108.800 0.087 0.000 2.249 117 G HA2 0.119 4.077 3.960 -0.003 0.000 0.273 117 G HA3 0.119 4.077 3.960 -0.003 0.000 0.273 117 G C 1.004 175.911 174.900 0.012 0.000 1.036 117 G CA 0.724 45.855 45.100 0.052 0.000 0.824 117 G HN 2.046 nan 8.290 nan 0.000 0.504 118 G N -1.738 107.056 108.800 -0.009 0.000 2.175 118 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.244 118 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.244 118 G C 0.592 175.491 174.900 -0.001 0.000 0.982 118 G CA 0.509 45.602 45.100 -0.012 0.000 0.641 118 G HN 1.053 nan 8.290 nan 0.000 0.527 119 M N 1.134 120.735 119.600 0.002 0.000 2.611 119 M HA 0.066 4.544 4.480 -0.003 0.000 0.361 119 M C 1.637 177.933 176.300 -0.007 0.000 1.761 119 M CA 0.730 56.025 55.300 -0.008 0.000 1.145 119 M CB 0.551 33.140 32.600 -0.018 0.000 2.121 119 M HN 0.432 nan 8.290 nan 0.000 0.465 120 K N 3.598 124.004 120.400 0.010 0.000 2.032 120 K HA -0.070 4.248 4.320 -0.003 0.000 0.209 120 K C 0.365 176.947 176.600 -0.031 0.000 1.048 120 K CA 1.039 57.331 56.287 0.009 0.000 0.927 120 K CB 0.385 32.915 32.500 0.049 0.000 0.712 120 K HN 0.466 nan 8.250 nan 0.000 0.441 121 I N 3.578 124.112 120.570 -0.061 0.000 2.321 121 I HA 0.035 4.203 4.170 -0.003 0.000 0.291 121 I C -0.172 175.901 176.117 -0.073 0.000 0.998 121 I CA -0.660 60.580 61.300 -0.099 0.000 1.227 121 I CB 1.187 39.076 38.000 -0.185 0.000 1.368 121 I HN 0.272 nan 8.210 nan 0.000 0.466 122 E N 8.260 128.424 120.200 -0.061 0.000 2.299 122 E HA 0.076 4.425 4.350 -0.003 0.000 0.272 122 E C -0.003 176.578 176.600 -0.033 0.000 1.043 122 E CA -0.267 56.111 56.400 -0.038 0.000 0.895 122 E CB 0.500 30.176 29.700 -0.040 0.000 1.011 122 E HN 0.758 nan 8.360 nan 0.000 0.432 123 R N 1.152 121.652 120.500 0.000 0.000 2.582 123 R HA 0.213 4.551 4.340 -0.003 0.000 0.453 123 R C -0.742 175.649 176.300 0.151 0.000 0.969 123 R CA -0.597 55.525 56.100 0.037 0.000 1.113 123 R CB -0.022 30.296 30.300 0.029 0.000 1.507 123 R HN 0.207 nan 8.270 nan 0.000 0.587 124 T N 1.905 116.543 114.554 0.141 0.000 2.738 124 T HA 0.225 4.573 4.350 -0.003 0.000 0.298 124 T C -0.794 174.081 174.700 0.291 0.000 0.962 124 T CA -0.295 61.937 62.100 0.219 0.000 0.972 124 T CB 0.249 69.212 68.868 0.158 0.000 0.928 124 T HN 0.157 nan 8.240 nan 0.000 0.474 125 W N 4.854 126.172 121.300 0.030 0.000 2.190 125 W HA 0.500 5.159 4.660 -0.003 0.000 0.330 125 W C 0.065 176.787 176.519 0.338 0.000 1.299 125 W CA -0.932 56.417 57.345 0.006 0.000 1.215 125 W CB -0.192 28.901 29.460 -0.612 0.000 1.147 125 W HN 0.623 nan 8.180 nan 0.000 0.563 126 F N -0.011 120.188 119.950 0.415 0.000 2.641 126 F HA 0.788 5.313 4.527 -0.003 0.000 0.308 126 F C -0.901 175.142 175.800 0.406 0.000 1.105 126 F CA -1.914 56.317 58.000 0.385 0.000 0.964 126 F CB 1.132 40.246 39.000 0.190 0.000 1.294 126 F HN 0.386 nan 8.300 nan 0.000 0.442 127 A N 3.286 126.216 122.820 0.182 0.000 2.431 127 A HA 0.807 5.125 4.320 -0.003 0.000 0.318 127 A C 0.644 178.162 177.584 -0.110 0.000 1.330 127 A CA -0.063 51.892 52.037 -0.137 0.000 0.804 127 A CB 0.007 18.795 19.000 -0.353 0.000 1.135 127 A HN 2.575 nan 8.150 nan 0.000 0.483 128 A N 2.475 125.253 122.820 -0.071 0.000 5.318 128 A HA -0.279 4.039 4.320 -0.003 0.000 0.329 128 A C 0.691 178.407 177.584 0.221 0.000 1.789 128 A CA 2.041 54.124 52.037 0.077 0.000 0.711 128 A CB -1.377 17.614 19.000 -0.015 0.000 1.398 128 A HN 0.719 nan 8.150 nan 0.000 0.392 129 D N -0.009 120.474 120.400 0.138 0.000 2.571 129 D HA 0.366 5.004 4.640 -0.003 0.000 0.239 129 D C 0.447 176.812 176.300 0.108 0.000 1.267 129 D CA 0.189 54.291 54.000 0.170 0.000 0.823 129 D CB 0.424 41.335 40.800 0.185 0.000 1.056 129 D HN 0.523 nan 8.370 nan 0.000 0.494 130 K N -0.432 119.993 120.400 0.042 0.000 2.514 130 K HA 0.140 4.458 4.320 -0.003 0.000 0.207 130 K C 1.058 177.750 176.600 0.154 0.000 1.035 130 K CA 0.048 56.373 56.287 0.063 0.000 1.113 130 K CB 0.791 33.308 32.500 0.028 0.000 0.846 130 K HN -0.099 nan 8.250 nan 0.000 0.491 131 T N 0.338 114.975 114.554 0.140 0.000 2.720 131 T HA -0.152 4.196 4.350 -0.003 0.000 0.268 131 T C 1.989 176.819 174.700 0.217 0.000 1.037 131 T CA 1.805 64.013 62.100 0.180 0.000 1.144 131 T CB -0.217 68.812 68.868 0.269 0.000 0.864 131 T HN 0.499 nan 8.240 nan 0.000 0.444 132 G N 0.646 109.578 108.800 0.220 0.000 2.402 132 G HA2 -0.148 3.810 3.960 -0.003 0.000 0.216 132 G HA3 -0.148 3.810 3.960 -0.003 0.000 0.216 132 G C 1.355 176.394 174.900 0.231 0.000 1.162 132 G CA 0.472 45.701 45.100 0.214 0.000 0.777 132 G HN 0.490 nan 8.290 nan 0.000 0.539 133 F N 1.221 121.247 119.950 0.126 0.000 2.102 133 F HA -0.058 4.467 4.527 -0.003 0.000 0.298 133 F C 2.543 178.443 175.800 0.167 0.000 1.105 133 F CA 1.945 60.024 58.000 0.131 0.000 1.239 133 F CB -0.377 38.658 39.000 0.059 0.000 0.991 133 F HN 0.204 nan 8.300 nan 0.000 0.474 134 H N -0.114 118.885 119.070 -0.118 0.000 2.321 134 H HA -0.128 4.427 4.556 -0.003 0.000 0.300 134 H C 2.352 177.559 175.328 -0.202 0.000 1.087 134 H CA 2.368 58.257 56.048 -0.265 0.000 1.319 134 H CB -0.377 29.293 29.762 -0.154 0.000 1.379 134 H HN 0.262 nan 8.280 nan 0.000 0.501 135 M N -0.661 118.958 119.600 0.031 0.000 2.065 135 M HA -0.159 4.319 4.480 -0.003 0.000 0.259 135 M C 2.329 178.643 176.300 0.024 0.000 1.071 135 M CA 1.368 56.696 55.300 0.047 0.000 1.109 135 M CB -0.560 32.130 32.600 0.151 0.000 1.313 135 M HN 0.265 nan 8.290 nan 0.000 0.408 136 L N 0.072 121.311 121.223 0.027 0.000 2.010 136 L HA -0.281 4.057 4.340 -0.003 0.000 0.219 136 L C 2.207 179.050 176.870 -0.045 0.000 1.077 136 L CA 2.222 57.062 54.840 0.000 0.000 0.773 136 L CB -0.878 41.185 42.059 0.008 0.000 0.892 136 L HN 0.236 nan 8.230 nan 0.000 0.436 137 H N -1.168 117.777 119.070 -0.207 0.000 2.270 137 H HA -0.131 4.423 4.556 -0.003 0.000 0.299 137 H C 2.185 177.419 175.328 -0.157 0.000 1.077 137 H CA 2.278 58.215 56.048 -0.185 0.000 1.294 137 H CB -0.613 28.836 29.762 -0.521 0.000 1.371 137 H HN 0.354 nan 8.280 nan 0.000 0.491 138 T N 0.847 115.351 114.554 -0.083 0.000 2.737 138 T HA -0.179 4.169 4.350 -0.003 0.000 0.269 138 T C 2.115 176.720 174.700 -0.158 0.000 1.040 138 T CA 1.457 63.494 62.100 -0.104 0.000 1.142 138 T CB -0.347 68.486 68.868 -0.058 0.000 0.861 138 T HN 0.149 nan 8.240 nan 0.000 0.456 139 L N -0.138 121.010 121.223 -0.125 0.000 2.007 139 L HA 0.036 4.374 4.340 -0.003 0.000 0.205 139 L C 2.289 178.999 176.870 -0.266 0.000 1.073 139 L CA 1.470 56.167 54.840 -0.238 0.000 0.744 139 L CB -0.716 41.286 42.059 -0.095 0.000 0.898 139 L HN 0.227 nan 8.230 nan 0.000 0.435 140 F N 1.129 120.936 119.950 -0.238 0.000 2.091 140 F HA -0.289 4.235 4.527 -0.004 0.000 0.299 140 F C 2.520 178.196 175.800 -0.207 0.000 1.103 140 F CA 1.745 59.613 58.000 -0.221 0.000 1.228 140 F CB -0.657 38.203 39.000 -0.233 0.000 0.984 140 F HN 0.066 nan 8.300 nan 0.000 0.477 141 Q N -0.331 118.881 119.800 -0.980 0.000 2.226 141 Q HA -0.145 4.193 4.340 -0.003 0.000 0.204 141 Q C 2.026 177.672 176.000 -0.590 0.000 0.975 141 Q CA 1.951 57.165 55.803 -0.982 0.000 0.866 141 Q CB -0.398 28.038 28.738 -0.502 0.000 0.915 141 Q HN 0.464 nan 8.270 nan 0.000 0.440 142 T N 0.221 114.480 114.554 -0.491 0.000 2.951 142 T HA -0.101 4.247 4.350 -0.003 0.000 0.268 142 T C 1.953 176.470 174.700 -0.305 0.000 1.073 142 T CA 1.142 62.980 62.100 -0.437 0.000 1.134 142 T CB -0.137 68.264 68.868 -0.778 0.000 0.884 142 T HN 0.419 nan 8.240 nan 0.000 0.479 143 S N 1.745 117.244 115.700 -0.336 0.000 2.469 143 S HA -0.015 4.453 4.470 -0.003 0.000 0.238 143 S C 1.821 176.372 174.600 -0.082 0.000 0.998 143 S CA 0.701 58.798 58.200 -0.171 0.000 0.957 143 S CB -0.752 62.374 63.200 -0.123 0.000 0.764 143 S HN 0.565 nan 8.310 nan 0.000 0.514 144 L N 0.126 121.245 121.223 -0.173 0.000 2.416 144 L HA 0.227 4.565 4.340 -0.003 0.000 0.216 144 L C 2.813 179.620 176.870 -0.104 0.000 1.098 144 L CA 0.563 55.325 54.840 -0.130 0.000 0.840 144 L CB -0.658 41.285 42.059 -0.193 0.000 0.981 144 L HN 0.322 nan 8.230 nan 0.000 0.462 145 Q N 1.002 120.726 119.800 -0.126 0.000 2.291 145 Q HA -0.094 4.244 4.340 -0.003 0.000 0.206 145 Q C -0.179 175.585 176.000 -0.394 0.000 0.976 145 Q CA 1.097 56.746 55.803 -0.257 0.000 0.875 145 Q CB 0.181 28.728 28.738 -0.319 0.000 0.927 145 Q HN 0.379 nan 8.270 nan 0.000 0.450 146 F N 0.092 119.986 119.950 -0.093 0.000 2.308 146 F HA 0.311 4.836 4.527 -0.004 0.000 0.370 146 F C -1.843 173.918 175.800 -0.066 0.000 1.100 146 F CA -2.632 55.331 58.000 -0.062 0.000 1.108 146 F CB 1.499 40.466 39.000 -0.055 0.000 1.293 146 F HN -0.001 nan 8.300 nan 0.000 0.478 147 P HA -0.126 nan 4.420 nan 0.000 0.223 147 P C 1.061 178.376 177.300 0.024 0.000 1.151 147 P CA 1.034 64.140 63.100 0.010 0.000 0.787 147 P CB 0.208 31.900 31.700 -0.015 0.000 0.788 148 Q N -0.215 119.620 119.800 0.060 0.000 2.234 148 Q HA -0.081 4.257 4.340 -0.003 0.000 0.206 148 Q C 0.702 176.716 176.000 0.022 0.000 0.980 148 Q CA 0.742 56.574 55.803 0.048 0.000 0.869 148 Q CB -0.966 27.814 28.738 0.069 0.000 0.912 148 Q HN 0.322 nan 8.270 nan 0.000 0.436 149 I N 2.098 122.679 120.570 0.018 0.000 2.471 149 I HA -0.038 4.130 4.170 -0.003 0.000 0.294 149 I C 0.242 176.312 176.117 -0.080 0.000 1.123 149 I CA -0.407 60.876 61.300 -0.027 0.000 1.336 149 I CB 0.165 38.150 38.000 -0.025 0.000 1.430 149 I HN 0.034 nan 8.210 nan 0.000 0.533 150 Q N 7.818 127.552 119.800 -0.110 0.000 2.452 150 Q HA 0.174 4.512 4.340 -0.003 0.000 0.230 150 Q C -0.254 175.479 176.000 -0.446 0.000 1.180 150 Q CA 0.064 55.711 55.803 -0.260 0.000 0.914 150 Q CB 0.123 28.762 28.738 -0.166 0.000 1.408 150 Q HN 0.418 nan 8.270 nan 0.000 0.520 151 R N 2.258 122.514 120.500 -0.407 0.000 2.679 151 R HA 0.359 4.697 4.340 -0.003 0.000 0.269 151 R C -0.637 175.269 176.300 -0.656 0.000 1.076 151 R CA 0.113 56.011 56.100 -0.337 0.000 1.160 151 R CB 0.591 30.814 30.300 -0.130 0.000 1.054 151 R HN 0.416 nan 8.270 nan 0.000 0.507 152 F N 0.182 120.074 119.950 -0.096 0.000 2.588 152 F HA 0.227 4.752 4.527 -0.004 0.000 0.318 152 F C -0.605 175.274 175.800 0.132 0.000 1.155 152 F CA -1.057 56.891 58.000 -0.086 0.000 0.967 152 F CB 1.913 40.515 39.000 -0.663 0.000 1.236 152 F HN 0.309 nan 8.300 nan 0.000 0.455 153 D N 3.096 123.791 120.400 0.492 0.000 2.185 153 D HA 0.363 5.001 4.640 -0.003 0.000 0.247 153 D C -0.206 175.986 176.300 -0.179 0.000 1.027 153 D CA -0.091 53.990 54.000 0.135 0.000 0.861 153 D CB 1.349 42.203 40.800 0.090 0.000 1.202 153 D HN 0.484 nan 8.370 nan 0.000 0.453 154 E N 1.367 121.363 120.200 -0.341 0.000 2.287 154 E HA -0.179 4.169 4.350 -0.003 0.000 0.229 154 E C -0.754 175.538 176.600 -0.514 0.000 1.194 154 E CA 0.678 56.827 56.400 -0.418 0.000 0.704 154 E CB -1.609 27.864 29.700 -0.377 0.000 1.216 154 E HN 0.597 nan 8.360 nan 0.000 0.381 155 H N -0.517 118.475 119.070 -0.129 0.000 2.689 155 H HA 0.473 5.027 4.556 -0.003 0.000 0.346 155 H C -0.650 174.622 175.328 -0.094 0.000 1.037 155 H CA -0.670 55.306 56.048 -0.120 0.000 1.234 155 H CB 1.286 30.953 29.762 -0.159 0.000 1.572 155 H HN 0.055 nan 8.280 nan 0.000 0.524 156 F N 3.533 123.413 119.950 -0.116 0.000 2.426 156 F HA 0.244 4.769 4.527 -0.003 0.000 0.348 156 F C 0.373 176.095 175.800 -0.130 0.000 1.124 156 F CA -0.896 57.011 58.000 -0.154 0.000 1.008 156 F CB 1.113 39.973 39.000 -0.234 0.000 1.139 156 F HN 0.392 nan 8.300 nan 0.000 0.452 157 V N 5.647 125.397 119.914 -0.274 0.000 2.924 157 V HA 0.240 4.358 4.120 -0.003 0.000 0.305 157 V C 0.005 176.109 176.094 0.017 0.000 1.073 157 V CA -0.075 62.146 62.300 -0.132 0.000 1.098 157 V CB 1.402 33.105 31.823 -0.201 0.000 1.000 157 V HN 1.001 nan 8.190 nan 0.000 0.484 158 L N 0.780 122.028 121.223 0.042 0.000 2.803 158 L HA 0.547 4.885 4.340 -0.003 0.000 0.246 158 L C 0.061 176.997 176.870 0.110 0.000 1.100 158 L CA 0.492 55.393 54.840 0.101 0.000 0.919 158 L CB 0.607 42.711 42.059 0.076 0.000 1.285 158 L HN 0.954 nan 8.230 nan 0.000 0.522 159 D N -0.254 120.184 120.400 0.064 0.000 2.751 159 D HA 0.262 4.900 4.640 -0.003 0.000 0.236 159 D C -0.940 175.383 176.300 0.037 0.000 1.196 159 D CA -0.504 53.534 54.000 0.063 0.000 0.741 159 D CB 1.262 42.098 40.800 0.061 0.000 1.474 159 D HN 0.087 nan 8.370 nan 0.000 0.452 160 I N -1.021 119.574 120.570 0.042 0.000 3.078 160 I HA 0.712 4.881 4.170 -0.003 0.000 0.318 160 I C -0.546 175.615 176.117 0.073 0.000 1.016 160 I CA -0.858 60.464 61.300 0.037 0.000 1.130 160 I CB 0.921 38.920 38.000 -0.001 0.000 1.397 160 I HN 0.269 nan 8.210 nan 0.000 0.570 161 L N 2.886 124.154 121.223 0.075 0.000 2.408 161 L HA 0.668 5.006 4.340 -0.003 0.000 0.268 161 L C -0.847 176.087 176.870 0.106 0.000 0.986 161 L CA -0.806 54.082 54.840 0.081 0.000 0.820 161 L CB 2.048 44.139 42.059 0.054 0.000 1.303 161 L HN 0.386 nan 8.230 nan 0.000 0.411 162 V N 1.287 121.261 119.914 0.100 0.000 2.588 162 V HA 0.461 4.580 4.120 -0.003 0.000 0.304 162 V C -1.332 174.797 176.094 0.059 0.000 1.042 162 V CA -0.288 62.074 62.300 0.103 0.000 0.877 162 V CB 2.304 34.201 31.823 0.122 0.000 0.996 162 V HN 0.702 nan 8.190 nan 0.000 0.425 163 D N 3.591 124.034 120.400 0.072 0.000 2.420 163 D HA 0.355 4.993 4.640 -0.003 0.000 0.255 163 D C -0.395 175.936 176.300 0.053 0.000 1.185 163 D CA -0.215 53.813 54.000 0.048 0.000 0.904 163 D CB 0.750 41.576 40.800 0.043 0.000 1.102 163 D HN 0.649 nan 8.370 nan 0.000 0.534 164 D N 2.448 122.868 120.400 0.032 0.000 2.705 164 D HA -0.118 4.520 4.640 -0.003 0.000 0.240 164 D C 0.847 177.184 176.300 0.062 0.000 1.137 164 D CA 1.501 55.519 54.000 0.030 0.000 0.677 164 D CB -0.939 39.874 40.800 0.021 0.000 1.049 164 D HN 0.754 nan 8.370 nan 0.000 0.427 165 G N 0.484 109.325 108.800 0.068 0.000 2.256 165 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.272 165 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.272 165 G C -0.245 174.747 174.900 0.154 0.000 1.076 165 G CA 0.352 45.507 45.100 0.092 0.000 0.882 165 G HN 0.737 nan 8.290 nan 0.000 0.497 166 H N -1.253 117.852 119.070 0.057 0.000 3.026 166 H HA 0.412 4.967 4.556 -0.002 0.000 0.352 166 H C -0.030 175.334 175.328 0.061 0.000 1.090 166 H CA 0.087 56.164 56.048 0.049 0.000 1.268 166 H CB 2.224 32.006 29.762 0.033 0.000 1.816 166 H HN 0.610 nan 8.280 nan 0.000 0.518 167 V N 3.400 123.323 119.914 0.014 0.000 2.432 167 V HA 0.477 4.595 4.120 -0.003 0.000 0.271 167 V C 0.383 176.552 176.094 0.126 0.000 1.046 167 V CA -0.561 61.773 62.300 0.058 0.000 0.945 167 V CB 0.600 32.408 31.823 -0.025 0.000 0.992 167 V HN 0.584 nan 8.190 nan 0.000 0.471 168 R N 4.719 125.289 120.500 0.117 0.000 2.790 168 R HA 0.614 4.952 4.340 -0.003 0.000 0.274 168 R C 0.714 177.055 176.300 0.069 0.000 1.334 168 R CA 0.194 56.357 56.100 0.106 0.000 1.543 168 R CB 0.758 31.112 30.300 0.091 0.000 1.154 168 R HN 1.379 nan 8.270 nan 0.000 0.601 169 G N 1.761 110.597 108.800 0.059 0.000 2.660 169 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.215 169 G HA3 -0.193 3.765 3.960 -0.003 0.000 0.215 169 G C -0.892 174.020 174.900 0.020 0.000 1.345 169 G CA -0.414 44.708 45.100 0.038 0.000 0.877 169 G HN 0.390 nan 8.290 nan 0.000 0.549 170 L N -3.494 117.732 121.223 0.005 0.000 2.479 170 L HA 0.916 5.254 4.340 -0.003 0.000 0.255 170 L C -0.313 176.548 176.870 -0.015 0.000 1.026 170 L CA -1.363 53.472 54.840 -0.009 0.000 0.842 170 L CB 0.903 42.943 42.059 -0.031 0.000 1.444 170 L HN 1.117 nan 8.230 nan 0.000 0.409 171 V N 0.929 120.837 119.914 -0.010 0.000 2.409 171 V HA 0.906 5.024 4.120 -0.003 0.000 0.291 171 V C 0.510 176.594 176.094 -0.016 0.000 1.020 171 V CA -0.051 62.243 62.300 -0.010 0.000 0.848 171 V CB 0.831 32.658 31.823 0.006 0.000 0.990 171 V HN 1.205 nan 8.190 nan 0.000 0.430 172 A N 5.329 128.131 122.820 -0.030 0.000 2.344 172 A HA 0.952 5.270 4.320 -0.003 0.000 0.307 172 A C -0.568 177.007 177.584 -0.015 0.000 1.151 172 A CA -0.787 51.235 52.037 -0.024 0.000 0.842 172 A CB 2.059 21.026 19.000 -0.055 0.000 1.350 172 A HN 0.689 nan 8.150 nan 0.000 0.459 173 M N 2.624 122.222 119.600 -0.003 0.000 2.006 173 M HA 0.215 4.693 4.480 -0.003 0.000 0.314 173 M C -0.723 175.549 176.300 -0.047 0.000 0.926 173 M CA -0.652 54.628 55.300 -0.034 0.000 0.906 173 M CB 0.277 32.843 32.600 -0.056 0.000 1.422 173 M HN 0.833 nan 8.290 nan 0.000 0.397 174 N N 4.583 123.257 118.700 -0.043 0.000 2.423 174 N HA 0.026 4.764 4.740 -0.003 0.000 0.275 174 N C 0.828 176.241 175.510 -0.162 0.000 1.283 174 N CA 0.385 53.393 53.050 -0.071 0.000 0.932 174 N CB 0.398 38.875 38.487 -0.015 0.000 1.185 174 N HN 0.715 nan 8.380 nan 0.000 0.483 175 M N 2.515 121.969 119.600 -0.244 0.000 2.082 175 M HA -0.246 4.232 4.480 -0.003 0.000 0.258 175 M C 1.865 178.075 176.300 -0.150 0.000 1.071 175 M CA 1.654 56.768 55.300 -0.309 0.000 1.103 175 M CB -0.237 32.055 32.600 -0.514 0.000 1.307 175 M HN 0.532 nan 8.290 nan 0.000 0.409 176 M N -0.027 119.549 119.600 -0.040 0.000 2.065 176 M HA -0.189 4.289 4.480 -0.003 0.000 0.259 176 M C 2.147 178.472 176.300 0.041 0.000 1.069 176 M CA 1.846 57.212 55.300 0.111 0.000 1.110 176 M CB -1.199 31.432 32.600 0.052 0.000 1.328 176 M HN 0.222 nan 8.290 nan 0.000 0.405 177 E N -1.009 119.179 120.200 -0.019 0.000 2.072 177 E HA 0.000 4.348 4.350 -0.003 0.000 0.190 177 E C 1.552 178.140 176.600 -0.020 0.000 0.982 177 E CA 1.159 57.553 56.400 -0.010 0.000 0.803 177 E CB -0.250 29.442 29.700 -0.013 0.000 0.755 177 E HN 0.669 nan 8.360 nan 0.000 0.453 178 G N 1.802 110.572 108.800 -0.049 0.000 2.159 178 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.256 178 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.256 178 G C 0.469 175.339 174.900 -0.049 0.000 0.977 178 G CA 0.793 45.856 45.100 -0.061 0.000 0.652 178 G HN 0.376 nan 8.290 nan 0.000 0.531 179 T N 0.075 114.606 114.554 -0.037 0.000 2.845 179 T HA 0.686 5.035 4.350 -0.003 0.000 0.288 179 T C 0.419 175.102 174.700 -0.029 0.000 0.980 179 T CA -1.071 61.013 62.100 -0.026 0.000 1.071 179 T CB 2.110 70.971 68.868 -0.013 0.000 0.941 179 T HN 0.348 nan 8.240 nan 0.000 0.487 180 L N 3.460 124.668 121.223 -0.025 0.000 2.455 180 L HA 0.433 4.771 4.340 -0.003 0.000 0.272 180 L C 0.174 177.033 176.870 -0.019 0.000 1.174 180 L CA -0.238 54.589 54.840 -0.023 0.000 0.869 180 L CB -0.239 41.809 42.059 -0.018 0.000 1.130 180 L HN 0.582 nan 8.230 nan 0.000 0.474 181 V N 3.217 123.116 119.914 -0.026 0.000 3.040 181 V HA 0.538 4.656 4.120 -0.003 0.000 0.312 181 V C -0.325 175.753 176.094 -0.027 0.000 1.115 181 V CA -0.796 61.486 62.300 -0.030 0.000 0.998 181 V CB 2.630 34.413 31.823 -0.067 0.000 1.042 181 V HN 0.843 nan 8.190 nan 0.000 0.433 182 Q N 1.577 121.371 119.800 -0.009 0.000 2.323 182 Q HA 0.752 5.090 4.340 -0.003 0.000 0.271 182 Q C -1.956 174.060 176.000 0.027 0.000 1.048 182 Q CA -0.507 55.297 55.803 0.003 0.000 0.792 182 Q CB 2.179 30.927 28.738 0.015 0.000 1.280 182 Q HN 0.676 nan 8.270 nan 0.000 0.441 183 I N 1.728 122.309 120.570 0.019 0.000 3.067 183 I HA 0.602 4.770 4.170 -0.003 0.000 0.312 183 I C -0.612 175.542 176.117 0.062 0.000 1.073 183 I CA -0.858 60.476 61.300 0.057 0.000 1.016 183 I CB 1.750 39.748 38.000 -0.003 0.000 1.227 183 I HN 0.443 nan 8.210 nan 0.000 0.456 184 R N 2.493 123.046 120.500 0.088 0.000 2.575 184 R HA 0.926 5.264 4.340 -0.003 0.000 0.293 184 R C -1.503 174.842 176.300 0.075 0.000 0.983 184 R CA -1.121 55.022 56.100 0.073 0.000 0.887 184 R CB 1.868 32.208 30.300 0.066 0.000 1.184 184 R HN 0.826 nan 8.270 nan 0.000 0.445 185 A N 1.842 124.704 122.820 0.069 0.000 2.582 185 A HA 0.338 4.656 4.320 -0.003 0.000 0.297 185 A C -0.376 177.268 177.584 0.100 0.000 1.059 185 A CA -0.697 51.384 52.037 0.073 0.000 0.705 185 A CB 1.328 20.363 19.000 0.058 0.000 1.279 185 A HN 0.569 nan 8.150 nan 0.000 0.404 186 N N 0.411 119.179 118.700 0.114 0.000 2.409 186 N HA 0.221 4.959 4.740 -0.003 0.000 0.179 186 N C 0.354 176.011 175.510 0.245 0.000 1.032 186 N CA 1.457 54.619 53.050 0.186 0.000 0.898 186 N CB 0.350 38.922 38.487 0.142 0.000 0.971 186 N HN 0.972 nan 8.380 nan 0.000 0.441 187 A N 0.275 123.194 122.820 0.165 0.000 2.522 187 A HA 0.512 4.830 4.320 -0.003 0.000 0.285 187 A C -0.794 176.864 177.584 0.122 0.000 1.198 187 A CA -0.559 51.601 52.037 0.204 0.000 0.742 187 A CB 0.818 19.935 19.000 0.196 0.000 1.176 187 A HN -0.107 nan 8.150 nan 0.000 0.444 188 V N 3.018 123.018 119.914 0.144 0.000 2.432 188 V HA 0.420 4.538 4.120 -0.003 0.000 0.275 188 V C 0.183 176.361 176.094 0.140 0.000 1.043 188 V CA -0.378 61.971 62.300 0.081 0.000 0.925 188 V CB 1.289 33.129 31.823 0.028 0.000 0.985 188 V HN 0.591 nan 8.190 nan 0.000 0.466 189 V N 5.580 125.527 119.914 0.055 0.000 2.630 189 V HA 0.536 4.654 4.120 -0.003 0.000 0.305 189 V C 0.002 176.111 176.094 0.024 0.000 1.046 189 V CA -0.712 61.629 62.300 0.068 0.000 0.934 189 V CB 1.941 33.741 31.823 -0.038 0.000 1.003 189 V HN 0.709 nan 8.190 nan 0.000 0.451 190 M N 3.682 123.304 119.600 0.037 0.000 2.125 190 M HA 0.631 5.109 4.480 -0.003 0.000 0.321 190 M C -0.355 175.942 176.300 -0.004 0.000 0.983 190 M CA -0.329 54.967 55.300 -0.007 0.000 0.934 190 M CB 1.302 33.888 32.600 -0.023 0.000 1.542 190 M HN 0.800 nan 8.290 nan 0.000 0.424 191 A N 2.485 125.290 122.820 -0.025 0.000 2.815 191 A HA 0.499 4.817 4.320 -0.003 0.000 0.318 191 A C 0.449 178.004 177.584 -0.049 0.000 1.186 191 A CA -0.346 51.680 52.037 -0.018 0.000 0.754 191 A CB 0.572 19.573 19.000 0.002 0.000 1.151 191 A HN 0.776 nan 8.150 nan 0.000 0.452 192 T N 0.552 115.068 114.554 -0.063 0.000 3.010 192 T HA 0.479 4.827 4.350 -0.003 0.000 0.257 192 T C 0.992 175.647 174.700 -0.075 0.000 1.020 192 T CA 1.597 63.643 62.100 -0.089 0.000 0.938 192 T CB -0.435 68.366 68.868 -0.113 0.000 1.049 192 T HN 2.424 nan 8.240 nan 0.000 0.522 193 G N -0.189 108.570 108.800 -0.068 0.000 2.760 193 G HA2 0.189 4.147 3.960 -0.003 0.000 0.246 193 G HA3 0.189 4.147 3.960 -0.003 0.000 0.246 193 G C 0.071 174.887 174.900 -0.139 0.000 1.359 193 G CA -0.547 44.496 45.100 -0.095 0.000 0.861 193 G HN 0.737 nan 8.290 nan 0.000 0.541 194 G N -1.363 107.312 108.800 -0.209 0.000 2.552 194 G HA2 0.765 4.723 3.960 -0.003 0.000 0.318 194 G HA3 0.765 4.723 3.960 -0.003 0.000 0.318 194 G C 0.547 175.344 174.900 -0.171 0.000 1.240 194 G CA 0.341 45.301 45.100 -0.233 0.000 1.002 194 G HN 2.076 nan 8.290 nan 0.000 0.493 195 A N 0.088 122.824 122.820 -0.139 0.000 3.063 195 A HA 0.497 4.815 4.320 -0.003 0.000 0.263 195 A C 1.625 179.166 177.584 -0.073 0.000 1.736 195 A CA 0.473 52.453 52.037 -0.094 0.000 1.408 195 A CB -0.659 18.290 19.000 -0.084 0.000 1.108 195 A HN 0.972 nan 8.150 nan 0.000 0.621 196 G N 0.289 109.029 108.800 -0.100 0.000 2.394 196 G HA2 -0.109 3.849 3.960 -0.003 0.000 0.215 196 G HA3 -0.109 3.849 3.960 -0.003 0.000 0.215 196 G C 1.303 176.194 174.900 -0.015 0.000 1.165 196 G CA 0.316 45.371 45.100 -0.075 0.000 0.784 196 G HN 0.509 nan 8.290 nan 0.000 0.535 197 R N 0.925 121.400 120.500 -0.041 0.000 2.893 197 R HA 0.354 4.692 4.340 -0.003 0.000 0.317 197 R C 1.195 177.483 176.300 -0.021 0.000 1.239 197 R CA -0.354 55.736 56.100 -0.017 0.000 1.128 197 R CB -0.651 29.637 30.300 -0.020 0.000 1.377 197 R HN 0.181 nan 8.270 nan 0.000 0.583 198 V N -0.506 119.370 119.914 -0.062 0.000 2.825 198 V HA 0.132 4.250 4.120 -0.003 0.000 0.246 198 V C 0.595 176.606 176.094 -0.138 0.000 1.068 198 V CA 0.407 62.629 62.300 -0.130 0.000 1.088 198 V CB -0.587 31.098 31.823 -0.230 0.000 0.733 198 V HN 0.149 nan 8.190 nan 0.000 0.468 199 Y N 0.798 121.092 120.300 -0.010 0.000 2.411 199 Y HA 0.153 4.701 4.550 -0.003 0.000 0.333 199 Y C 1.884 177.769 175.900 -0.025 0.000 1.186 199 Y CA 0.123 58.226 58.100 0.005 0.000 1.381 199 Y CB 0.481 38.944 38.460 0.006 0.000 1.273 199 Y HN -0.063 nan 8.280 nan 0.000 0.546 200 R N 1.957 122.542 120.500 0.141 0.000 2.080 200 R HA -0.164 4.174 4.340 -0.003 0.000 0.236 200 R C -0.490 175.719 176.300 -0.152 0.000 1.137 200 R CA 1.300 57.369 56.100 -0.051 0.000 0.943 200 R CB -0.238 30.001 30.300 -0.102 0.000 0.846 200 R HN 0.647 nan 8.270 nan 0.000 0.431 201 Y N 1.451 121.761 120.300 0.016 0.000 2.404 201 Y HA 0.182 4.730 4.550 -0.003 0.000 0.344 201 Y C -0.366 175.490 175.900 -0.073 0.000 0.995 201 Y CA -0.212 57.862 58.100 -0.043 0.000 1.201 201 Y CB 0.607 39.024 38.460 -0.071 0.000 1.151 201 Y HN 0.335 nan 8.280 nan 0.000 0.517 202 N N -1.356 117.375 118.700 0.052 0.000 2.405 202 N HA 0.228 4.966 4.740 -0.003 0.000 0.274 202 N C -0.097 175.430 175.510 0.029 0.000 1.170 202 N CA -0.817 52.241 53.050 0.014 0.000 0.848 202 N CB 1.528 40.024 38.487 0.015 0.000 1.629 202 N HN 0.331 nan 8.380 nan 0.000 0.481 203 T N -2.171 112.419 114.554 0.061 0.000 3.160 203 T HA 0.101 4.449 4.350 -0.003 0.000 0.257 203 T C 0.069 174.863 174.700 0.157 0.000 1.147 203 T CA 0.431 62.606 62.100 0.124 0.000 1.064 203 T CB -0.684 68.348 68.868 0.273 0.000 0.949 203 T HN 0.457 nan 8.240 nan 0.000 0.526 204 N N 0.354 119.079 118.700 0.042 0.000 2.592 204 N HA 0.769 5.507 4.740 -0.003 0.000 0.292 204 N C 0.306 175.816 175.510 -0.001 0.000 1.260 204 N CA -0.507 52.460 53.050 -0.139 0.000 0.910 204 N CB 1.393 39.651 38.487 -0.381 0.000 1.257 204 N HN 0.331 nan 8.380 nan 0.000 0.569 205 G N -1.624 107.148 108.800 -0.047 0.000 3.247 205 G HA2 0.439 4.397 3.960 -0.003 0.000 0.226 205 G HA3 0.439 4.397 3.960 -0.003 0.000 0.226 205 G C 0.669 175.610 174.900 0.068 0.000 1.220 205 G CA -0.196 44.967 45.100 0.105 0.000 0.875 205 G HN 0.486 nan 8.290 nan 0.000 0.606 206 G N -0.216 108.664 108.800 0.134 0.000 2.470 206 G HA2 -0.024 3.934 3.960 -0.003 0.000 0.220 206 G HA3 -0.024 3.934 3.960 -0.003 0.000 0.220 206 G C 1.627 176.633 174.900 0.178 0.000 1.121 206 G CA 1.681 46.884 45.100 0.172 0.000 0.766 206 G HN 0.786 nan 8.290 nan 0.000 0.553 207 I N -1.607 119.050 120.570 0.145 0.000 3.035 207 I HA 0.223 4.391 4.170 -0.003 0.000 0.271 207 I C 0.730 176.877 176.117 0.050 0.000 1.190 207 I CA 0.188 61.561 61.300 0.123 0.000 1.472 207 I CB 0.289 38.369 38.000 0.133 0.000 1.116 207 I HN -0.161 nan 8.210 nan 0.000 0.443 208 V N 2.729 122.622 119.914 -0.034 0.000 2.008 208 V HA 0.165 4.283 4.120 -0.003 0.000 0.262 208 V C 0.826 176.878 176.094 -0.071 0.000 1.580 208 V CA 0.483 62.719 62.300 -0.108 0.000 1.515 208 V CB -1.258 30.399 31.823 -0.276 0.000 1.474 208 V HN 0.454 nan 8.190 nan 0.000 0.504 209 T N 0.646 115.194 114.554 -0.010 0.000 3.069 209 T HA 0.203 4.551 4.350 -0.003 0.000 0.252 209 T C 1.550 176.244 174.700 -0.011 0.000 1.053 209 T CA 0.443 62.547 62.100 0.006 0.000 0.964 209 T CB 0.315 69.222 68.868 0.065 0.000 1.005 209 T HN 0.862 nan 8.240 nan 0.000 0.532 210 G N 2.805 111.582 108.800 -0.038 0.000 2.393 210 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.299 210 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.299 210 G C 0.548 175.437 174.900 -0.017 0.000 0.990 210 G CA 0.368 45.437 45.100 -0.052 0.000 1.118 210 G HN 0.375 nan 8.290 nan 0.000 0.513 211 D N 0.087 120.474 120.400 -0.021 0.000 2.144 211 D HA -0.105 4.533 4.640 -0.003 0.000 0.199 211 D C 2.491 178.802 176.300 0.019 0.000 0.984 211 D CA 1.629 55.608 54.000 -0.034 0.000 0.834 211 D CB -0.432 40.311 40.800 -0.095 0.000 0.955 211 D HN 0.559 nan 8.370 nan 0.000 0.465 212 G N 0.870 109.637 108.800 -0.054 0.000 2.418 212 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.217 212 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.217 212 G C 1.718 176.633 174.900 0.025 0.000 1.158 212 G CA 0.473 45.559 45.100 -0.023 0.000 0.771 212 G HN 0.197 nan 8.290 nan 0.000 0.545 213 M N 0.711 120.310 119.600 -0.001 0.000 2.089 213 M HA -0.101 4.377 4.480 -0.003 0.000 0.257 213 M C 2.621 178.922 176.300 0.002 0.000 1.071 213 M CA 1.631 56.919 55.300 -0.020 0.000 1.096 213 M CB -0.630 31.943 32.600 -0.044 0.000 1.330 213 M HN 0.304 nan 8.290 nan 0.000 0.403 214 G N 0.097 108.943 108.800 0.076 0.000 3.026 214 G HA2 0.070 4.028 3.960 -0.003 0.000 0.208 214 G HA3 0.070 4.028 3.960 -0.003 0.000 0.208 214 G C 1.260 176.066 174.900 -0.157 0.000 1.169 214 G CA 0.154 45.261 45.100 0.011 0.000 0.788 214 G HN 0.633 nan 8.290 nan 0.000 0.533 215 M N -2.215 117.390 119.600 0.009 0.000 2.304 215 M HA 0.540 5.018 4.480 -0.003 0.000 0.281 215 M C 2.145 178.444 176.300 -0.001 0.000 1.014 215 M CA 0.517 55.786 55.300 -0.052 0.000 1.054 215 M CB 0.614 33.309 32.600 0.159 0.000 1.551 215 M HN -0.011 nan 8.290 nan 0.000 0.548 216 A N 1.576 124.393 122.820 -0.005 0.000 1.930 216 A HA 0.033 4.351 4.320 -0.003 0.000 0.217 216 A C 1.978 179.584 177.584 0.037 0.000 1.175 216 A CA 1.348 53.377 52.037 -0.014 0.000 0.627 216 A CB -0.493 18.475 19.000 -0.052 0.000 0.815 216 A HN 0.446 nan 8.150 nan 0.000 0.443 217 L N -0.370 120.854 121.223 0.003 0.000 2.270 217 L HA 0.020 4.358 4.340 -0.003 0.000 0.210 217 L C 2.475 179.368 176.870 0.039 0.000 1.104 217 L CA 1.532 56.387 54.840 0.025 0.000 0.804 217 L CB -0.352 41.688 42.059 -0.032 0.000 0.937 217 L HN 0.243 nan 8.230 nan 0.000 0.450 218 S N -1.628 114.073 115.700 0.003 0.000 2.493 218 S HA -0.245 4.223 4.470 -0.003 0.000 0.243 218 S C 1.785 176.413 174.600 0.047 0.000 0.991 218 S CA 1.373 59.572 58.200 -0.003 0.000 0.957 218 S CB -0.505 62.667 63.200 -0.047 0.000 0.756 218 S HN 0.644 nan 8.310 nan 0.000 0.521 219 H N -0.406 118.654 119.070 -0.015 0.000 2.604 219 H HA 0.372 4.925 4.556 -0.004 0.000 0.273 219 H C 1.287 176.623 175.328 0.014 0.000 0.971 219 H CA 0.994 57.040 56.048 -0.004 0.000 1.249 219 H CB 0.233 29.990 29.762 -0.008 0.000 1.449 219 H HN 0.314 nan 8.280 nan 0.000 0.512 220 G N 0.475 109.388 108.800 0.189 0.000 2.143 220 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.175 220 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.175 220 G C -0.471 174.637 174.900 0.348 0.000 1.004 220 G CA 0.123 45.343 45.100 0.200 0.000 0.671 220 G HN 0.338 nan 8.290 nan 0.000 0.512 221 V N 0.728 120.821 119.914 0.299 0.000 2.481 221 V HA 0.679 4.797 4.120 -0.003 0.000 0.286 221 V C -1.686 174.394 176.094 -0.024 0.000 1.042 221 V CA -2.081 60.308 62.300 0.149 0.000 0.928 221 V CB 1.693 33.528 31.823 0.020 0.000 0.986 221 V HN 0.194 nan 8.190 nan 0.000 0.462 222 P HA 0.421 nan 4.420 nan 0.000 0.288 222 P C -0.991 176.126 177.300 -0.306 0.000 1.267 222 P CA -0.471 62.313 63.100 -0.528 0.000 0.815 222 P CB 1.202 32.340 31.700 -0.937 0.000 0.989 223 L N 3.927 124.980 121.223 -0.283 0.000 2.259 223 L HA 0.392 4.730 4.340 -0.003 0.000 0.288 223 L C 1.347 178.101 176.870 -0.193 0.000 1.051 223 L CA -0.593 54.132 54.840 -0.191 0.000 0.824 223 L CB 0.194 42.164 42.059 -0.148 0.000 1.206 223 L HN 0.341 nan 8.230 nan 0.000 0.429 224 R N 0.716 121.123 120.500 -0.155 0.000 2.500 224 R HA 0.415 4.753 4.340 -0.003 0.000 0.275 224 R C -0.670 175.619 176.300 -0.018 0.000 1.051 224 R CA -0.753 55.281 56.100 -0.111 0.000 1.088 224 R CB 0.600 30.839 30.300 -0.102 0.000 1.063 224 R HN 0.461 nan 8.270 nan 0.000 0.511 225 D N 1.114 121.536 120.400 0.037 0.000 2.699 225 D HA -0.133 4.505 4.640 -0.003 0.000 0.239 225 D C 0.327 176.678 176.300 0.085 0.000 1.136 225 D CA 0.813 54.896 54.000 0.137 0.000 0.668 225 D CB -0.471 40.539 40.800 0.350 0.000 1.060 225 D HN 0.563 nan 8.370 nan 0.000 0.429 226 M N -0.294 119.296 119.600 -0.017 0.000 2.492 226 M HA -0.060 4.418 4.480 -0.003 0.000 0.262 226 M C 2.199 178.493 176.300 -0.009 0.000 1.090 226 M CA 1.098 56.387 55.300 -0.018 0.000 1.110 226 M CB -0.411 32.154 32.600 -0.058 0.000 1.407 226 M HN 0.352 nan 8.290 nan 0.000 0.470 227 E N 0.062 120.201 120.200 -0.102 0.000 2.204 227 E HA -0.155 4.193 4.350 -0.003 0.000 0.195 227 E C -0.093 176.469 176.600 -0.063 0.000 0.990 227 E CA 0.667 56.972 56.400 -0.158 0.000 0.821 227 E CB -0.654 28.781 29.700 -0.441 0.000 0.750 227 E HN 0.268 nan 8.360 nan 0.000 0.477 228 F N 1.872 121.868 119.950 0.077 0.000 2.468 228 F HA 0.178 4.703 4.527 -0.003 0.000 0.356 228 F C 0.044 175.928 175.800 0.139 0.000 1.167 228 F CA -0.391 57.680 58.000 0.118 0.000 1.135 228 F CB 0.779 39.838 39.000 0.098 0.000 1.197 228 F HN -0.286 nan 8.300 nan 0.000 0.569 229 V N 4.122 124.266 119.914 0.384 0.000 2.409 229 V HA 0.268 4.386 4.120 -0.003 0.000 0.291 229 V C -0.060 176.236 176.094 0.337 0.000 1.020 229 V CA -0.998 61.503 62.300 0.334 0.000 0.848 229 V CB 1.540 33.596 31.823 0.388 0.000 0.990 229 V HN 0.519 nan 8.190 nan 0.000 0.430 230 Q N 3.062 123.047 119.800 0.307 0.000 2.332 230 Q HA 0.335 4.673 4.340 -0.003 0.000 0.263 230 Q C -1.490 174.687 176.000 0.295 0.000 0.979 230 Q CA 0.355 56.342 55.803 0.305 0.000 0.885 230 Q CB 0.700 29.642 28.738 0.341 0.000 1.218 230 Q HN 0.622 nan 8.270 nan 0.000 0.405 231 Y N 1.358 121.713 120.300 0.092 0.000 2.528 231 Y HA 0.350 4.899 4.550 -0.003 0.000 0.335 231 Y C -0.347 175.564 175.900 0.017 0.000 1.093 231 Y CA -0.632 57.489 58.100 0.035 0.000 1.134 231 Y CB 1.561 39.975 38.460 -0.076 0.000 1.253 231 Y HN 0.599 nan 8.280 nan 0.000 0.478 232 H N 4.838 123.908 119.070 -0.001 0.000 2.459 232 H HA 0.215 4.769 4.556 -0.003 0.000 0.332 232 H C -1.860 173.437 175.328 -0.052 0.000 1.094 232 H CA -2.260 53.715 56.048 -0.123 0.000 1.224 232 H CB 2.391 31.956 29.762 -0.328 0.000 1.449 232 H HN 0.409 nan 8.280 nan 0.000 0.484 233 P HA -0.137 nan 4.420 nan 0.000 0.213 233 P C 0.426 177.722 177.300 -0.006 0.000 1.170 233 P CA 1.378 64.417 63.100 -0.102 0.000 0.902 233 P CB -0.083 31.525 31.700 -0.153 0.000 0.789 234 T N -2.129 112.493 114.554 0.113 0.000 2.744 234 T HA 0.682 5.030 4.350 -0.003 0.000 0.291 234 T C 0.180 174.947 174.700 0.112 0.000 0.957 234 T CA -0.633 61.533 62.100 0.111 0.000 1.002 234 T CB 1.397 70.331 68.868 0.110 0.000 0.919 234 T HN 0.218 nan 8.240 nan 0.000 0.468 235 G N 2.807 111.607 108.800 0.001 0.000 2.759 235 G HA2 0.532 4.490 3.960 -0.003 0.000 0.297 235 G HA3 0.532 4.490 3.960 -0.003 0.000 0.297 235 G C -0.966 173.904 174.900 -0.051 0.000 1.434 235 G CA -1.113 43.968 45.100 -0.032 0.000 0.980 235 G HN 0.878 nan 8.290 nan 0.000 0.531 236 L N 2.899 124.097 121.223 -0.043 0.000 2.453 236 L HA 0.259 4.598 4.340 -0.003 0.000 0.272 236 L C -1.554 175.303 176.870 -0.022 0.000 1.182 236 L CA -1.404 53.413 54.840 -0.038 0.000 0.858 236 L CB 1.107 43.147 42.059 -0.033 0.000 1.120 236 L HN 0.296 nan 8.230 nan 0.000 0.474 237 P HA 0.040 nan 4.420 nan 0.000 0.271 237 P C 0.739 178.090 177.300 0.085 0.000 1.216 237 P CA 0.533 63.642 63.100 0.015 0.000 0.776 237 P CB 1.217 32.916 31.700 -0.002 0.000 0.881 238 G N 2.459 111.398 108.800 0.232 0.000 2.304 238 G HA2 -0.335 3.623 3.960 -0.003 0.000 0.252 238 G HA3 -0.335 3.623 3.960 -0.003 0.000 0.252 238 G C 0.967 175.886 174.900 0.030 0.000 1.014 238 G CA 0.763 45.966 45.100 0.170 0.000 0.619 238 G HN 0.716 nan 8.290 nan 0.000 0.525 239 S N -0.860 114.848 115.700 0.013 0.000 2.613 239 S HA 0.445 4.913 4.470 -0.003 0.000 0.235 239 S C 2.218 176.803 174.600 -0.025 0.000 1.073 239 S CA 1.483 59.635 58.200 -0.080 0.000 0.899 239 S CB 0.369 63.450 63.200 -0.198 0.000 0.818 239 S HN 2.322 nan 8.310 nan 0.000 0.484 240 G N 1.888 110.718 108.800 0.050 0.000 2.225 240 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.267 240 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.267 240 G C -0.017 174.881 174.900 -0.004 0.000 1.024 240 G CA 0.505 45.638 45.100 0.054 0.000 0.784 240 G HN 0.645 nan 8.290 nan 0.000 0.507 241 I N 0.011 120.553 120.570 -0.048 0.000 2.588 241 I HA 0.231 4.399 4.170 -0.003 0.000 0.283 241 I C 1.118 177.204 176.117 -0.052 0.000 1.119 241 I CA -0.833 60.432 61.300 -0.059 0.000 1.419 241 I CB 0.965 38.886 38.000 -0.132 0.000 1.394 241 I HN 0.227 nan 8.210 nan 0.000 0.562 242 L N 7.593 128.789 121.223 -0.045 0.000 2.513 242 L HA 0.120 4.458 4.340 -0.003 0.000 0.272 242 L C -0.230 176.584 176.870 -0.093 0.000 1.187 242 L CA 0.598 55.362 54.840 -0.126 0.000 0.895 242 L CB 0.302 42.288 42.059 -0.123 0.000 1.147 242 L HN 0.552 nan 8.230 nan 0.000 0.483 243 M N 5.261 124.803 119.600 -0.097 0.000 2.047 243 M HA 0.246 4.724 4.480 -0.003 0.000 0.342 243 M C 0.178 176.484 176.300 0.009 0.000 1.058 243 M CA 0.074 55.359 55.300 -0.025 0.000 0.991 243 M CB 1.149 33.750 32.600 0.002 0.000 1.474 243 M HN 0.810 nan 8.290 nan 0.000 0.419 244 T N 1.907 116.491 114.554 0.050 0.000 2.939 244 T HA -0.078 4.270 4.350 -0.003 0.000 0.312 244 T C 1.278 176.086 174.700 0.181 0.000 1.064 244 T CA 0.607 62.792 62.100 0.141 0.000 1.136 244 T CB 0.398 69.394 68.868 0.214 0.000 1.035 244 T HN 0.856 nan 8.240 nan 0.000 0.538 245 E N 2.755 123.113 120.200 0.263 0.000 2.118 245 E HA -0.150 4.198 4.350 -0.003 0.000 0.195 245 E C 2.141 178.662 176.600 -0.132 0.000 0.992 245 E CA 1.362 57.797 56.400 0.058 0.000 0.804 245 E CB -0.768 28.907 29.700 -0.041 0.000 0.741 245 E HN 0.969 nan 8.360 nan 0.000 0.458 246 G N 1.129 109.881 108.800 -0.080 0.000 2.507 246 G HA2 -0.360 3.598 3.960 -0.003 0.000 0.221 246 G HA3 -0.360 3.598 3.960 -0.003 0.000 0.221 246 G C 1.858 176.741 174.900 -0.029 0.000 1.119 246 G CA 1.241 46.293 45.100 -0.080 0.000 0.751 246 G HN 0.565 nan 8.290 nan 0.000 0.574 247 C N -1.030 118.283 119.300 0.021 0.000 2.481 247 C HA 0.396 4.854 4.460 -0.003 0.000 0.275 247 C C 2.528 177.517 174.990 -0.002 0.000 1.419 247 C CA 0.068 59.097 59.018 0.019 0.000 1.773 247 C CB -0.677 27.084 27.740 0.034 0.000 1.862 247 C HN 0.387 nan 8.230 nan 0.000 0.530 248 R N 0.803 121.289 120.500 -0.023 0.000 2.173 248 R HA 0.139 4.477 4.340 -0.003 0.000 0.208 248 R C 2.550 178.813 176.300 -0.061 0.000 1.035 248 R CA 0.997 57.078 56.100 -0.032 0.000 1.004 248 R CB -0.455 29.823 30.300 -0.035 0.000 0.917 248 R HN 0.642 nan 8.270 nan 0.000 0.462 249 G N 0.904 109.636 108.800 -0.113 0.000 2.432 249 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.219 249 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.219 249 G C 0.555 175.409 174.900 -0.077 0.000 1.135 249 G CA 0.387 45.406 45.100 -0.136 0.000 0.767 249 G HN 0.142 nan 8.290 nan 0.000 0.550 250 E N 1.047 121.219 120.200 -0.046 0.000 1.998 250 E HA 0.322 4.670 4.350 -0.003 0.000 0.257 250 E C 0.977 177.582 176.600 0.008 0.000 1.038 250 E CA -0.036 56.356 56.400 -0.012 0.000 0.869 250 E CB 0.282 29.985 29.700 0.005 0.000 1.135 250 E HN 0.275 nan 8.360 nan 0.000 0.430 251 G N 3.203 112.011 108.800 0.014 0.000 2.416 251 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.301 251 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.301 251 G C 0.623 175.569 174.900 0.077 0.000 0.985 251 G CA 0.432 45.560 45.100 0.048 0.000 0.934 251 G HN 0.527 nan 8.290 nan 0.000 0.513 252 G N -0.488 108.337 108.800 0.041 0.000 2.395 252 G HA2 0.729 4.687 3.960 -0.003 0.000 0.283 252 G HA3 0.729 4.687 3.960 -0.003 0.000 0.283 252 G C 0.056 174.990 174.900 0.057 0.000 1.178 252 G CA -0.376 44.754 45.100 0.049 0.000 0.837 252 G HN 1.353 nan 8.290 nan 0.000 0.518 253 I N -0.627 120.001 120.570 0.096 0.000 2.545 253 I HA 0.632 4.800 4.170 -0.003 0.000 0.292 253 I C -0.959 175.188 176.117 0.051 0.000 1.040 253 I CA -1.220 60.115 61.300 0.059 0.000 1.068 253 I CB 2.288 40.338 38.000 0.084 0.000 1.251 253 I HN 0.194 nan 8.210 nan 0.000 0.424 254 L N 6.967 128.167 121.223 -0.038 0.000 2.265 254 L HA 0.684 5.022 4.340 -0.003 0.000 0.289 254 L C -0.134 176.690 176.870 -0.077 0.000 1.033 254 L CA -0.743 54.094 54.840 -0.006 0.000 0.814 254 L CB 1.615 43.653 42.059 -0.035 0.000 1.203 254 L HN 0.650 nan 8.230 nan 0.000 0.423 255 V N 0.167 120.206 119.914 0.207 0.000 3.046 255 V HA 0.681 4.799 4.120 -0.003 0.000 0.316 255 V C -0.483 175.881 176.094 0.451 0.000 1.104 255 V CA -0.964 61.495 62.300 0.266 0.000 1.006 255 V CB 1.889 33.817 31.823 0.176 0.000 1.058 255 V HN 0.788 nan 8.190 nan 0.000 0.440 256 N N 0.862 119.799 118.700 0.395 0.000 2.566 256 N HA 0.345 5.083 4.740 -0.003 0.000 0.299 256 N C 0.766 176.357 175.510 0.135 0.000 1.277 256 N CA -0.427 52.778 53.050 0.258 0.000 0.965 256 N CB 0.356 38.986 38.487 0.238 0.000 1.142 256 N HN 0.852 nan 8.380 nan 0.000 0.596 257 K N -1.279 119.162 120.400 0.069 0.000 2.281 257 K HA -0.072 4.246 4.320 -0.003 0.000 0.203 257 K C -0.006 176.593 176.600 -0.002 0.000 1.046 257 K CA 1.246 57.526 56.287 -0.012 0.000 0.938 257 K CB -0.383 32.110 32.500 -0.012 0.000 0.737 257 K HN 0.379 nan 8.250 nan 0.000 0.458 258 N N 0.672 119.410 118.700 0.063 0.000 2.270 258 N HA 0.064 4.802 4.740 -0.003 0.000 0.198 258 N C 0.451 176.021 175.510 0.099 0.000 1.117 258 N CA 0.798 53.887 53.050 0.064 0.000 0.845 258 N CB 0.987 39.513 38.487 0.066 0.000 0.980 258 N HN 0.519 nan 8.380 nan 0.000 0.486 259 G N 1.120 109.985 108.800 0.108 0.000 2.198 259 G HA2 -0.322 3.636 3.960 -0.003 0.000 0.260 259 G HA3 -0.322 3.636 3.960 -0.003 0.000 0.260 259 G C -0.405 174.607 174.900 0.186 0.000 1.025 259 G CA 0.336 45.507 45.100 0.118 0.000 0.769 259 G HN 0.505 nan 8.290 nan 0.000 0.507 260 Y N 0.712 121.064 120.300 0.087 0.000 2.342 260 Y HA 0.655 5.203 4.550 -0.003 0.000 0.334 260 Y C 0.645 176.613 175.900 0.113 0.000 1.067 260 Y CA -2.079 56.072 58.100 0.084 0.000 1.128 260 Y CB 0.908 39.418 38.460 0.083 0.000 1.200 260 Y HN 0.143 nan 8.280 nan 0.000 0.464 261 R N 6.639 126.942 120.500 -0.328 0.000 2.429 261 R HA 0.047 4.385 4.340 -0.003 0.000 0.302 261 R C -0.127 175.739 176.300 -0.723 0.000 1.268 261 R CA -0.080 55.757 56.100 -0.439 0.000 1.090 261 R CB -0.283 29.868 30.300 -0.249 0.000 1.102 261 R HN 0.878 nan 8.270 nan 0.000 0.522 262 Y N 0.204 120.230 120.300 -0.455 0.000 2.509 262 Y HA -0.011 4.537 4.550 -0.003 0.000 0.293 262 Y C 1.248 177.115 175.900 -0.055 0.000 1.133 262 Y CA 0.307 58.187 58.100 -0.366 0.000 1.283 262 Y CB -0.273 38.185 38.460 -0.005 0.000 1.001 262 Y HN 0.350 nan 8.280 nan 0.000 0.555 263 L N 1.313 122.421 121.223 -0.191 0.000 2.362 263 L HA -0.184 4.154 4.340 -0.003 0.000 0.219 263 L C 2.566 179.489 176.870 0.088 0.000 1.134 263 L CA 1.454 56.344 54.840 0.083 0.000 0.807 263 L CB -0.527 41.477 42.059 -0.091 0.000 0.927 263 L HN 0.474 nan 8.230 nan 0.000 0.447 264 Q N -1.350 118.433 119.800 -0.029 0.000 2.378 264 Q HA -0.135 4.203 4.340 -0.003 0.000 0.205 264 Q C 0.830 176.806 176.000 -0.041 0.000 0.954 264 Q CA 0.982 56.779 55.803 -0.010 0.000 0.901 264 Q CB -0.164 28.566 28.738 -0.014 0.000 0.981 264 Q HN 0.325 nan 8.270 nan 0.000 0.483 265 D N 0.350 120.664 120.400 -0.144 0.000 2.348 265 D HA -0.077 4.561 4.640 -0.003 0.000 0.216 265 D C -0.151 175.817 176.300 -0.554 0.000 0.970 265 D CA 0.859 54.633 54.000 -0.376 0.000 0.889 265 D CB 0.079 40.538 40.800 -0.569 0.000 0.912 265 D HN 0.461 nan 8.370 nan 0.000 0.524 266 Y N -1.159 119.185 120.300 0.075 0.000 2.736 266 Y HA 0.409 4.958 4.550 -0.003 0.000 0.293 266 Y C 1.679 177.597 175.900 0.031 0.000 1.062 266 Y CA -0.386 57.749 58.100 0.058 0.000 1.247 266 Y CB 0.890 39.419 38.460 0.114 0.000 1.200 266 Y HN -0.037 nan 8.280 nan 0.000 0.552 267 G N 0.294 109.144 108.800 0.085 0.000 2.304 267 G HA2 -0.402 3.556 3.960 -0.003 0.000 0.252 267 G HA3 -0.402 3.556 3.960 -0.003 0.000 0.252 267 G C 1.002 175.918 174.900 0.028 0.000 1.014 267 G CA 0.740 45.869 45.100 0.048 0.000 0.619 267 G HN 0.434 nan 8.290 nan 0.000 0.525 268 M N 1.769 121.396 119.600 0.046 0.000 2.686 268 M HA 0.252 4.730 4.480 -0.003 0.000 0.246 268 M C 1.824 178.157 176.300 0.055 0.000 1.096 268 M CA 0.705 56.003 55.300 -0.004 0.000 1.076 268 M CB -0.003 32.608 32.600 0.019 0.000 1.504 268 M HN 0.398 nan 8.290 nan 0.000 0.524 269 G N 1.289 110.138 108.800 0.082 0.000 2.653 269 G HA2 0.335 4.293 3.960 -0.003 0.000 0.265 269 G HA3 0.335 4.293 3.960 -0.003 0.000 0.265 269 G C -2.324 172.708 174.900 0.220 0.000 1.237 269 G CA -1.002 44.175 45.100 0.127 0.000 0.946 269 G HN 0.107 nan 8.290 nan 0.000 0.522 270 P HA 0.108 nan 4.420 nan 0.000 0.271 270 P C -0.299 177.047 177.300 0.076 0.000 1.244 270 P CA -0.288 62.868 63.100 0.093 0.000 0.793 270 P CB 0.724 32.448 31.700 0.040 0.000 0.984 271 E N 0.489 120.707 120.200 0.031 0.000 2.299 271 E HA 0.129 4.478 4.350 -0.003 0.000 0.272 271 E C -0.173 176.418 176.600 -0.015 0.000 1.043 271 E CA -0.490 55.916 56.400 0.009 0.000 0.895 271 E CB 0.221 29.921 29.700 -0.000 0.000 1.011 271 E HN 0.409 nan 8.360 nan 0.000 0.432 272 T N 3.642 118.186 114.554 -0.016 0.000 2.901 272 T HA 0.279 4.627 4.350 -0.003 0.000 0.301 272 T C -2.001 172.677 174.700 -0.036 0.000 1.012 272 T CA -1.568 60.510 62.100 -0.038 0.000 1.135 272 T CB 0.919 69.771 68.868 -0.027 0.000 0.936 272 T HN 0.333 nan 8.240 nan 0.000 0.539 273 P HA 0.143 nan 4.420 nan 0.000 0.274 273 P C 1.023 178.301 177.300 -0.036 0.000 1.264 273 P CA -0.569 62.509 63.100 -0.038 0.000 0.795 273 P CB 0.723 32.401 31.700 -0.036 0.000 1.064 274 L N -0.298 120.899 121.223 -0.042 0.000 2.093 274 L HA -0.074 4.264 4.340 -0.003 0.000 0.208 274 L C 2.708 179.574 176.870 -0.007 0.000 1.085 274 L CA 2.119 56.934 54.840 -0.041 0.000 0.755 274 L CB -1.247 40.767 42.059 -0.074 0.000 0.904 274 L HN 0.529 nan 8.230 nan 0.000 0.435 275 G N -0.085 108.709 108.800 -0.010 0.000 2.403 275 G HA2 -0.130 3.828 3.960 -0.003 0.000 0.216 275 G HA3 -0.130 3.828 3.960 -0.003 0.000 0.216 275 G C 0.553 175.450 174.900 -0.005 0.000 1.154 275 G CA 0.260 45.360 45.100 -0.001 0.000 0.784 275 G HN 0.523 nan 8.290 nan 0.000 0.538 276 E N 0.773 120.963 120.200 -0.017 0.000 2.675 276 E HA 0.352 4.700 4.350 -0.003 0.000 0.236 276 E C -3.115 173.468 176.600 -0.029 0.000 1.059 276 E CA -2.110 54.276 56.400 -0.024 0.000 0.775 276 E CB 2.033 31.714 29.700 -0.032 0.000 1.356 276 E HN 0.043 nan 8.360 nan 0.000 0.403 277 P HA 0.164 nan 4.420 nan 0.000 0.281 277 P C -0.700 176.589 177.300 -0.019 0.000 1.252 277 P CA -0.336 62.754 63.100 -0.018 0.000 0.778 277 P CB 0.983 32.675 31.700 -0.013 0.000 0.895 278 K N 2.796 123.194 120.400 -0.005 0.000 2.208 278 K HA 0.262 4.580 4.320 -0.003 0.000 0.247 278 K C -0.064 176.571 176.600 0.059 0.000 0.953 278 K CA -0.803 55.489 56.287 0.008 0.000 0.837 278 K CB 1.278 33.764 32.500 -0.023 0.000 1.131 278 K HN 0.443 nan 8.250 nan 0.000 0.431 279 N N 2.251 120.977 118.700 0.044 0.000 2.479 279 N HA -0.052 4.686 4.740 -0.003 0.000 0.257 279 N C -0.500 175.084 175.510 0.124 0.000 1.232 279 N CA 0.858 53.934 53.050 0.043 0.000 0.920 279 N CB 0.389 38.877 38.487 0.002 0.000 1.105 279 N HN 0.687 nan 8.380 nan 0.000 0.444 280 K N 0.174 120.603 120.400 0.047 0.000 3.553 280 K HA -0.238 4.080 4.320 -0.003 0.000 0.303 280 K C -1.220 175.255 176.600 -0.209 0.000 1.327 280 K CA 1.128 57.386 56.287 -0.048 0.000 0.983 280 K CB -1.245 31.239 32.500 -0.026 0.000 1.275 280 K HN 0.558 nan 8.250 nan 0.000 0.453 281 Y N -0.164 120.124 120.300 -0.020 0.000 2.477 281 Y HA 0.374 4.922 4.550 -0.003 0.000 0.347 281 Y C 1.109 176.992 175.900 -0.029 0.000 0.981 281 Y CA -1.187 56.903 58.100 -0.018 0.000 1.033 281 Y CB 1.384 39.833 38.460 -0.017 0.000 1.245 281 Y HN -0.138 nan 8.280 nan 0.000 0.455 282 M N -0.224 119.442 119.600 0.110 0.000 7.319 282 M HA -0.414 4.064 4.480 -0.003 0.000 0.305 282 M C 1.504 177.798 176.300 -0.010 0.000 0.480 282 M CA 1.746 57.066 55.300 0.035 0.000 1.311 282 M CB -1.357 31.258 32.600 0.025 0.000 0.421 282 M HN 0.857 nan 8.290 nan 0.000 0.673 283 E N 0.598 120.777 120.200 -0.034 0.000 2.110 283 E HA 0.033 4.382 4.350 -0.003 0.000 0.193 283 E C 0.711 177.287 176.600 -0.041 0.000 0.988 283 E CA 1.005 57.376 56.400 -0.049 0.000 0.804 283 E CB -0.107 29.564 29.700 -0.048 0.000 0.745 283 E HN 0.444 nan 8.360 nan 0.000 0.458 284 L N 0.841 122.047 121.223 -0.029 0.000 2.389 284 L HA 0.400 4.738 4.340 -0.003 0.000 0.265 284 L C 0.399 177.254 176.870 -0.025 0.000 1.167 284 L CA -0.699 54.116 54.840 -0.041 0.000 1.045 284 L CB 0.453 42.486 42.059 -0.042 0.000 1.351 284 L HN 0.020 nan 8.230 nan 0.000 0.419 285 G N 1.821 110.596 108.800 -0.042 0.000 2.680 285 G HA2 0.582 4.540 3.960 -0.003 0.000 0.290 285 G HA3 0.582 4.540 3.960 -0.003 0.000 0.290 285 G C -2.907 171.960 174.900 -0.056 0.000 1.355 285 G CA -1.469 43.601 45.100 -0.051 0.000 0.903 285 G HN 0.088 nan 8.290 nan 0.000 0.474 286 P HA -0.084 nan 4.420 nan 0.000 0.260 286 P C 1.131 178.399 177.300 -0.054 0.000 1.147 286 P CA 0.165 63.234 63.100 -0.051 0.000 0.758 286 P CB 0.603 32.278 31.700 -0.042 0.000 0.744 287 R N 3.855 124.317 120.500 -0.064 0.000 2.112 287 R HA -0.273 4.065 4.340 -0.003 0.000 0.242 287 R C 0.927 177.176 176.300 -0.084 0.000 1.137 287 R CA 2.767 58.815 56.100 -0.086 0.000 0.944 287 R CB -0.491 29.760 30.300 -0.081 0.000 0.857 287 R HN 0.475 nan 8.270 nan 0.000 0.435 288 D N 0.167 120.525 120.400 -0.070 0.000 2.087 288 D HA -0.167 4.471 4.640 -0.003 0.000 0.192 288 D C 1.848 178.089 176.300 -0.099 0.000 0.993 288 D CA 1.599 55.543 54.000 -0.093 0.000 0.828 288 D CB -0.197 40.556 40.800 -0.078 0.000 0.968 288 D HN 0.266 nan 8.370 nan 0.000 0.448 289 K N 0.340 120.707 120.400 -0.055 0.000 2.097 289 K HA -0.211 4.107 4.320 -0.003 0.000 0.214 289 K C 2.168 178.758 176.600 -0.016 0.000 1.052 289 K CA 1.418 57.693 56.287 -0.019 0.000 0.932 289 K CB -0.489 32.016 32.500 0.007 0.000 0.716 289 K HN 0.089 nan 8.250 nan 0.000 0.455 290 V N 0.860 120.764 119.914 -0.016 0.000 2.427 290 V HA -0.200 3.918 4.120 -0.003 0.000 0.248 290 V C 2.165 178.272 176.094 0.021 0.000 1.051 290 V CA 1.866 64.179 62.300 0.021 0.000 1.048 290 V CB -0.268 31.550 31.823 -0.008 0.000 0.666 290 V HN 0.269 nan 8.190 nan 0.000 0.456 291 S N -0.229 115.438 115.700 -0.054 0.000 2.383 291 S HA -0.238 4.230 4.470 -0.003 0.000 0.227 291 S C 1.954 176.494 174.600 -0.101 0.000 1.026 291 S CA 1.384 59.535 58.200 -0.082 0.000 0.981 291 S CB -0.305 62.810 63.200 -0.140 0.000 0.818 291 S HN 0.683 nan 8.310 nan 0.000 0.472 292 Q N 0.887 120.581 119.800 -0.177 0.000 2.230 292 Q HA 0.103 4.441 4.340 -0.003 0.000 0.202 292 Q C 2.414 178.292 176.000 -0.203 0.000 0.963 292 Q CA 1.011 56.650 55.803 -0.272 0.000 0.866 292 Q CB -0.368 28.221 28.738 -0.249 0.000 0.931 292 Q HN 0.596 nan 8.270 nan 0.000 0.452 293 A N 0.640 123.396 122.820 -0.107 0.000 2.076 293 A HA -0.191 4.127 4.320 -0.003 0.000 0.220 293 A C 1.756 179.261 177.584 -0.131 0.000 1.160 293 A CA 0.918 52.836 52.037 -0.198 0.000 0.653 293 A CB -0.615 18.463 19.000 0.131 0.000 0.801 293 A HN 0.455 nan 8.150 nan 0.000 0.455 294 F N -0.599 119.271 119.950 -0.134 0.000 2.074 294 F HA -0.128 4.398 4.527 -0.003 0.000 0.293 294 F C 2.136 177.931 175.800 -0.007 0.000 1.116 294 F CA 1.869 59.804 58.000 -0.108 0.000 1.212 294 F CB -0.443 38.521 39.000 -0.060 0.000 0.998 294 F HN 0.504 nan 8.300 nan 0.000 0.471 295 W N 1.880 123.121 121.300 -0.099 0.000 2.302 295 W HA -0.297 4.361 4.660 -0.003 0.000 0.320 295 W C 2.482 178.941 176.519 -0.100 0.000 1.241 295 W CA 2.647 59.937 57.345 -0.092 0.000 1.264 295 W CB -1.307 28.105 29.460 -0.079 0.000 1.154 295 W HN 0.276 nan 8.180 nan 0.000 0.483 296 H N 0.210 119.553 119.070 0.454 0.000 2.421 296 H HA -0.104 4.450 4.556 -0.003 0.000 0.298 296 H C 2.060 177.477 175.328 0.148 0.000 1.087 296 H CA 1.721 57.965 56.048 0.326 0.000 1.330 296 H CB -0.609 29.262 29.762 0.182 0.000 1.388 296 H HN 0.236 nan 8.280 nan 0.000 0.526 297 E N 0.030 120.270 120.200 0.067 0.000 2.152 297 E HA -0.142 4.206 4.350 -0.003 0.000 0.192 297 E C 2.108 178.604 176.600 -0.173 0.000 0.983 297 E CA 0.256 56.597 56.400 -0.099 0.000 0.818 297 E CB -0.347 29.129 29.700 -0.374 0.000 0.758 297 E HN 0.521 nan 8.360 nan 0.000 0.467 298 W N 1.971 122.976 121.300 -0.492 0.000 2.402 298 W HA -0.099 4.560 4.660 -0.003 0.000 0.286 298 W C 1.988 178.322 176.519 -0.308 0.000 1.221 298 W CA 1.038 58.076 57.345 -0.511 0.000 1.257 298 W CB 0.157 29.179 29.460 -0.730 0.000 1.120 298 W HN -0.132 nan 8.180 nan 0.000 0.551 299 R N 0.369 120.726 120.500 -0.238 0.000 2.153 299 R HA -0.001 4.337 4.340 -0.003 0.000 0.218 299 R C 1.917 178.094 176.300 -0.205 0.000 1.072 299 R CA 0.986 56.905 56.100 -0.302 0.000 0.990 299 R CB -0.460 29.851 30.300 0.017 0.000 0.889 299 R HN 0.267 nan 8.270 nan 0.000 0.452 300 K N -0.633 119.710 120.400 -0.094 0.000 2.288 300 K HA -0.030 4.288 4.320 -0.003 0.000 0.201 300 K C 0.890 177.411 176.600 -0.131 0.000 1.048 300 K CA 0.917 57.165 56.287 -0.065 0.000 0.956 300 K CB 0.143 32.653 32.500 0.017 0.000 0.746 300 K HN 0.371 nan 8.250 nan 0.000 0.461 301 G N 1.310 109.980 108.800 -0.217 0.000 2.132 301 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.234 301 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.234 301 G C 0.242 175.067 174.900 -0.126 0.000 0.989 301 G CA 0.164 45.131 45.100 -0.222 0.000 0.676 301 G HN 0.213 nan 8.290 nan 0.000 0.522 302 N N 0.815 119.457 118.700 -0.097 0.000 2.398 302 N HA 0.123 4.861 4.740 -0.003 0.000 0.188 302 N C 1.266 176.758 175.510 -0.029 0.000 1.122 302 N CA 1.057 54.084 53.050 -0.038 0.000 0.866 302 N CB 0.224 38.715 38.487 0.006 0.000 0.970 302 N HN 0.813 nan 8.380 nan 0.000 0.462 303 T N -1.176 113.347 114.554 -0.053 0.000 2.897 303 T HA 0.425 4.773 4.350 -0.003 0.000 0.294 303 T C 0.409 175.161 174.700 0.087 0.000 1.004 303 T CA -0.675 61.438 62.100 0.022 0.000 1.106 303 T CB 1.024 69.922 68.868 0.050 0.000 0.949 303 T HN -0.146 nan 8.240 nan 0.000 0.520 304 I N 3.015 123.688 120.570 0.172 0.000 2.471 304 I HA 0.281 4.449 4.170 -0.003 0.000 0.286 304 I C 0.912 177.161 176.117 0.220 0.000 1.079 304 I CA 0.301 61.716 61.300 0.191 0.000 1.398 304 I CB 1.090 39.274 38.000 0.306 0.000 1.403 304 I HN 0.762 nan 8.210 nan 0.000 0.530 305 S N 4.430 120.222 115.700 0.155 0.000 2.554 305 S HA 0.775 5.243 4.470 -0.003 0.000 0.278 305 S C -0.111 174.574 174.600 0.142 0.000 1.242 305 S CA -0.405 57.880 58.200 0.142 0.000 1.051 305 S CB 0.389 63.648 63.200 0.098 0.000 0.986 305 S HN 0.774 nan 8.310 nan 0.000 0.502 306 T N 2.103 116.734 114.554 0.128 0.000 2.896 306 T HA 0.556 4.905 4.350 -0.003 0.000 0.297 306 T C -2.368 172.384 174.700 0.086 0.000 1.108 306 T CA -1.625 60.540 62.100 0.108 0.000 1.004 306 T CB 0.978 69.908 68.868 0.104 0.000 1.159 306 T HN 0.290 nan 8.240 nan 0.000 0.499 307 P HA -0.104 nan 4.420 nan 0.000 0.220 307 P C 1.492 178.831 177.300 0.065 0.000 1.144 307 P CA 0.721 63.858 63.100 0.061 0.000 0.800 307 P CB 0.121 31.852 31.700 0.052 0.000 0.772 308 R N 0.289 120.831 120.500 0.071 0.000 2.056 308 R HA 0.200 4.538 4.340 -0.003 0.000 0.227 308 R C 0.804 177.157 176.300 0.089 0.000 1.149 308 R CA 1.931 58.078 56.100 0.080 0.000 0.937 308 R CB -0.748 29.599 30.300 0.077 0.000 0.835 308 R HN 0.197 nan 8.270 nan 0.000 0.430 309 G N -0.525 108.326 108.800 0.085 0.000 2.384 309 G HA2 0.177 4.135 3.960 -0.003 0.000 0.300 309 G HA3 0.177 4.135 3.960 -0.003 0.000 0.300 309 G C -1.871 173.094 174.900 0.110 0.000 1.582 309 G CA -0.575 44.575 45.100 0.084 0.000 0.875 309 G HN 0.232 nan 8.290 nan 0.000 0.628 310 D N -0.376 120.121 120.400 0.163 0.000 2.533 310 D HA 0.345 4.984 4.640 -0.003 0.000 0.236 310 D C 0.737 177.212 176.300 0.291 0.000 1.137 310 D CA 1.216 55.361 54.000 0.242 0.000 0.867 310 D CB 1.259 42.282 40.800 0.372 0.000 1.170 310 D HN 0.914 nan 8.370 nan 0.000 0.474 311 V N -0.589 119.512 119.914 0.311 0.000 2.932 311 V HA 0.606 4.724 4.120 -0.003 0.000 0.307 311 V C 0.026 176.373 176.094 0.422 0.000 1.147 311 V CA -1.297 61.220 62.300 0.361 0.000 0.951 311 V CB 1.283 33.196 31.823 0.150 0.000 1.031 311 V HN 0.397 nan 8.190 nan 0.000 0.426 312 V N 0.881 121.089 119.914 0.490 0.000 3.083 312 V HA 0.629 4.747 4.120 -0.003 0.000 0.306 312 V C -0.636 175.723 176.094 0.441 0.000 1.077 312 V CA -0.424 62.150 62.300 0.455 0.000 1.073 312 V CB 0.841 32.938 31.823 0.457 0.000 1.081 312 V HN 0.806 nan 8.190 nan 0.000 0.474 313 Y N 2.181 122.605 120.300 0.206 0.000 2.341 313 Y HA 0.668 5.216 4.550 -0.003 0.000 0.337 313 Y C -0.097 175.891 175.900 0.147 0.000 1.014 313 Y CA -1.094 57.099 58.100 0.154 0.000 1.111 313 Y CB 1.731 40.269 38.460 0.131 0.000 1.194 313 Y HN 0.731 nan 8.280 nan 0.000 0.462 314 L N 4.756 126.082 121.223 0.172 0.000 2.262 314 L HA 0.450 4.788 4.340 -0.003 0.000 0.288 314 L C -0.922 176.013 176.870 0.107 0.000 1.035 314 L CA -0.279 54.636 54.840 0.126 0.000 0.820 314 L CB 0.449 42.550 42.059 0.070 0.000 1.204 314 L HN 0.499 nan 8.230 nan 0.000 0.424 315 D N 3.843 124.321 120.400 0.129 0.000 2.198 315 D HA 0.365 5.003 4.640 -0.003 0.000 0.245 315 D C 0.375 176.638 176.300 -0.062 0.000 1.079 315 D CA -0.049 53.998 54.000 0.079 0.000 0.854 315 D CB 1.344 42.261 40.800 0.195 0.000 1.148 315 D HN 0.642 nan 8.370 nan 0.000 0.456 316 L N 3.486 124.595 121.223 -0.190 0.000 2.878 316 L HA 0.164 4.502 4.340 -0.003 0.000 0.253 316 L C 2.254 178.892 176.870 -0.387 0.000 1.135 316 L CA -0.276 54.418 54.840 -0.244 0.000 0.943 316 L CB 0.153 42.157 42.059 -0.092 0.000 1.307 316 L HN 0.362 nan 8.230 nan 0.000 0.545 317 R N 0.593 120.840 120.500 -0.422 0.000 2.139 317 R HA -0.193 4.145 4.340 -0.003 0.000 0.243 317 R C 1.324 177.510 176.300 -0.190 0.000 1.145 317 R CA 1.803 57.761 56.100 -0.237 0.000 0.976 317 R CB -0.988 29.250 30.300 -0.103 0.000 0.866 317 R HN 0.562 nan 8.270 nan 0.000 0.449 318 H N 0.072 119.166 119.070 0.039 0.000 2.547 318 H HA 0.276 4.830 4.556 -0.003 0.000 0.274 318 H C 0.567 175.913 175.328 0.029 0.000 1.024 318 H CA -0.174 55.893 56.048 0.031 0.000 1.155 318 H CB -0.224 29.554 29.762 0.027 0.000 1.344 318 H HN 0.147 nan 8.280 nan 0.000 0.598 319 L N 1.178 122.414 121.223 0.021 0.000 2.421 319 L HA 0.321 4.659 4.340 -0.003 0.000 0.263 319 L C 0.964 177.863 176.870 0.048 0.000 1.122 319 L CA -0.747 54.120 54.840 0.045 0.000 0.804 319 L CB 1.060 43.130 42.059 0.018 0.000 1.150 319 L HN 0.249 nan 8.230 nan 0.000 0.457 320 G N 0.744 109.575 108.800 0.051 0.000 2.225 320 G HA2 -0.071 3.887 3.960 -0.003 0.000 0.245 320 G HA3 -0.071 3.887 3.960 -0.003 0.000 0.245 320 G C 0.595 175.529 174.900 0.058 0.000 1.249 320 G CA -0.132 44.997 45.100 0.049 0.000 0.919 320 G HN 0.819 nan 8.290 nan 0.000 0.486 321 E N 1.634 121.864 120.200 0.050 0.000 2.268 321 E HA -0.076 4.272 4.350 -0.003 0.000 0.195 321 E C 2.279 178.916 176.600 0.061 0.000 0.995 321 E CA 0.954 57.386 56.400 0.054 0.000 0.836 321 E CB 0.187 29.893 29.700 0.010 0.000 0.763 321 E HN 0.498 nan 8.360 nan 0.000 0.491 322 K N 0.258 120.688 120.400 0.050 0.000 2.057 322 K HA -0.071 4.247 4.320 -0.003 0.000 0.206 322 K C 1.826 178.474 176.600 0.081 0.000 1.050 322 K CA 1.117 57.435 56.287 0.052 0.000 0.935 322 K CB -0.113 32.410 32.500 0.038 0.000 0.715 322 K HN 0.140 nan 8.250 nan 0.000 0.439 323 K N 0.590 121.039 120.400 0.081 0.000 2.305 323 K HA 0.013 4.331 4.320 -0.003 0.000 0.199 323 K C 1.934 178.595 176.600 0.101 0.000 1.047 323 K CA -0.015 56.323 56.287 0.086 0.000 0.976 323 K CB -0.044 32.497 32.500 0.069 0.000 0.765 323 K HN -0.076 nan 8.250 nan 0.000 0.474 324 L N 1.156 122.457 121.223 0.130 0.000 1.961 324 L HA -0.157 4.181 4.340 -0.003 0.000 0.210 324 L C 1.130 178.072 176.870 0.119 0.000 1.072 324 L CA 2.107 57.033 54.840 0.143 0.000 0.749 324 L CB -0.677 41.528 42.059 0.244 0.000 0.889 324 L HN 0.206 nan 8.230 nan 0.000 0.432 325 H N -1.086 118.007 119.070 0.038 0.000 2.567 325 H HA 0.213 4.767 4.556 -0.003 0.000 0.294 325 H C 1.404 176.760 175.328 0.046 0.000 1.050 325 H CA 0.580 56.653 56.048 0.042 0.000 1.168 325 H CB 0.148 29.929 29.762 0.032 0.000 1.422 325 H HN 0.561 nan 8.280 nan 0.000 0.562 326 E N -0.140 120.144 120.200 0.140 0.000 2.441 326 E HA 0.126 4.474 4.350 -0.003 0.000 0.207 326 E C 1.405 178.066 176.600 0.102 0.000 0.803 326 E CA 0.101 56.564 56.400 0.106 0.000 1.240 326 E CB 0.620 30.378 29.700 0.095 0.000 1.233 326 E HN 0.208 nan 8.360 nan 0.000 0.590 327 R N -0.255 120.306 120.500 0.103 0.000 2.394 327 R HA 0.352 4.690 4.340 -0.003 0.000 0.220 327 R C 0.274 176.637 176.300 0.104 0.000 0.887 327 R CA 0.042 56.214 56.100 0.119 0.000 1.034 327 R CB 0.973 31.346 30.300 0.121 0.000 1.179 327 R HN 0.042 nan 8.270 nan 0.000 0.561 328 L N 1.922 123.184 121.223 0.065 0.000 2.594 328 L HA 0.317 4.655 4.340 -0.003 0.000 0.245 328 L C -2.078 174.774 176.870 -0.029 0.000 1.460 328 L CA -1.231 53.632 54.840 0.038 0.000 0.865 328 L CB 1.674 43.743 42.059 0.016 0.000 1.131 328 L HN -0.110 nan 8.230 nan 0.000 0.506 329 P HA -0.092 nan 4.420 nan 0.000 0.218 329 P C 1.540 178.872 177.300 0.054 0.000 1.151 329 P CA 0.780 63.865 63.100 -0.025 0.000 0.850 329 P CB 0.327 32.053 31.700 0.045 0.000 0.801 330 F N 0.397 120.317 119.950 -0.051 0.000 2.259 330 F HA -0.098 4.427 4.527 -0.003 0.000 0.298 330 F C 1.943 177.728 175.800 -0.025 0.000 1.088 330 F CA 0.556 58.535 58.000 -0.035 0.000 1.358 330 F CB -0.223 38.767 39.000 -0.016 0.000 1.040 330 F HN -0.307 nan 8.300 nan 0.000 0.505 331 I N -0.268 120.289 120.570 -0.022 0.000 2.286 331 I HA -0.311 3.857 4.170 -0.003 0.000 0.248 331 I C 2.432 178.473 176.117 -0.127 0.000 1.115 331 I CA 0.908 62.148 61.300 -0.100 0.000 1.392 331 I CB -1.061 36.924 38.000 -0.025 0.000 1.065 331 I HN 0.209 nan 8.210 nan 0.000 0.418 332 C N -0.021 119.203 119.300 -0.126 0.000 2.429 332 C HA -0.156 4.302 4.460 -0.003 0.000 0.277 332 C C 2.767 177.684 174.990 -0.121 0.000 1.262 332 C CA 0.760 59.696 59.018 -0.137 0.000 1.733 332 C CB -0.993 26.602 27.740 -0.241 0.000 2.010 332 C HN 0.543 nan 8.230 nan 0.000 0.483 333 E N 0.668 120.790 120.200 -0.130 0.000 2.038 333 E HA -0.199 4.149 4.350 -0.003 0.000 0.195 333 E C 2.058 178.531 176.600 -0.211 0.000 1.000 333 E CA 1.162 57.481 56.400 -0.136 0.000 0.803 333 E CB -0.147 29.506 29.700 -0.079 0.000 0.750 333 E HN 0.588 nan 8.360 nan 0.000 0.448 334 L N 0.408 121.465 121.223 -0.277 0.000 1.970 334 L HA -0.229 4.109 4.340 -0.003 0.000 0.212 334 L C 2.687 179.518 176.870 -0.064 0.000 1.071 334 L CA 1.463 56.202 54.840 -0.168 0.000 0.751 334 L CB -0.542 41.388 42.059 -0.215 0.000 0.889 334 L HN 0.208 nan 8.230 nan 0.000 0.432 335 A N -0.388 122.389 122.820 -0.071 0.000 1.917 335 A HA -0.247 4.071 4.320 -0.003 0.000 0.219 335 A C 2.329 179.875 177.584 -0.062 0.000 1.182 335 A CA 1.864 53.878 52.037 -0.039 0.000 0.633 335 A CB -0.467 18.505 19.000 -0.046 0.000 0.819 335 A HN 0.321 nan 8.150 nan 0.000 0.448 336 K N -0.620 119.721 120.400 -0.098 0.000 2.211 336 K HA -0.029 4.289 4.320 -0.003 0.000 0.203 336 K C 2.252 178.750 176.600 -0.169 0.000 1.050 336 K CA 0.923 57.149 56.287 -0.102 0.000 0.945 336 K CB -0.244 32.206 32.500 -0.084 0.000 0.732 336 K HN 0.491 nan 8.250 nan 0.000 0.451 337 A N 0.368 123.000 122.820 -0.313 0.000 1.854 337 A HA -0.116 4.202 4.320 -0.003 0.000 0.214 337 A C 1.650 178.924 177.584 -0.516 0.000 1.192 337 A CA 1.140 52.834 52.037 -0.572 0.000 0.611 337 A CB -0.497 17.849 19.000 -1.090 0.000 0.832 337 A HN 0.296 nan 8.150 nan 0.000 0.442 338 Y N -1.076 119.197 120.300 -0.046 0.000 2.507 338 Y HA 0.175 4.723 4.550 -0.003 0.000 0.263 338 Y C 1.875 177.759 175.900 -0.027 0.000 1.093 338 Y CA 0.623 58.702 58.100 -0.034 0.000 1.285 338 Y CB 0.461 38.897 38.460 -0.040 0.000 1.115 338 Y HN 0.199 nan 8.280 nan 0.000 0.533 339 V N -4.331 115.632 119.914 0.082 0.000 3.556 339 V HA 0.566 4.684 4.120 -0.003 0.000 0.287 339 V C 1.240 177.339 176.094 0.009 0.000 1.422 339 V CA 0.105 62.428 62.300 0.039 0.000 1.038 339 V CB 0.143 31.977 31.823 0.018 0.000 0.850 339 V HN 0.298 nan 8.190 nan 0.000 0.437 340 G N 0.902 109.692 108.800 -0.016 0.000 2.298 340 G HA2 -0.149 3.809 3.960 -0.003 0.000 0.287 340 G HA3 -0.149 3.809 3.960 -0.003 0.000 0.287 340 G C -0.248 174.647 174.900 -0.009 0.000 1.075 340 G CA 0.359 45.446 45.100 -0.023 0.000 0.960 340 G HN 1.035 nan 8.290 nan 0.000 0.502 341 V N 0.794 120.700 119.914 -0.015 0.000 2.482 341 V HA 0.340 4.458 4.120 -0.003 0.000 0.295 341 V C -0.046 176.044 176.094 -0.007 0.000 1.026 341 V CA -1.228 61.071 62.300 -0.002 0.000 0.856 341 V CB 1.867 33.687 31.823 -0.005 0.000 1.001 341 V HN 0.446 nan 8.190 nan 0.000 0.424 342 D N 7.410 127.814 120.400 0.006 0.000 2.348 342 D HA 0.192 4.830 4.640 -0.003 0.000 0.253 342 D C -1.343 174.965 176.300 0.013 0.000 1.161 342 D CA -1.452 52.555 54.000 0.011 0.000 0.876 342 D CB 2.468 43.283 40.800 0.025 0.000 1.160 342 D HN 0.256 nan 8.370 nan 0.000 0.459 343 P HA -0.115 nan 4.420 nan 0.000 0.222 343 P C 1.293 178.596 177.300 0.005 0.000 1.147 343 P CA 0.609 63.708 63.100 -0.003 0.000 0.790 343 P CB 0.448 32.138 31.700 -0.017 0.000 0.780 344 V N -0.221 119.713 119.914 0.034 0.000 2.825 344 V HA 0.023 4.141 4.120 -0.003 0.000 0.246 344 V C 2.625 178.735 176.094 0.026 0.000 1.068 344 V CA 1.374 63.694 62.300 0.033 0.000 1.088 344 V CB -0.910 30.947 31.823 0.056 0.000 0.733 344 V HN 0.081 nan 8.190 nan 0.000 0.468 345 K N -0.337 120.082 120.400 0.032 0.000 2.242 345 K HA 0.140 4.458 4.320 -0.003 0.000 0.200 345 K C 0.704 177.333 176.600 0.047 0.000 1.050 345 K CA 0.644 56.953 56.287 0.037 0.000 0.981 345 K CB 0.518 33.038 32.500 0.034 0.000 0.795 345 K HN 0.487 nan 8.250 nan 0.000 0.477 346 E N 0.015 120.245 120.200 0.050 0.000 2.429 346 E HA 0.301 4.649 4.350 -0.003 0.000 0.276 346 E C -2.816 173.836 176.600 0.088 0.000 0.953 346 E CA -2.469 53.979 56.400 0.081 0.000 0.787 346 E CB 2.541 32.296 29.700 0.092 0.000 1.307 346 E HN -0.034 nan 8.360 nan 0.000 0.458 347 P HA 0.303 nan 4.420 nan 0.000 0.281 347 P C -0.606 176.745 177.300 0.085 0.000 1.249 347 P CA -0.228 62.984 63.100 0.187 0.000 0.810 347 P CB 0.681 32.607 31.700 0.376 0.000 1.008 348 I N 2.423 122.977 120.570 -0.028 0.000 2.331 348 I HA 0.297 4.465 4.170 -0.003 0.000 0.292 348 I C -2.232 173.670 176.117 -0.360 0.000 0.998 348 I CA -2.958 58.249 61.300 -0.154 0.000 1.267 348 I CB 0.661 38.616 38.000 -0.076 0.000 1.386 348 I HN 0.053 nan 8.210 nan 0.000 0.476 349 P HA 0.076 nan 4.420 nan 0.000 0.262 349 P C -0.734 176.438 177.300 -0.212 0.000 1.182 349 P CA 0.175 62.947 63.100 -0.546 0.000 0.761 349 P CB 0.657 32.140 31.700 -0.361 0.000 0.795 350 V N 4.825 124.673 119.914 -0.110 0.000 2.851 350 V HA 0.573 4.691 4.120 -0.003 0.000 0.307 350 V C -0.214 175.848 176.094 -0.054 0.000 1.129 350 V CA -0.582 61.690 62.300 -0.046 0.000 0.932 350 V CB 2.394 34.220 31.823 0.005 0.000 1.024 350 V HN 0.595 nan 8.190 nan 0.000 0.426 351 R N 4.500 124.890 120.500 -0.184 0.000 2.740 351 R HA 0.712 5.050 4.340 -0.003 0.000 0.273 351 R C -3.184 172.868 176.300 -0.414 0.000 0.998 351 R CA -1.926 53.880 56.100 -0.490 0.000 0.900 351 R CB 2.450 32.417 30.300 -0.555 0.000 1.223 351 R HN 0.396 nan 8.270 nan 0.000 0.466 352 P HA 0.064 nan 4.420 nan 0.000 0.271 352 P C -0.739 176.506 177.300 -0.091 0.000 1.218 352 P CA 0.062 63.036 63.100 -0.209 0.000 0.780 352 P CB 1.479 33.061 31.700 -0.195 0.000 0.901 353 T N 0.008 114.547 114.554 -0.024 0.000 2.816 353 T HA 0.603 4.951 4.350 -0.003 0.000 0.299 353 T C -1.306 173.002 174.700 -0.653 0.000 1.230 353 T CA -0.692 61.269 62.100 -0.233 0.000 1.007 353 T CB 0.947 69.760 68.868 -0.092 0.000 1.289 353 T HN 0.358 nan 8.240 nan 0.000 0.508 354 A N 1.770 124.131 122.820 -0.766 0.000 2.409 354 A HA 0.511 4.829 4.320 -0.003 0.000 0.267 354 A C 0.226 177.711 177.584 -0.166 0.000 1.127 354 A CA 0.224 51.810 52.037 -0.752 0.000 0.795 354 A CB -0.141 18.507 19.000 -0.587 0.000 1.061 354 A HN 1.036 nan 8.150 nan 0.000 0.502 355 H N 1.491 120.466 119.070 -0.159 0.000 2.274 355 H HA 0.351 4.905 4.556 -0.003 0.000 0.271 355 H C -0.850 174.567 175.328 0.149 0.000 0.945 355 H CA 0.918 56.990 56.048 0.040 0.000 1.200 355 H CB 0.241 30.084 29.762 0.134 0.000 1.456 355 H HN 0.656 nan 8.280 nan 0.000 0.536 356 Y N 0.104 120.389 120.300 -0.026 0.000 2.545 356 Y HA 0.475 5.023 4.550 -0.003 0.000 0.348 356 Y C -0.986 174.916 175.900 0.003 0.000 1.002 356 Y CA -0.864 57.187 58.100 -0.081 0.000 1.039 356 Y CB 2.196 40.642 38.460 -0.024 0.000 1.271 356 Y HN -0.001 nan 8.280 nan 0.000 0.467 357 T N 6.506 120.791 114.554 -0.447 0.000 2.842 357 T HA 0.254 4.602 4.350 -0.003 0.000 0.308 357 T C 0.692 175.227 174.700 -0.275 0.000 1.041 357 T CA -0.415 61.544 62.100 -0.235 0.000 0.964 357 T CB 0.582 69.317 68.868 -0.222 0.000 0.972 357 T HN 0.744 nan 8.240 nan 0.000 0.460 358 M N 1.590 121.175 119.600 -0.024 0.000 2.388 358 M HA 0.188 4.666 4.480 -0.003 0.000 0.265 358 M C 1.624 177.723 176.300 -0.335 0.000 1.088 358 M CA 0.309 55.494 55.300 -0.191 0.000 1.134 358 M CB 0.180 32.764 32.600 -0.026 0.000 1.384 358 M HN 0.601 nan 8.290 nan 0.000 0.447 359 G N 0.438 109.181 108.800 -0.095 0.000 2.364 359 G HA2 0.485 4.443 3.960 -0.003 0.000 0.267 359 G HA3 0.485 4.443 3.960 -0.003 0.000 0.267 359 G C -0.202 174.630 174.900 -0.113 0.000 1.233 359 G CA -0.165 44.899 45.100 -0.060 0.000 0.885 359 G HN 0.386 nan 8.290 nan 0.000 0.490 360 G N 0.769 109.508 108.800 -0.101 0.000 2.827 360 G HA2 0.529 4.487 3.960 -0.003 0.000 0.296 360 G HA3 0.529 4.487 3.960 -0.003 0.000 0.296 360 G C -0.443 174.404 174.900 -0.087 0.000 1.362 360 G CA -1.140 43.904 45.100 -0.094 0.000 0.809 360 G HN 0.749 nan 8.290 nan 0.000 0.522 361 I N 0.935 121.457 120.570 -0.080 0.000 2.618 361 I HA 0.117 4.285 4.170 -0.003 0.000 0.284 361 I C 0.829 176.891 176.117 -0.091 0.000 1.146 361 I CA -0.081 61.164 61.300 -0.092 0.000 1.425 361 I CB 0.849 38.801 38.000 -0.081 0.000 1.383 361 I HN 0.454 nan 8.210 nan 0.000 0.562 362 E N 5.830 125.963 120.200 -0.112 0.000 2.415 362 E HA 0.050 4.398 4.350 -0.003 0.000 0.260 362 E C -0.449 176.094 176.600 -0.096 0.000 1.016 362 E CA -0.101 56.233 56.400 -0.110 0.000 0.924 362 E CB 0.624 30.258 29.700 -0.110 0.000 0.961 362 E HN 0.737 nan 8.360 nan 0.000 0.459 363 T N 1.439 115.935 114.554 -0.095 0.000 2.908 363 T HA 0.300 4.648 4.350 -0.003 0.000 0.290 363 T C -0.151 174.501 174.700 -0.081 0.000 1.034 363 T CA -1.107 60.942 62.100 -0.085 0.000 1.010 363 T CB 1.498 70.331 68.868 -0.059 0.000 1.068 363 T HN 0.436 nan 8.240 nan 0.000 0.481 364 D N 1.424 121.782 120.400 -0.070 0.000 2.380 364 D HA 0.104 4.742 4.640 -0.003 0.000 0.254 364 D C 1.133 177.412 176.300 -0.035 0.000 1.288 364 D CA -0.447 53.523 54.000 -0.050 0.000 1.008 364 D CB 0.170 40.941 40.800 -0.047 0.000 1.099 364 D HN 0.535 nan 8.370 nan 0.000 0.537 365 Q N -1.150 118.637 119.800 -0.022 0.000 2.368 365 Q HA -0.015 4.323 4.340 -0.003 0.000 0.210 365 Q C 0.061 176.057 176.000 -0.007 0.000 0.982 365 Q CA 1.058 56.857 55.803 -0.007 0.000 0.884 365 Q CB -0.234 28.495 28.738 -0.015 0.000 0.933 365 Q HN 0.335 nan 8.270 nan 0.000 0.460 366 N N -1.340 117.358 118.700 -0.003 0.000 2.467 366 N HA 0.156 4.894 4.740 -0.003 0.000 0.278 366 N C -0.606 174.980 175.510 0.127 0.000 1.306 366 N CA -0.069 52.997 53.050 0.027 0.000 0.905 366 N CB 0.542 39.039 38.487 0.016 0.000 1.236 366 N HN 0.122 nan 8.380 nan 0.000 0.509 367 C N -0.051 119.315 119.300 0.110 0.000 4.570 367 C HA -0.224 4.234 4.460 -0.003 0.000 0.280 367 C C 1.028 176.071 174.990 0.088 0.000 1.622 367 C CA 0.573 59.681 59.018 0.149 0.000 1.837 367 C CB -2.002 25.892 27.740 0.257 0.000 1.869 367 C HN 0.615 nan 8.230 nan 0.000 0.686 368 E N 1.381 121.531 120.200 -0.084 0.000 2.316 368 E HA 0.387 4.735 4.350 -0.003 0.000 0.275 368 E C 0.879 177.298 176.600 -0.302 0.000 1.029 368 E CA 0.574 56.671 56.400 -0.505 0.000 0.871 368 E CB 0.883 30.233 29.700 -0.584 0.000 1.022 368 E HN 0.597 nan 8.360 nan 0.000 0.418 369 T N 1.651 116.009 114.554 -0.327 0.000 2.788 369 T HA 0.208 4.556 4.350 -0.003 0.000 0.280 369 T C 1.216 175.813 174.700 -0.171 0.000 0.984 369 T CA -0.511 61.471 62.100 -0.197 0.000 0.972 369 T CB 1.049 69.815 68.868 -0.170 0.000 1.039 369 T HN 0.572 nan 8.240 nan 0.000 0.530 370 R N -0.376 120.071 120.500 -0.088 0.000 2.103 370 R HA -0.062 4.276 4.340 -0.003 0.000 0.242 370 R C 0.372 176.640 176.300 -0.053 0.000 1.142 370 R CA 1.139 57.213 56.100 -0.044 0.000 0.960 370 R CB -0.752 29.563 30.300 0.024 0.000 0.858 370 R HN 0.556 nan 8.270 nan 0.000 0.439 371 I N 2.400 122.939 120.570 -0.052 0.000 2.406 371 I HA -0.016 4.152 4.170 -0.003 0.000 0.293 371 I C 0.306 176.309 176.117 -0.191 0.000 1.101 371 I CA 0.049 61.319 61.300 -0.049 0.000 1.334 371 I CB 0.589 38.631 38.000 0.069 0.000 1.421 371 I HN -0.168 nan 8.210 nan 0.000 0.513 372 K N 4.925 125.219 120.400 -0.178 0.000 2.511 372 K HA 0.291 4.609 4.320 -0.003 0.000 0.280 372 K C 1.188 177.409 176.600 -0.632 0.000 1.008 372 K CA 1.312 57.439 56.287 -0.267 0.000 1.050 372 K CB 0.056 32.545 32.500 -0.018 0.000 0.889 372 K HN 0.801 nan 8.250 nan 0.000 0.484 373 G N 2.495 110.982 108.800 -0.523 0.000 2.195 373 G HA2 -0.260 3.698 3.960 -0.003 0.000 0.246 373 G HA3 -0.260 3.698 3.960 -0.003 0.000 0.246 373 G C -0.569 174.217 174.900 -0.190 0.000 0.984 373 G CA 0.153 45.019 45.100 -0.389 0.000 0.633 373 G HN 0.527 nan 8.290 nan 0.000 0.525 374 L N 1.248 122.264 121.223 -0.345 0.000 2.298 374 L HA 0.855 5.194 4.340 -0.003 0.000 0.284 374 L C -0.395 176.290 176.870 -0.307 0.000 1.013 374 L CA -1.053 53.663 54.840 -0.207 0.000 0.824 374 L CB 0.591 42.500 42.059 -0.250 0.000 1.221 374 L HN 0.025 nan 8.230 nan 0.000 0.418 375 F N 3.261 123.157 119.950 -0.090 0.000 2.572 375 F HA 0.880 5.404 4.527 -0.004 0.000 0.342 375 F C 0.260 176.026 175.800 -0.057 0.000 1.064 375 F CA -0.491 57.473 58.000 -0.060 0.000 1.008 375 F CB 1.844 40.822 39.000 -0.038 0.000 1.303 375 F HN 0.492 nan 8.300 nan 0.000 0.492 376 A N 1.121 124.041 122.820 0.166 0.000 2.456 376 A HA 0.660 4.978 4.320 -0.003 0.000 0.288 376 A C -1.943 175.700 177.584 0.098 0.000 1.042 376 A CA -0.609 51.476 52.037 0.079 0.000 0.738 376 A CB 1.293 20.299 19.000 0.010 0.000 1.266 376 A HN 0.696 nan 8.150 nan 0.000 0.407 377 V N 2.350 122.317 119.914 0.088 0.000 3.078 377 V HA 0.927 5.045 4.120 -0.003 0.000 0.311 377 V C 0.653 176.808 176.094 0.101 0.000 1.138 377 V CA 1.194 63.562 62.300 0.114 0.000 1.007 377 V CB 1.784 33.682 31.823 0.127 0.000 1.045 377 V HN 2.927 nan 8.190 nan 0.000 0.432 378 G N 3.752 112.639 108.800 0.145 0.000 2.542 378 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.235 378 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.235 378 G C 0.543 175.526 174.900 0.138 0.000 1.286 378 G CA 0.819 46.009 45.100 0.149 0.000 0.904 378 G HN 1.158 nan 8.290 nan 0.000 0.577 379 E N -0.527 119.725 120.200 0.088 0.000 2.107 379 E HA -0.107 4.241 4.350 -0.003 0.000 0.191 379 E C 2.757 179.300 176.600 -0.094 0.000 0.982 379 E CA 2.028 58.417 56.400 -0.017 0.000 0.809 379 E CB -0.359 29.218 29.700 -0.206 0.000 0.756 379 E HN 1.016 nan 8.360 nan 0.000 0.459 380 C N 1.147 120.406 119.300 -0.068 0.000 2.413 380 C HA -0.013 4.445 4.460 -0.003 0.000 0.292 380 C C 1.501 176.457 174.990 -0.056 0.000 1.435 380 C CA 0.049 59.021 59.018 -0.076 0.000 1.791 380 C CB -1.637 26.068 27.740 -0.058 0.000 1.784 380 C HN 0.286 nan 8.230 nan 0.000 0.548 381 S N -0.166 115.525 115.700 -0.015 0.000 2.690 381 S HA 0.637 5.105 4.470 -0.003 0.000 0.291 381 S C -0.444 174.184 174.600 0.046 0.000 1.138 381 S CA -0.277 57.928 58.200 0.008 0.000 1.013 381 S CB 1.486 64.708 63.200 0.037 0.000 1.053 381 S HN 0.353 nan 8.310 nan 0.000 0.539 382 S N 1.188 116.912 115.700 0.040 0.000 2.542 382 S HA 0.333 4.801 4.470 -0.003 0.000 0.245 382 S C 0.647 175.241 174.600 -0.009 0.000 1.325 382 S CA -0.775 57.496 58.200 0.118 0.000 1.176 382 S CB 0.685 63.888 63.200 0.004 0.000 1.045 382 S HN 0.581 nan 8.310 nan 0.000 0.481 383 V N 1.476 121.347 119.914 -0.072 0.000 2.788 383 V HA 0.227 4.345 4.120 -0.003 0.000 0.251 383 V C 1.671 177.585 176.094 -0.300 0.000 1.068 383 V CA 0.928 63.060 62.300 -0.280 0.000 1.090 383 V CB -0.722 30.747 31.823 -0.591 0.000 0.710 383 V HN 1.008 nan 8.190 nan 0.000 0.467 384 G N 0.181 108.803 108.800 -0.298 0.000 2.155 384 G HA2 -0.167 3.791 3.960 -0.003 0.000 0.135 384 G HA3 -0.167 3.791 3.960 -0.003 0.000 0.135 384 G C 0.280 175.056 174.900 -0.207 0.000 1.023 384 G CA 0.229 45.202 45.100 -0.212 0.000 0.688 384 G HN 0.387 nan 8.290 nan 0.000 0.499 385 L N -1.056 119.888 121.223 -0.465 0.000 2.577 385 L HA 0.435 4.773 4.340 -0.003 0.000 0.225 385 L C 2.287 178.895 176.870 -0.436 0.000 1.053 385 L CA 1.254 55.793 54.840 -0.502 0.000 0.866 385 L CB -0.278 41.338 42.059 -0.737 0.000 1.132 385 L HN 0.270 nan 8.230 nan 0.000 0.486 386 H N 0.342 119.324 119.070 -0.147 0.000 2.326 386 H HA 0.173 4.727 4.556 -0.003 0.000 0.301 386 H C 1.591 176.822 175.328 -0.162 0.000 1.081 386 H CA 0.911 56.878 56.048 -0.134 0.000 1.334 386 H CB -0.646 29.080 29.762 -0.060 0.000 1.385 386 H HN 0.445 nan 8.280 nan 0.000 0.504 387 G N 0.863 109.681 108.800 0.030 0.000 2.556 387 G HA2 -0.386 3.572 3.960 -0.003 0.000 0.283 387 G HA3 -0.386 3.572 3.960 -0.003 0.000 0.283 387 G C 1.391 176.079 174.900 -0.353 0.000 1.177 387 G CA 1.794 46.854 45.100 -0.067 0.000 0.978 387 G HN 0.687 nan 8.290 nan 0.000 0.554 388 A N -0.331 122.213 122.820 -0.461 0.000 1.843 388 A HA 0.313 4.631 4.320 -0.003 0.000 0.213 388 A C 1.154 178.230 177.584 -0.846 0.000 1.202 388 A CA 1.946 53.405 52.037 -0.963 0.000 0.607 388 A CB -0.151 18.682 19.000 -0.278 0.000 0.847 388 A HN 0.767 nan 8.150 nan 0.000 0.445 389 N N 0.295 118.779 118.700 -0.360 0.000 2.372 389 N HA 0.234 4.972 4.740 -0.003 0.000 0.285 389 N C -0.890 174.537 175.510 -0.139 0.000 1.008 389 N CA -0.462 52.468 53.050 -0.200 0.000 0.880 389 N CB 1.455 39.878 38.487 -0.106 0.000 1.239 389 N HN 0.240 nan 8.380 nan 0.000 0.484 390 R N 2.798 123.243 120.500 -0.091 0.000 2.370 390 R HA 0.167 4.505 4.340 -0.003 0.000 0.309 390 R C -0.496 175.750 176.300 -0.090 0.000 1.059 390 R CA -0.344 55.706 56.100 -0.084 0.000 0.981 390 R CB -0.010 30.219 30.300 -0.118 0.000 0.972 390 R HN 0.414 nan 8.270 nan 0.000 0.437 391 L N 2.596 123.776 121.223 -0.072 0.000 2.483 391 L HA 0.138 4.476 4.340 -0.003 0.000 0.275 391 L C 1.377 178.254 176.870 0.011 0.000 1.220 391 L CA 0.645 55.469 54.840 -0.027 0.000 0.833 391 L CB 0.348 42.398 42.059 -0.014 0.000 1.102 391 L HN 0.707 nan 8.230 nan 0.000 0.490 392 G N 1.094 109.939 108.800 0.074 0.000 2.254 392 G HA2 0.332 4.290 3.960 -0.003 0.000 0.253 392 G HA3 0.332 4.290 3.960 -0.003 0.000 0.253 392 G C 0.684 175.677 174.900 0.156 0.000 1.246 392 G CA 0.415 45.617 45.100 0.170 0.000 0.946 392 G HN 1.258 nan 8.290 nan 0.000 0.474 393 S N 0.476 116.226 115.700 0.082 0.000 2.765 393 S HA -0.260 4.208 4.470 -0.003 0.000 0.266 393 S C 1.119 175.792 174.600 0.122 0.000 1.302 393 S CA 1.154 59.380 58.200 0.044 0.000 1.274 393 S CB -1.894 61.306 63.200 -0.001 0.000 1.559 393 S HN 0.702 nan 8.310 nan 0.000 0.658 394 N N 1.290 120.057 118.700 0.112 0.000 2.424 394 N HA 0.241 4.979 4.740 -0.003 0.000 0.178 394 N C 1.574 177.194 175.510 0.183 0.000 1.060 394 N CA 1.095 54.253 53.050 0.180 0.000 0.901 394 N CB 0.106 38.632 38.487 0.066 0.000 0.979 394 N HN 0.606 nan 8.380 nan 0.000 0.451 395 S N -0.319 115.429 115.700 0.080 0.000 2.371 395 S HA 0.049 4.517 4.470 -0.003 0.000 0.224 395 S C 1.694 176.442 174.600 0.246 0.000 1.029 395 S CA 0.739 59.013 58.200 0.123 0.000 0.978 395 S CB -0.176 62.992 63.200 -0.053 0.000 0.833 395 S HN 0.305 nan 8.310 nan 0.000 0.466 396 L N 1.009 122.360 121.223 0.213 0.000 2.179 396 L HA 0.145 4.483 4.340 -0.003 0.000 0.208 396 L C 2.731 179.726 176.870 0.208 0.000 1.096 396 L CA 0.948 55.916 54.840 0.213 0.000 0.779 396 L CB -0.509 41.665 42.059 0.191 0.000 0.922 396 L HN 0.411 nan 8.230 nan 0.000 0.443 397 A N -0.686 122.270 122.820 0.226 0.000 2.239 397 A HA -0.159 4.159 4.320 -0.003 0.000 0.209 397 A C 2.167 179.906 177.584 0.259 0.000 1.171 397 A CA 0.980 53.103 52.037 0.144 0.000 0.768 397 A CB -0.385 18.689 19.000 0.122 0.000 0.790 397 A HN 0.479 nan 8.150 nan 0.000 0.478 398 E N 0.007 120.498 120.200 0.485 0.000 2.140 398 E HA -0.017 4.331 4.350 -0.003 0.000 0.191 398 E C 1.533 178.372 176.600 0.399 0.000 0.973 398 E CA 0.349 57.126 56.400 0.629 0.000 0.829 398 E CB -0.105 29.890 29.700 0.491 0.000 0.781 398 E HN 0.646 nan 8.360 nan 0.000 0.466 399 L N 1.000 122.391 121.223 0.279 0.000 2.275 399 L HA -0.079 4.259 4.340 -0.003 0.000 0.215 399 L C 2.427 179.399 176.870 0.170 0.000 1.119 399 L CA 0.589 55.557 54.840 0.212 0.000 0.790 399 L CB -0.304 41.864 42.059 0.183 0.000 0.919 399 L HN 0.149 nan 8.230 nan 0.000 0.443 400 V N -5.368 114.628 119.914 0.136 0.000 2.672 400 V HA 0.059 4.177 4.120 -0.003 0.000 0.242 400 V C 2.048 178.154 176.094 0.020 0.000 1.059 400 V CA 0.407 62.755 62.300 0.081 0.000 1.081 400 V CB -0.037 31.806 31.823 0.033 0.000 0.752 400 V HN 0.088 nan 8.190 nan 0.000 0.472 401 V N -0.794 119.102 119.914 -0.030 0.000 2.379 401 V HA 0.114 4.232 4.120 -0.003 0.000 0.243 401 V C 2.019 178.057 176.094 -0.093 0.000 1.035 401 V CA 1.711 63.910 62.300 -0.168 0.000 1.035 401 V CB -0.622 30.934 31.823 -0.445 0.000 0.673 401 V HN 0.488 nan 8.190 nan 0.000 0.457 402 F N 0.854 120.913 119.950 0.182 0.000 2.645 402 F HA 0.402 4.927 4.527 -0.004 0.000 0.300 402 F C 1.727 177.606 175.800 0.131 0.000 1.115 402 F CA 0.519 58.640 58.000 0.202 0.000 1.355 402 F CB 0.103 39.243 39.000 0.233 0.000 1.026 402 F HN 0.145 nan 8.300 nan 0.000 0.536 403 G N -0.828 108.101 108.800 0.214 0.000 2.781 403 G HA2 -0.004 3.954 3.960 -0.003 0.000 0.208 403 G HA3 -0.004 3.954 3.960 -0.003 0.000 0.208 403 G C 1.700 176.648 174.900 0.079 0.000 1.099 403 G CA -0.141 45.044 45.100 0.141 0.000 0.776 403 G HN 0.198 nan 8.290 nan 0.000 0.532 404 R N -0.364 120.176 120.500 0.068 0.000 2.075 404 R HA 0.167 4.505 4.340 -0.003 0.000 0.226 404 R C 2.083 178.395 176.300 0.020 0.000 1.114 404 R CA 0.644 56.766 56.100 0.036 0.000 0.972 404 R CB -0.245 30.073 30.300 0.030 0.000 0.869 404 R HN 0.273 nan 8.270 nan 0.000 0.437 405 L N 0.605 121.852 121.223 0.040 0.000 2.551 405 L HA 0.079 4.417 4.340 -0.003 0.000 0.228 405 L C 1.757 178.640 176.870 0.022 0.000 1.153 405 L CA 1.125 55.973 54.840 0.013 0.000 0.851 405 L CB 0.032 42.060 42.059 -0.051 0.000 0.959 405 L HN 0.212 nan 8.230 nan 0.000 0.451 406 A N -1.620 121.221 122.820 0.034 0.000 2.169 406 A HA 0.290 4.608 4.320 -0.003 0.000 0.212 406 A C 2.072 179.546 177.584 -0.183 0.000 1.153 406 A CA 0.843 52.873 52.037 -0.012 0.000 0.756 406 A CB -0.498 18.534 19.000 0.054 0.000 0.813 406 A HN 0.440 nan 8.150 nan 0.000 0.471 407 G N -0.939 107.780 108.800 -0.136 0.000 2.798 407 G HA2 0.049 4.007 3.960 -0.003 0.000 0.200 407 G HA3 0.049 4.007 3.960 -0.003 0.000 0.200 407 G C 1.242 176.047 174.900 -0.159 0.000 1.092 407 G CA 0.570 45.568 45.100 -0.171 0.000 0.800 407 G HN 0.462 nan 8.290 nan 0.000 0.566 408 E N 0.578 120.723 120.200 -0.093 0.000 2.058 408 E HA -0.165 4.184 4.350 -0.003 0.000 0.194 408 E C 2.491 179.052 176.600 -0.064 0.000 0.997 408 E CA 1.133 57.497 56.400 -0.060 0.000 0.801 408 E CB 0.046 29.733 29.700 -0.022 0.000 0.746 408 E HN 0.318 nan 8.360 nan 0.000 0.450 409 Q N -0.501 119.256 119.800 -0.071 0.000 2.389 409 Q HA 0.047 4.385 4.340 -0.003 0.000 0.204 409 Q C 1.930 177.874 176.000 -0.093 0.000 0.944 409 Q CA 0.822 56.624 55.803 -0.001 0.000 0.908 409 Q CB 0.083 28.903 28.738 0.137 0.000 1.002 409 Q HN 0.210 nan 8.270 nan 0.000 0.493 410 A N 1.536 124.097 122.820 -0.433 0.000 1.929 410 A HA -0.129 4.189 4.320 -0.003 0.000 0.216 410 A C 2.353 179.814 177.584 -0.205 0.000 1.176 410 A CA 1.873 53.520 52.037 -0.649 0.000 0.628 410 A CB -0.791 17.727 19.000 -0.803 0.000 0.816 410 A HN 0.492 nan 8.150 nan 0.000 0.444 411 T N -1.552 112.923 114.554 -0.131 0.000 2.881 411 T HA -0.137 4.211 4.350 -0.003 0.000 0.270 411 T C 1.470 176.168 174.700 -0.002 0.000 1.068 411 T CA 1.538 63.607 62.100 -0.051 0.000 1.131 411 T CB -0.369 68.473 68.868 -0.043 0.000 0.871 411 T HN 0.648 nan 8.240 nan 0.000 0.479 412 E N 0.777 120.987 120.200 0.017 0.000 2.158 412 E HA 0.044 4.392 4.350 -0.003 0.000 0.191 412 E C 2.162 178.820 176.600 0.096 0.000 0.982 412 E CA 0.502 56.934 56.400 0.054 0.000 0.823 412 E CB -0.022 29.715 29.700 0.062 0.000 0.766 412 E HN 0.297 nan 8.360 nan 0.000 0.468 413 R N -0.278 120.312 120.500 0.150 0.000 2.320 413 R HA 0.145 4.483 4.340 -0.003 0.000 0.211 413 R C 1.107 177.526 176.300 0.199 0.000 0.931 413 R CA 0.546 56.785 56.100 0.231 0.000 1.071 413 R CB 0.376 30.936 30.300 0.433 0.000 1.025 413 R HN 0.107 nan 8.270 nan 0.000 0.495 414 A N -0.870 122.019 122.820 0.114 0.000 1.988 414 A HA 0.373 4.691 4.320 -0.003 0.000 0.201 414 A C 1.914 179.531 177.584 0.055 0.000 1.410 414 A CA 0.502 52.592 52.037 0.088 0.000 0.832 414 A CB -0.400 18.633 19.000 0.055 0.000 0.981 414 A HN 0.235 nan 8.150 nan 0.000 0.492 415 A N 0.159 123.003 122.820 0.040 0.000 1.897 415 A HA 0.044 4.362 4.320 -0.003 0.000 0.215 415 A C 1.861 179.460 177.584 0.024 0.000 1.181 415 A CA 2.112 54.165 52.037 0.026 0.000 0.620 415 A CB -0.936 18.076 19.000 0.019 0.000 0.821 415 A HN 0.766 nan 8.150 nan 0.000 0.443 416 T N -3.583 110.990 114.554 0.031 0.000 3.258 416 T HA 0.619 4.967 4.350 -0.003 0.000 0.259 416 T C 0.608 175.322 174.700 0.024 0.000 0.963 416 T CA 0.364 62.478 62.100 0.024 0.000 0.919 416 T CB 0.595 69.479 68.868 0.026 0.000 1.110 416 T HN 0.424 nan 8.240 nan 0.000 0.550 417 A N 0.423 123.255 122.820 0.019 0.000 2.390 417 A HA 0.762 5.080 4.320 -0.003 0.000 0.232 417 A C 1.562 179.098 177.584 -0.080 0.000 1.233 417 A CA 0.128 52.157 52.037 -0.013 0.000 0.907 417 A CB -0.610 18.415 19.000 0.041 0.000 0.967 417 A HN 1.219 nan 8.150 nan 0.000 0.512 418 G N 0.248 109.022 108.800 -0.044 0.000 2.569 418 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.259 418 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.259 418 G C -0.337 174.530 174.900 -0.054 0.000 1.263 418 G CA 0.206 45.277 45.100 -0.049 0.000 0.928 418 G HN 0.681 nan 8.290 nan 0.000 0.572 419 N N -0.457 118.210 118.700 -0.055 0.000 2.531 419 N HA 0.746 5.484 4.740 -0.003 0.000 0.290 419 N C 0.247 175.724 175.510 -0.055 0.000 1.257 419 N CA 0.302 53.326 53.050 -0.043 0.000 0.863 419 N CB 1.812 40.284 38.487 -0.024 0.000 1.320 419 N HN 1.216 nan 8.380 nan 0.000 0.538 420 G N -0.502 108.279 108.800 -0.031 0.000 2.659 420 G HA2 0.384 4.342 3.960 -0.003 0.000 0.296 420 G HA3 0.384 4.342 3.960 -0.003 0.000 0.296 420 G C -1.212 173.685 174.900 -0.005 0.000 1.369 420 G CA -0.640 44.447 45.100 -0.022 0.000 0.937 420 G HN 0.455 nan 8.290 nan 0.000 0.485 421 N N 0.070 118.769 118.700 -0.001 0.000 2.492 421 N HA 0.245 4.983 4.740 -0.003 0.000 0.262 421 N C 0.855 176.369 175.510 0.007 0.000 1.202 421 N CA -0.062 52.989 53.050 0.002 0.000 0.926 421 N CB 2.000 40.488 38.487 0.002 0.000 1.078 421 N HN 0.668 nan 8.380 nan 0.000 0.454 422 E N 1.561 121.764 120.200 0.005 0.000 2.132 422 E HA 0.226 4.574 4.350 -0.003 0.000 0.193 422 E C 1.538 178.142 176.600 0.007 0.000 0.951 422 E CA 0.553 56.958 56.400 0.007 0.000 0.843 422 E CB -0.045 29.658 29.700 0.005 0.000 0.807 422 E HN 0.652 nan 8.360 nan 0.000 0.467 423 A N 0.667 123.490 122.820 0.004 0.000 2.070 423 A HA -0.063 4.255 4.320 -0.003 0.000 0.220 423 A C 2.236 179.823 177.584 0.005 0.000 1.159 423 A CA 1.800 53.839 52.037 0.003 0.000 0.656 423 A CB -0.653 18.347 19.000 0.001 0.000 0.800 423 A HN 0.314 nan 8.150 nan 0.000 0.453 424 A N -0.134 122.689 122.820 0.006 0.000 1.930 424 A HA 0.082 4.400 4.320 -0.003 0.000 0.215 424 A C 1.931 179.521 177.584 0.011 0.000 1.176 424 A CA 1.140 53.181 52.037 0.007 0.000 0.632 424 A CB -0.353 18.652 19.000 0.007 0.000 0.819 424 A HN 0.373 nan 8.150 nan 0.000 0.445 425 I N 0.740 121.319 120.570 0.015 0.000 2.264 425 I HA -0.201 3.967 4.170 -0.003 0.000 0.248 425 I C 2.137 178.263 176.117 0.016 0.000 1.111 425 I CA 1.366 62.678 61.300 0.020 0.000 1.382 425 I CB -1.252 36.762 38.000 0.024 0.000 1.060 425 I HN 0.387 nan 8.210 nan 0.000 0.418 426 E N 0.939 121.146 120.200 0.012 0.000 2.150 426 E HA -0.091 4.257 4.350 -0.003 0.000 0.193 426 E C 2.323 178.927 176.600 0.007 0.000 0.985 426 E CA 1.216 57.622 56.400 0.009 0.000 0.814 426 E CB -0.242 29.462 29.700 0.006 0.000 0.752 426 E HN 0.466 nan 8.360 nan 0.000 0.466 427 A N 1.274 124.098 122.820 0.006 0.000 1.898 427 A HA -0.213 4.105 4.320 -0.003 0.000 0.216 427 A C 2.176 179.763 177.584 0.005 0.000 1.181 427 A CA 1.637 53.677 52.037 0.004 0.000 0.620 427 A CB -0.466 18.535 19.000 0.002 0.000 0.819 427 A HN 0.225 nan 8.150 nan 0.000 0.442 428 Q N -0.945 118.860 119.800 0.008 0.000 2.187 428 Q HA 0.034 4.372 4.340 -0.003 0.000 0.199 428 Q C 2.128 178.135 176.000 0.013 0.000 0.957 428 Q CA 0.956 56.766 55.803 0.010 0.000 0.857 428 Q CB -0.232 28.514 28.738 0.014 0.000 0.929 428 Q HN 0.619 nan 8.270 nan 0.000 0.453 429 A N 0.511 123.339 122.820 0.013 0.000 1.930 429 A HA -0.056 4.262 4.320 -0.003 0.000 0.217 429 A C 2.175 179.764 177.584 0.008 0.000 1.175 429 A CA 1.427 53.471 52.037 0.012 0.000 0.627 429 A CB -0.665 18.343 19.000 0.013 0.000 0.815 429 A HN 0.483 nan 8.150 nan 0.000 0.443 430 A N -0.694 122.130 122.820 0.006 0.000 2.014 430 A HA 0.221 4.539 4.320 -0.003 0.000 0.218 430 A C 2.220 179.806 177.584 0.003 0.000 1.163 430 A CA 1.581 53.620 52.037 0.003 0.000 0.652 430 A CB -0.928 18.073 19.000 0.002 0.000 0.808 430 A HN 0.660 nan 8.150 nan 0.000 0.449 431 G N -0.985 107.818 108.800 0.005 0.000 2.551 431 G HA2 0.087 4.046 3.960 -0.003 0.000 0.216 431 G HA3 0.087 4.046 3.960 -0.003 0.000 0.216 431 G C 1.356 176.261 174.900 0.008 0.000 1.137 431 G CA 0.992 46.095 45.100 0.005 0.000 0.798 431 G HN 0.269 nan 8.290 nan 0.000 0.536 432 V N 0.511 120.432 119.914 0.011 0.000 2.323 432 V HA -0.105 4.013 4.120 -0.003 0.000 0.244 432 V C 2.523 178.623 176.094 0.011 0.000 1.041 432 V CA 2.086 64.395 62.300 0.016 0.000 1.025 432 V CB -0.206 31.629 31.823 0.020 0.000 0.656 432 V HN 0.522 nan 8.190 nan 0.000 0.451 433 E N -0.471 119.732 120.200 0.005 0.000 2.085 433 E HA -0.269 4.079 4.350 -0.003 0.000 0.194 433 E C 2.347 178.945 176.600 -0.003 0.000 0.994 433 E CA 1.286 57.685 56.400 -0.001 0.000 0.801 433 E CB -0.018 29.681 29.700 -0.003 0.000 0.743 433 E HN 0.467 nan 8.360 nan 0.000 0.453 434 Q N 0.441 120.240 119.800 -0.001 0.000 2.020 434 Q HA -0.170 4.168 4.340 -0.003 0.000 0.202 434 Q C 2.240 178.239 176.000 -0.002 0.000 0.982 434 Q CA 1.267 57.068 55.803 -0.003 0.000 0.838 434 Q CB -0.477 28.260 28.738 -0.002 0.000 0.899 434 Q HN 0.263 nan 8.270 nan 0.000 0.423 435 R N 0.143 120.645 120.500 0.003 0.000 2.103 435 R HA -0.139 4.199 4.340 -0.003 0.000 0.242 435 R C 1.784 178.088 176.300 0.006 0.000 1.142 435 R CA 1.054 57.159 56.100 0.007 0.000 0.960 435 R CB -0.017 30.292 30.300 0.015 0.000 0.858 435 R HN 0.198 nan 8.270 nan 0.000 0.439 436 L N 0.505 121.731 121.223 0.004 0.000 2.446 436 L HA 0.026 4.365 4.340 -0.003 0.000 0.219 436 L C 2.103 178.961 176.870 -0.020 0.000 1.116 436 L CA 1.120 55.958 54.840 -0.004 0.000 0.844 436 L CB -0.617 41.442 42.059 0.001 0.000 0.970 436 L HN 0.156 nan 8.230 nan 0.000 0.457 437 K N -0.134 120.256 120.400 -0.017 0.000 2.243 437 K HA -0.089 4.229 4.320 -0.003 0.000 0.201 437 K C 1.412 177.997 176.600 -0.024 0.000 1.051 437 K CA 0.691 56.965 56.287 -0.022 0.000 0.970 437 K CB 0.394 32.884 32.500 -0.016 0.000 0.755 437 K HN 0.188 nan 8.250 nan 0.000 0.465 438 D N 0.812 121.201 120.400 -0.019 0.000 2.149 438 D HA -0.152 4.486 4.640 -0.003 0.000 0.201 438 D C 1.724 178.004 176.300 -0.033 0.000 0.972 438 D CA 0.512 54.499 54.000 -0.021 0.000 0.835 438 D CB -0.011 40.782 40.800 -0.013 0.000 0.966 438 D HN 0.107 nan 8.370 nan 0.000 0.476 439 L N 1.100 122.303 121.223 -0.034 0.000 2.201 439 L HA -0.084 4.254 4.340 -0.003 0.000 0.212 439 L C 2.226 179.052 176.870 -0.074 0.000 1.105 439 L CA 0.870 55.676 54.840 -0.057 0.000 0.775 439 L CB -0.503 41.532 42.059 -0.040 0.000 0.913 439 L HN -0.083 nan 8.230 nan 0.000 0.440 440 V N 0.134 120.013 119.914 -0.058 0.000 2.270 440 V HA -0.247 3.871 4.120 -0.003 0.000 0.245 440 V C 2.067 178.128 176.094 -0.056 0.000 1.043 440 V CA 1.892 64.155 62.300 -0.061 0.000 1.014 440 V CB -0.482 31.312 31.823 -0.049 0.000 0.645 440 V HN 0.453 nan 8.190 nan 0.000 0.447 441 N N -0.360 118.313 118.700 -0.045 0.000 2.461 441 N HA -0.026 4.712 4.740 -0.003 0.000 0.188 441 N C 0.903 176.388 175.510 -0.042 0.000 1.134 441 N CA 0.120 53.148 53.050 -0.038 0.000 0.878 441 N CB -0.159 38.311 38.487 -0.028 0.000 0.972 441 N HN 0.572 nan 8.380 nan 0.000 0.456 442 Q N 0.488 120.255 119.800 -0.055 0.000 2.304 442 Q HA -0.024 4.314 4.340 -0.003 0.000 0.301 442 Q C -0.915 175.050 176.000 -0.059 0.000 1.063 442 Q CA 0.782 56.548 55.803 -0.062 0.000 0.947 442 Q CB 0.428 29.110 28.738 -0.093 0.000 1.201 442 Q HN 0.226 nan 8.270 nan 0.000 0.389 443 D N 0.982 121.354 120.400 -0.046 0.000 2.523 443 D HA 0.773 5.411 4.640 -0.003 0.000 0.236 443 D C -0.696 175.587 176.300 -0.029 0.000 1.094 443 D CA 0.038 54.018 54.000 -0.034 0.000 0.942 443 D CB 2.030 42.816 40.800 -0.023 0.000 1.447 443 D HN 0.737 nan 8.370 nan 0.000 0.479 444 G N -0.710 108.079 108.800 -0.019 0.000 2.324 444 G HA2 0.378 4.336 3.960 -0.003 0.000 0.293 444 G HA3 0.378 4.336 3.960 -0.003 0.000 0.293 444 G C -0.359 174.540 174.900 -0.002 0.000 1.297 444 G CA -0.017 45.077 45.100 -0.010 0.000 0.853 444 G HN 0.491 nan 8.290 nan 0.000 0.535 445 G N -0.812 107.990 108.800 0.004 0.000 3.735 445 G HA2 0.516 4.474 3.960 -0.003 0.000 0.283 445 G HA3 0.516 4.474 3.960 -0.003 0.000 0.283 445 G C 0.017 174.925 174.900 0.014 0.000 1.007 445 G CA 0.062 45.167 45.100 0.009 0.000 0.821 445 G HN 0.485 nan 8.290 nan 0.000 0.505 446 E N 0.880 121.091 120.200 0.018 0.000 2.183 446 E HA 0.235 4.583 4.350 -0.003 0.000 0.271 446 E C -0.890 175.737 176.600 0.045 0.000 0.919 446 E CA -0.857 55.559 56.400 0.025 0.000 0.781 446 E CB 1.661 31.378 29.700 0.028 0.000 1.140 446 E HN 0.012 nan 8.360 nan 0.000 0.402 447 N N 2.655 121.376 118.700 0.035 0.000 2.529 447 N HA 0.014 4.752 4.740 -0.003 0.000 0.278 447 N C 0.704 176.254 175.510 0.067 0.000 1.146 447 N CA -0.275 52.805 53.050 0.049 0.000 0.980 447 N CB 0.609 39.075 38.487 -0.035 0.000 1.124 447 N HN 0.707 nan 8.380 nan 0.000 0.458 448 W N 3.380 124.675 121.300 -0.009 0.000 2.467 448 W HA 0.042 4.700 4.660 -0.003 0.000 0.275 448 W C 0.874 177.404 176.519 0.018 0.000 1.239 448 W CA 0.830 58.183 57.345 0.013 0.000 1.266 448 W CB -1.081 28.385 29.460 0.009 0.000 1.112 448 W HN 0.518 nan 8.180 nan 0.000 0.576 449 A N 1.907 124.169 122.820 -0.930 0.000 1.929 449 A HA -0.115 4.203 4.320 -0.003 0.000 0.216 449 A C 2.071 179.410 177.584 -0.409 0.000 1.176 449 A CA 1.284 52.753 52.037 -0.946 0.000 0.628 449 A CB -0.591 17.834 19.000 -0.959 0.000 0.816 449 A HN 0.010 nan 8.150 nan 0.000 0.444 450 K N 0.032 120.280 120.400 -0.255 0.000 2.280 450 K HA -0.027 4.291 4.320 -0.003 0.000 0.202 450 K C 1.640 178.192 176.600 -0.080 0.000 1.047 450 K CA 0.983 57.189 56.287 -0.134 0.000 0.942 450 K CB -0.507 31.944 32.500 -0.081 0.000 0.739 450 K HN 0.637 nan 8.250 nan 0.000 0.457 451 I N 0.264 120.802 120.570 -0.053 0.000 2.277 451 I HA -0.162 4.006 4.170 -0.003 0.000 0.243 451 I C 2.720 178.829 176.117 -0.014 0.000 1.094 451 I CA 0.666 61.974 61.300 0.013 0.000 1.393 451 I CB -0.195 37.872 38.000 0.111 0.000 1.078 451 I HN 0.104 nan 8.210 nan 0.000 0.417 452 R N 1.044 121.507 120.500 -0.062 0.000 2.105 452 R HA -0.201 4.137 4.340 -0.003 0.000 0.239 452 R C 1.684 177.921 176.300 -0.106 0.000 1.135 452 R CA 1.858 57.909 56.100 -0.083 0.000 0.967 452 R CB -0.230 29.965 30.300 -0.176 0.000 0.861 452 R HN 0.335 nan 8.270 nan 0.000 0.442 453 D N 0.495 120.813 120.400 -0.137 0.000 2.077 453 D HA -0.145 4.493 4.640 -0.003 0.000 0.196 453 D C 1.766 178.030 176.300 -0.060 0.000 0.986 453 D CA 1.463 55.395 54.000 -0.113 0.000 0.829 453 D CB -0.162 40.565 40.800 -0.123 0.000 0.983 453 D HN 0.400 nan 8.370 nan 0.000 0.453 454 E N 0.186 120.361 120.200 -0.041 0.000 2.158 454 E HA -0.067 4.281 4.350 -0.003 0.000 0.191 454 E C 2.064 178.667 176.600 0.004 0.000 0.982 454 E CA 0.169 56.563 56.400 -0.010 0.000 0.823 454 E CB -0.041 29.657 29.700 -0.004 0.000 0.766 454 E HN 0.212 nan 8.360 nan 0.000 0.468 455 M N 0.642 120.241 119.600 -0.002 0.000 2.065 455 M HA -0.144 4.334 4.480 -0.003 0.000 0.259 455 M C 2.212 178.515 176.300 0.006 0.000 1.069 455 M CA 2.289 57.589 55.300 -0.001 0.000 1.110 455 M CB -0.496 32.099 32.600 -0.009 0.000 1.328 455 M HN 0.181 nan 8.290 nan 0.000 0.405 456 G N 0.717 109.517 108.800 0.001 0.000 2.442 456 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.219 456 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.219 456 G C 1.332 176.291 174.900 0.098 0.000 1.141 456 G CA 0.990 46.111 45.100 0.034 0.000 0.763 456 G HN 0.434 nan 8.290 nan 0.000 0.554 457 L N 1.006 122.271 121.223 0.069 0.000 2.046 457 L HA 0.059 4.397 4.340 -0.003 0.000 0.208 457 L C 3.271 180.208 176.870 0.112 0.000 1.077 457 L CA 1.848 56.745 54.840 0.095 0.000 0.747 457 L CB -0.497 41.598 42.059 0.061 0.000 0.896 457 L HN 0.271 nan 8.230 nan 0.000 0.432 458 A N -1.545 121.327 122.820 0.087 0.000 1.929 458 A HA -0.165 4.153 4.320 -0.003 0.000 0.216 458 A C 2.281 179.941 177.584 0.127 0.000 1.176 458 A CA 1.402 53.492 52.037 0.088 0.000 0.628 458 A CB -0.383 18.650 19.000 0.055 0.000 0.816 458 A HN 0.279 nan 8.150 nan 0.000 0.444 459 M N -0.599 119.081 119.600 0.133 0.000 2.086 459 M HA -0.110 4.368 4.480 -0.003 0.000 0.261 459 M C 2.116 178.754 176.300 0.564 0.000 1.067 459 M CA 1.558 56.971 55.300 0.189 0.000 1.116 459 M CB -1.097 31.388 32.600 -0.191 0.000 1.348 459 M HN 0.572 nan 8.290 nan 0.000 0.407 460 E N 0.230 120.741 120.200 0.519 0.000 2.150 460 E HA -0.214 4.134 4.350 -0.003 0.000 0.193 460 E C 1.788 178.514 176.600 0.210 0.000 0.985 460 E CA 1.157 57.764 56.400 0.344 0.000 0.814 460 E CB 0.072 29.938 29.700 0.277 0.000 0.752 460 E HN 0.586 nan 8.360 nan 0.000 0.466 461 E N -0.947 119.362 120.200 0.181 0.000 2.076 461 E HA -0.067 4.281 4.350 -0.003 0.000 0.190 461 E C 1.944 178.629 176.600 0.142 0.000 0.979 461 E CA 0.895 57.371 56.400 0.128 0.000 0.807 461 E CB -0.138 29.623 29.700 0.101 0.000 0.761 461 E HN 0.268 nan 8.360 nan 0.000 0.454 462 G N 0.273 109.166 108.800 0.154 0.000 2.404 462 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.213 462 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.213 462 G C 0.339 175.335 174.900 0.159 0.000 1.189 462 G CA 0.441 45.624 45.100 0.138 0.000 0.796 462 G HN 0.352 nan 8.290 nan 0.000 0.532 463 C N 0.964 120.402 119.300 0.229 0.000 2.298 463 C HA 0.816 5.274 4.460 -0.003 0.000 0.323 463 C C 0.609 175.736 174.990 0.229 0.000 1.284 463 C CA 0.272 59.441 59.018 0.252 0.000 1.577 463 C CB 0.188 28.141 27.740 0.356 0.000 2.249 463 C HN 0.623 nan 8.230 nan 0.000 0.497 464 G N 4.545 113.389 108.800 0.073 0.000 2.608 464 G HA2 0.383 4.341 3.960 -0.003 0.000 0.291 464 G HA3 0.383 4.341 3.960 -0.003 0.000 0.291 464 G C 0.484 175.203 174.900 -0.302 0.000 1.425 464 G CA -0.440 44.577 45.100 -0.137 0.000 0.787 464 G HN 0.435 nan 8.290 nan 0.000 0.484 465 I N -0.511 119.671 120.570 -0.646 0.000 2.145 465 I HA -0.137 4.031 4.170 -0.003 0.000 0.244 465 I C 0.604 176.394 176.117 -0.545 0.000 1.075 465 I CA 1.670 62.600 61.300 -0.617 0.000 1.332 465 I CB -0.502 37.038 38.000 -0.767 0.000 1.033 465 I HN 0.354 nan 8.210 nan 0.000 0.410 466 Y N 0.824 120.938 120.300 -0.310 0.000 2.328 466 Y HA 0.400 4.948 4.550 -0.003 0.000 0.337 466 Y C 0.437 176.212 175.900 -0.208 0.000 1.008 466 Y CA -0.743 57.105 58.100 -0.421 0.000 1.129 466 Y CB 0.933 38.787 38.460 -1.011 0.000 1.185 466 Y HN -0.035 nan 8.280 nan 0.000 0.476 467 R N 1.556 122.046 120.500 -0.017 0.000 2.534 467 R HA 0.493 4.831 4.340 -0.003 0.000 0.301 467 R C -0.902 175.388 176.300 -0.018 0.000 0.961 467 R CA -0.777 55.312 56.100 -0.018 0.000 0.871 467 R CB 1.822 32.067 30.300 -0.093 0.000 1.170 467 R HN 0.653 nan 8.270 nan 0.000 0.446 468 T N -0.802 113.769 114.554 0.028 0.000 2.887 468 T HA 0.372 4.720 4.350 -0.003 0.000 0.288 468 T C -2.241 172.474 174.700 0.026 0.000 1.021 468 T CA -2.271 59.842 62.100 0.022 0.000 1.000 468 T CB 2.260 71.158 68.868 0.049 0.000 1.034 468 T HN 0.193 nan 8.240 nan 0.000 0.467 469 P HA -0.014 nan 4.420 nan 0.000 0.223 469 P C 1.356 178.666 177.300 0.017 0.000 1.151 469 P CA 0.602 63.709 63.100 0.011 0.000 0.787 469 P CB 0.204 31.905 31.700 0.001 0.000 0.788 470 E N 0.372 120.587 120.200 0.024 0.000 2.077 470 E HA -0.158 4.190 4.350 -0.003 0.000 0.193 470 E C 1.651 178.274 176.600 0.038 0.000 0.989 470 E CA 1.504 57.922 56.400 0.030 0.000 0.800 470 E CB -1.122 28.600 29.700 0.037 0.000 0.746 470 E HN 0.188 nan 8.360 nan 0.000 0.452 471 L N -0.663 120.591 121.223 0.051 0.000 2.408 471 L HA 0.188 4.526 4.340 -0.003 0.000 0.215 471 L C 2.548 179.452 176.870 0.056 0.000 1.081 471 L CA 0.207 55.083 54.840 0.061 0.000 0.840 471 L CB -0.221 41.889 42.059 0.086 0.000 1.002 471 L HN 0.165 nan 8.230 nan 0.000 0.468 472 M N -0.256 119.373 119.600 0.048 0.000 2.149 472 M HA -0.268 4.210 4.480 -0.003 0.000 0.261 472 M C 2.322 178.627 176.300 0.009 0.000 1.064 472 M CA 1.805 57.128 55.300 0.037 0.000 1.102 472 M CB -0.169 32.449 32.600 0.029 0.000 1.369 472 M HN 0.211 nan 8.290 nan 0.000 0.408 473 Q N 0.839 120.642 119.800 0.004 0.000 2.079 473 Q HA -0.144 4.194 4.340 -0.003 0.000 0.200 473 Q C 1.913 177.921 176.000 0.013 0.000 0.974 473 Q CA 1.603 57.403 55.803 -0.005 0.000 0.840 473 Q CB -0.254 28.483 28.738 -0.001 0.000 0.898 473 Q HN 0.156 nan 8.270 nan 0.000 0.430 474 K N -0.625 119.792 120.400 0.027 0.000 2.152 474 K HA -0.119 4.199 4.320 -0.003 0.000 0.206 474 K C 1.688 178.312 176.600 0.039 0.000 1.048 474 K CA 1.737 58.045 56.287 0.035 0.000 0.933 474 K CB -0.216 32.310 32.500 0.043 0.000 0.721 474 K HN 0.321 nan 8.250 nan 0.000 0.447 475 T N 1.215 115.795 114.554 0.044 0.000 2.781 475 T HA 0.048 4.396 4.350 -0.003 0.000 0.252 475 T C 1.951 176.677 174.700 0.044 0.000 1.039 475 T CA 0.976 63.105 62.100 0.050 0.000 1.147 475 T CB -0.049 68.858 68.868 0.065 0.000 0.865 475 T HN 0.159 nan 8.240 nan 0.000 0.423 476 I N 1.662 122.255 120.570 0.038 0.000 2.423 476 I HA -0.177 3.991 4.170 -0.003 0.000 0.254 476 I C 1.908 178.058 176.117 0.055 0.000 1.151 476 I CA 1.022 62.355 61.300 0.055 0.000 1.421 476 I CB -0.402 37.594 38.000 -0.005 0.000 1.079 476 I HN 0.135 nan 8.210 nan 0.000 0.431 477 D N 0.682 121.104 120.400 0.036 0.000 2.264 477 D HA -0.162 4.476 4.640 -0.003 0.000 0.208 477 D C 2.069 178.391 176.300 0.038 0.000 0.966 477 D CA 1.061 55.082 54.000 0.036 0.000 0.864 477 D CB -0.002 40.816 40.800 0.029 0.000 0.933 477 D HN 0.107 nan 8.370 nan 0.000 0.499 478 K N -0.222 120.201 120.400 0.039 0.000 2.348 478 K HA 0.235 4.553 4.320 -0.003 0.000 0.194 478 K C 1.850 178.471 176.600 0.035 0.000 1.052 478 K CA 0.055 56.364 56.287 0.037 0.000 1.004 478 K CB 0.031 32.552 32.500 0.035 0.000 0.873 478 K HN 0.070 nan 8.250 nan 0.000 0.523 479 L N -0.099 121.147 121.223 0.037 0.000 2.072 479 L HA -0.028 4.310 4.340 -0.003 0.000 0.205 479 L C 2.129 179.015 176.870 0.027 0.000 1.079 479 L CA 1.275 56.132 54.840 0.027 0.000 0.752 479 L CB -0.391 41.689 42.059 0.035 0.000 0.906 479 L HN 0.156 nan 8.230 nan 0.000 0.436 480 A N -0.647 122.201 122.820 0.046 0.000 2.015 480 A HA -0.238 4.080 4.320 -0.003 0.000 0.219 480 A C 2.226 179.833 177.584 0.037 0.000 1.163 480 A CA 1.616 53.678 52.037 0.042 0.000 0.646 480 A CB -0.407 18.628 19.000 0.059 0.000 0.806 480 A HN 0.470 nan 8.150 nan 0.000 0.448 481 E N -0.609 119.615 120.200 0.039 0.000 2.107 481 E HA -0.142 4.206 4.350 -0.003 0.000 0.191 481 E C 1.565 178.196 176.600 0.051 0.000 0.982 481 E CA 0.796 57.221 56.400 0.042 0.000 0.809 481 E CB -0.091 29.633 29.700 0.039 0.000 0.756 481 E HN 0.407 nan 8.360 nan 0.000 0.459 482 L N 1.342 122.594 121.223 0.047 0.000 2.201 482 L HA -0.162 4.176 4.340 -0.003 0.000 0.212 482 L C 2.343 179.268 176.870 0.093 0.000 1.105 482 L CA 1.324 56.203 54.840 0.065 0.000 0.775 482 L CB -0.454 41.629 42.059 0.041 0.000 0.913 482 L HN 0.150 nan 8.230 nan 0.000 0.440 483 Q N -0.719 119.111 119.800 0.051 0.000 2.224 483 Q HA -0.195 4.144 4.340 -0.003 0.000 0.203 483 Q C 1.976 178.061 176.000 0.141 0.000 0.970 483 Q CA 0.971 56.809 55.803 0.059 0.000 0.865 483 Q CB -0.131 28.607 28.738 0.001 0.000 0.922 483 Q HN 0.578 nan 8.270 nan 0.000 0.445 484 E N 1.844 122.106 120.200 0.104 0.000 2.016 484 E HA -0.155 4.193 4.350 -0.003 0.000 0.190 484 E C 1.840 178.505 176.600 0.108 0.000 0.985 484 E CA 0.784 57.240 56.400 0.092 0.000 0.802 484 E CB 0.061 29.798 29.700 0.061 0.000 0.762 484 E HN 0.326 nan 8.360 nan 0.000 0.448 485 R N -0.046 120.519 120.500 0.109 0.000 2.241 485 R HA -0.113 4.225 4.340 -0.003 0.000 0.224 485 R C 2.280 178.663 176.300 0.138 0.000 1.101 485 R CA 0.813 56.973 56.100 0.100 0.000 0.995 485 R CB -1.104 29.247 30.300 0.085 0.000 0.870 485 R HN 0.184 nan 8.270 nan 0.000 0.463 486 F N 2.594 122.565 119.950 0.034 0.000 2.216 486 F HA -0.059 4.466 4.527 -0.004 0.000 0.300 486 F C 1.752 177.571 175.800 0.032 0.000 1.085 486 F CA 1.357 59.382 58.000 0.041 0.000 1.326 486 F CB 0.162 39.181 39.000 0.033 0.000 1.027 486 F HN -0.189 nan 8.300 nan 0.000 0.497 487 K N 0.147 120.578 120.400 0.051 0.000 2.426 487 K HA 0.099 4.417 4.320 -0.003 0.000 0.193 487 K C 1.704 178.275 176.600 -0.048 0.000 1.028 487 K CA 0.343 56.608 56.287 -0.037 0.000 1.047 487 K CB -0.102 32.423 32.500 0.042 0.000 0.821 487 K HN 0.341 nan 8.250 nan 0.000 0.513 488 R N 0.499 120.985 120.500 -0.023 0.000 2.300 488 R HA 0.119 4.457 4.340 -0.003 0.000 0.199 488 R C 0.156 176.439 176.300 -0.029 0.000 0.920 488 R CA -0.014 56.077 56.100 -0.014 0.000 1.046 488 R CB 0.510 30.819 30.300 0.014 0.000 0.984 488 R HN -0.153 nan 8.270 nan 0.000 0.493 489 V N 3.218 123.092 119.914 -0.067 0.000 2.530 489 V HA 0.097 4.215 4.120 -0.003 0.000 0.282 489 V C 0.384 176.432 176.094 -0.076 0.000 1.048 489 V CA -0.327 61.941 62.300 -0.054 0.000 0.997 489 V CB 0.968 32.752 31.823 -0.065 0.000 0.987 489 V HN 0.278 nan 8.190 nan 0.000 0.477 490 R N 5.302 125.782 120.500 -0.034 0.000 2.460 490 R HA 0.570 4.908 4.340 -0.003 0.000 0.303 490 R C -0.913 175.366 176.300 -0.035 0.000 0.968 490 R CA -0.842 55.233 56.100 -0.041 0.000 0.889 490 R CB 1.099 31.384 30.300 -0.024 0.000 1.123 490 R HN 0.453 nan 8.270 nan 0.000 0.455 491 I N 3.748 124.280 120.570 -0.064 0.000 2.421 491 I HA 0.015 4.183 4.170 -0.003 0.000 0.291 491 I C 0.948 177.042 176.117 -0.037 0.000 1.089 491 I CA 0.315 61.573 61.300 -0.069 0.000 1.354 491 I CB 0.768 38.706 38.000 -0.103 0.000 1.413 491 I HN 0.884 nan 8.210 nan 0.000 0.513 492 T N 4.567 119.113 114.554 -0.013 0.000 3.223 492 T HA 0.077 4.425 4.350 -0.003 0.000 0.259 492 T C 0.132 174.833 174.700 0.001 0.000 1.015 492 T CA -0.197 61.904 62.100 0.001 0.000 0.908 492 T CB -0.422 68.459 68.868 0.021 0.000 1.054 492 T HN 0.674 nan 8.240 nan 0.000 0.567 493 D N 0.686 121.077 120.400 -0.015 0.000 2.686 493 D HA 0.193 4.831 4.640 -0.003 0.000 0.249 493 D C -1.357 174.925 176.300 -0.031 0.000 1.260 493 D CA -0.234 53.758 54.000 -0.014 0.000 0.910 493 D CB 2.154 42.952 40.800 -0.004 0.000 1.323 493 D HN 0.078 nan 8.370 nan 0.000 0.561 494 T N 2.104 116.644 114.554 -0.023 0.000 3.064 494 T HA 0.415 4.763 4.350 -0.003 0.000 0.367 494 T C -1.420 173.268 174.700 -0.020 0.000 1.202 494 T CA -0.292 61.791 62.100 -0.029 0.000 1.133 494 T CB 0.359 69.210 68.868 -0.029 0.000 1.074 494 T HN 0.221 nan 8.240 nan 0.000 0.519 495 S N 2.290 117.977 115.700 -0.021 0.000 2.569 495 S HA 0.606 5.074 4.470 -0.003 0.000 0.280 495 S C 0.839 175.427 174.600 -0.020 0.000 1.111 495 S CA -0.523 57.670 58.200 -0.011 0.000 0.887 495 S CB 2.106 65.307 63.200 0.002 0.000 1.095 495 S HN 0.511 nan 8.310 nan 0.000 0.476 496 S N 2.001 117.692 115.700 -0.015 0.000 2.483 496 S HA 0.264 4.732 4.470 -0.003 0.000 0.221 496 S C 0.125 174.715 174.600 -0.018 0.000 1.030 496 S CA 0.120 58.305 58.200 -0.026 0.000 0.925 496 S CB 0.111 63.298 63.200 -0.021 0.000 0.795 496 S HN 0.544 nan 8.310 nan 0.000 0.511 497 V N 3.118 123.040 119.914 0.013 0.000 2.389 497 V HA 0.376 4.494 4.120 -0.003 0.000 0.264 497 V C -0.189 175.983 176.094 0.131 0.000 1.049 497 V CA -0.364 61.968 62.300 0.054 0.000 0.932 497 V CB -0.396 31.459 31.823 0.054 0.000 1.011 497 V HN 0.564 nan 8.190 nan 0.000 0.475 498 F N 4.454 124.357 119.950 -0.078 0.000 2.797 498 F HA -0.218 4.307 4.527 -0.003 0.000 0.273 498 F C 0.566 176.309 175.800 -0.096 0.000 1.020 498 F CA 0.334 58.279 58.000 -0.093 0.000 0.961 498 F CB -0.405 38.555 39.000 -0.066 0.000 1.020 498 F HN 0.665 nan 8.300 nan 0.000 0.840 499 N N 1.177 119.801 118.700 -0.127 0.000 2.406 499 N HA 0.239 4.977 4.740 -0.003 0.000 0.251 499 N C 1.081 176.436 175.510 -0.257 0.000 1.069 499 N CA 0.518 53.490 53.050 -0.129 0.000 0.947 499 N CB 1.118 39.532 38.487 -0.122 0.000 1.111 499 N HN 0.399 nan 8.380 nan 0.000 0.497 500 T N -0.216 114.238 114.554 -0.167 0.000 2.953 500 T HA -0.089 4.259 4.350 -0.003 0.000 0.247 500 T C 1.384 175.960 174.700 -0.207 0.000 1.029 500 T CA 0.469 62.421 62.100 -0.247 0.000 1.144 500 T CB -0.442 68.473 68.868 0.078 0.000 0.870 500 T HN 0.480 nan 8.240 nan 0.000 0.446 501 D N 1.333 121.673 120.400 -0.100 0.000 2.200 501 D HA -0.194 4.444 4.640 -0.003 0.000 0.192 501 D C 1.949 177.969 176.300 -0.466 0.000 1.008 501 D CA 1.410 55.270 54.000 -0.233 0.000 0.872 501 D CB -0.300 40.433 40.800 -0.112 0.000 0.923 501 D HN 0.422 nan 8.370 nan 0.000 0.447 502 L N -0.361 120.652 121.223 -0.350 0.000 2.068 502 L HA -0.107 4.231 4.340 -0.003 0.000 0.204 502 L C 2.670 179.293 176.870 -0.412 0.000 1.076 502 L CA 0.457 55.089 54.840 -0.347 0.000 0.753 502 L CB -0.173 41.735 42.059 -0.252 0.000 0.910 502 L HN 0.072 nan 8.230 nan 0.000 0.439 503 L N -1.385 119.536 121.223 -0.503 0.000 2.201 503 L HA -0.208 4.130 4.340 -0.003 0.000 0.212 503 L C 1.980 178.432 176.870 -0.698 0.000 1.105 503 L CA 1.698 56.137 54.840 -0.668 0.000 0.775 503 L CB -0.476 41.071 42.059 -0.854 0.000 0.913 503 L HN 0.229 nan 8.230 nan 0.000 0.440 504 Y N -1.269 118.703 120.300 -0.546 0.000 2.373 504 Y HA -0.169 4.379 4.550 -0.003 0.000 0.293 504 Y C 2.362 178.012 175.900 -0.417 0.000 1.129 504 Y CA 1.315 59.122 58.100 -0.488 0.000 1.226 504 Y CB -0.411 37.690 38.460 -0.598 0.000 1.000 504 Y HN 0.156 nan 8.280 nan 0.000 0.549 505 T N 0.082 114.404 114.554 -0.386 0.000 2.904 505 T HA -0.106 4.242 4.350 -0.003 0.000 0.267 505 T C 1.822 176.603 174.700 0.134 0.000 1.059 505 T CA 1.154 63.176 62.100 -0.129 0.000 1.137 505 T CB -0.306 68.390 68.868 -0.287 0.000 0.879 505 T HN 0.256 nan 8.240 nan 0.000 0.467 506 I N 1.338 121.907 120.570 -0.003 0.000 2.226 506 I HA -0.147 4.021 4.170 -0.003 0.000 0.245 506 I C 2.620 178.853 176.117 0.193 0.000 1.100 506 I CA 1.342 62.719 61.300 0.129 0.000 1.374 506 I CB -0.401 37.576 38.000 -0.038 0.000 1.057 506 I HN 0.279 nan 8.210 nan 0.000 0.413 507 E N 0.554 120.760 120.200 0.010 0.000 2.110 507 E HA -0.249 4.100 4.350 -0.003 0.000 0.193 507 E C 2.134 178.826 176.600 0.153 0.000 0.988 507 E CA 1.074 57.515 56.400 0.068 0.000 0.804 507 E CB -0.222 29.497 29.700 0.033 0.000 0.745 507 E HN 0.314 nan 8.360 nan 0.000 0.458 508 L N 0.793 122.139 121.223 0.205 0.000 2.131 508 L HA -0.056 4.282 4.340 -0.003 0.000 0.210 508 L C 2.065 178.965 176.870 0.050 0.000 1.092 508 L CA 2.042 57.019 54.840 0.230 0.000 0.759 508 L CB -0.621 41.697 42.059 0.433 0.000 0.903 508 L HN 0.076 nan 8.230 nan 0.000 0.435 509 G N -2.118 106.716 108.800 0.056 0.000 2.396 509 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.214 509 G HA3 -0.193 3.765 3.960 -0.003 0.000 0.214 509 G C 1.375 176.153 174.900 -0.203 0.000 1.166 509 G CA 0.499 45.360 45.100 -0.398 0.000 0.793 509 G HN 0.607 nan 8.290 nan 0.000 0.533 510 H N 0.482 119.503 119.070 -0.082 0.000 2.563 510 H HA 0.033 4.587 4.556 -0.004 0.000 0.272 510 H C 2.399 177.680 175.328 -0.080 0.000 1.005 510 H CA 0.492 56.506 56.048 -0.057 0.000 1.171 510 H CB 0.413 30.182 29.762 0.012 0.000 1.351 510 H HN 0.442 nan 8.280 nan 0.000 0.602 511 G N 0.096 108.892 108.800 -0.006 0.000 2.742 511 G HA2 -0.009 3.949 3.960 -0.003 0.000 0.204 511 G HA3 -0.009 3.949 3.960 -0.003 0.000 0.204 511 G C 1.693 176.527 174.900 -0.110 0.000 1.126 511 G CA -0.265 44.806 45.100 -0.048 0.000 0.829 511 G HN 0.151 nan 8.290 nan 0.000 0.574 512 L N 1.281 122.407 121.223 -0.163 0.000 2.079 512 L HA -0.103 4.235 4.340 -0.003 0.000 0.210 512 L C 2.539 179.312 176.870 -0.162 0.000 1.081 512 L CA 1.015 55.751 54.840 -0.173 0.000 0.752 512 L CB -0.514 41.396 42.059 -0.250 0.000 0.896 512 L HN 0.118 nan 8.230 nan 0.000 0.433 513 N N -0.156 118.430 118.700 -0.189 0.000 2.188 513 N HA -0.124 4.614 4.740 -0.003 0.000 0.184 513 N C 1.865 177.293 175.510 -0.135 0.000 1.018 513 N CA 1.035 53.986 53.050 -0.165 0.000 0.858 513 N CB -0.457 37.922 38.487 -0.180 0.000 0.989 513 N HN 0.138 nan 8.380 nan 0.000 0.426 514 V N 1.168 121.010 119.914 -0.119 0.000 2.488 514 V HA -0.017 4.101 4.120 -0.003 0.000 0.246 514 V C 2.292 178.326 176.094 -0.100 0.000 1.046 514 V CA 1.380 63.619 62.300 -0.102 0.000 1.053 514 V CB -0.718 31.056 31.823 -0.082 0.000 0.679 514 V HN 0.269 nan 8.190 nan 0.000 0.458 515 A N -0.353 122.402 122.820 -0.110 0.000 1.933 515 A HA -0.220 4.098 4.320 -0.003 0.000 0.218 515 A C 2.130 179.683 177.584 -0.053 0.000 1.175 515 A CA 1.751 53.721 52.037 -0.111 0.000 0.628 515 A CB -0.369 18.554 19.000 -0.128 0.000 0.814 515 A HN 0.613 nan 8.150 nan 0.000 0.444 516 E N -1.295 118.872 120.200 -0.055 0.000 2.152 516 E HA -0.148 4.200 4.350 -0.003 0.000 0.192 516 E C 1.923 178.496 176.600 -0.046 0.000 0.983 516 E CA 0.873 57.261 56.400 -0.020 0.000 0.818 516 E CB -0.302 29.327 29.700 -0.119 0.000 0.758 516 E HN 0.642 nan 8.360 nan 0.000 0.467 517 C N 0.470 119.714 119.300 -0.093 0.000 2.432 517 C HA -0.051 4.407 4.460 -0.003 0.000 0.280 517 C C 2.455 177.419 174.990 -0.044 0.000 1.353 517 C CA 0.679 59.639 59.018 -0.097 0.000 1.766 517 C CB -0.594 27.077 27.740 -0.115 0.000 1.924 517 C HN 0.422 nan 8.230 nan 0.000 0.509 518 M N -0.114 119.474 119.600 -0.021 0.000 2.287 518 M HA 0.035 4.513 4.480 -0.003 0.000 0.266 518 M C 2.463 178.787 176.300 0.041 0.000 1.079 518 M CA 1.506 56.807 55.300 0.001 0.000 1.146 518 M CB -0.442 32.160 32.600 0.005 0.000 1.374 518 M HN 0.399 nan 8.290 nan 0.000 0.435 519 A N -0.460 122.410 122.820 0.083 0.000 1.968 519 A HA -0.126 4.192 4.320 -0.003 0.000 0.217 519 A C 1.808 179.450 177.584 0.097 0.000 1.169 519 A CA 1.194 53.293 52.037 0.105 0.000 0.638 519 A CB -0.952 18.118 19.000 0.117 0.000 0.812 519 A HN 0.484 nan 8.150 nan 0.000 0.446 520 H N -0.941 118.125 119.070 -0.008 0.000 2.372 520 H HA -0.014 4.540 4.556 -0.003 0.000 0.301 520 H C 2.405 177.730 175.328 -0.003 0.000 1.065 520 H CA 1.252 57.301 56.048 0.002 0.000 1.364 520 H CB 0.117 29.876 29.762 -0.004 0.000 1.406 520 H HN 0.478 nan 8.280 nan 0.000 0.521 521 S N 0.615 116.364 115.700 0.081 0.000 2.400 521 S HA -0.153 4.315 4.470 -0.003 0.000 0.232 521 S C 2.359 176.921 174.600 -0.065 0.000 1.025 521 S CA 0.864 59.056 58.200 -0.014 0.000 0.993 521 S CB -0.130 63.019 63.200 -0.084 0.000 0.808 521 S HN 0.473 nan 8.310 nan 0.000 0.478 522 A N 1.459 124.226 122.820 -0.089 0.000 1.832 522 A HA -0.059 4.259 4.320 -0.003 0.000 0.214 522 A C 2.107 179.688 177.584 -0.004 0.000 1.200 522 A CA 1.803 53.750 52.037 -0.150 0.000 0.610 522 A CB -0.817 18.199 19.000 0.025 0.000 0.842 522 A HN 0.443 nan 8.150 nan 0.000 0.444 523 M N 0.514 120.130 119.600 0.028 0.000 2.116 523 M HA -0.208 4.270 4.480 -0.003 0.000 0.255 523 M C 1.963 178.287 176.300 0.040 0.000 1.075 523 M CA 2.227 57.538 55.300 0.017 0.000 1.087 523 M CB -0.472 32.090 32.600 -0.063 0.000 1.340 523 M HN 0.387 nan 8.290 nan 0.000 0.402 524 A N -0.869 122.003 122.820 0.087 0.000 2.067 524 A HA 0.025 4.343 4.320 -0.003 0.000 0.217 524 A C 1.524 179.247 177.584 0.231 0.000 1.156 524 A CA 0.297 52.442 52.037 0.181 0.000 0.683 524 A CB -0.498 18.675 19.000 0.288 0.000 0.808 524 A HN 0.495 nan 8.150 nan 0.000 0.455 525 R N 1.479 122.051 120.500 0.119 0.000 2.272 525 R HA 0.119 4.457 4.340 -0.003 0.000 0.334 525 R C -0.649 175.458 176.300 -0.322 0.000 1.117 525 R CA -0.248 55.842 56.100 -0.017 0.000 0.966 525 R CB 0.217 30.455 30.300 -0.104 0.000 1.049 525 R HN -0.042 nan 8.270 nan 0.000 0.477 526 K N 5.104 124.944 120.400 -0.933 0.000 2.751 526 K HA 0.052 4.370 4.320 -0.003 0.000 0.252 526 K C -0.573 175.660 176.600 -0.612 0.000 1.277 526 K CA 0.077 55.959 56.287 -0.674 0.000 1.226 526 K CB -0.143 32.008 32.500 -0.582 0.000 1.658 526 K HN 0.749 nan 8.250 nan 0.000 0.303 527 E N -2.010 117.996 120.200 -0.324 0.000 2.423 527 E HA 0.354 4.702 4.350 -0.003 0.000 0.280 527 E C -1.236 175.375 176.600 0.019 0.000 1.030 527 E CA -0.906 55.408 56.400 -0.143 0.000 0.812 527 E CB 0.946 30.580 29.700 -0.110 0.000 1.313 527 E HN -0.140 nan 8.360 nan 0.000 0.456 528 S N 0.707 116.420 115.700 0.022 0.000 2.516 528 S HA 0.377 4.845 4.470 -0.003 0.000 0.268 528 S C -0.746 173.918 174.600 0.107 0.000 1.251 528 S CA -0.641 57.581 58.200 0.037 0.000 1.153 528 S CB 0.334 63.516 63.200 -0.030 0.000 1.009 528 S HN 0.404 nan 8.310 nan 0.000 0.479 529 R N 1.769 122.402 120.500 0.221 0.000 2.562 529 R HA 0.617 4.955 4.340 -0.003 0.000 0.298 529 R C 1.042 177.580 176.300 0.396 0.000 0.961 529 R CA 0.369 56.636 56.100 0.279 0.000 0.881 529 R CB 0.941 31.445 30.300 0.340 0.000 1.159 529 R HN 0.732 nan 8.270 nan 0.000 0.450 530 G N 2.444 111.383 108.800 0.233 0.000 2.660 530 G HA2 -0.480 3.478 3.960 -0.003 0.000 0.321 530 G HA3 -0.480 3.478 3.960 -0.003 0.000 0.321 530 G C 0.806 175.825 174.900 0.199 0.000 1.246 530 G CA 0.729 45.926 45.100 0.162 0.000 1.000 530 G HN 0.809 nan 8.290 nan 0.000 0.550 531 A N -0.633 122.361 122.820 0.290 0.000 1.969 531 A HA 0.196 4.514 4.320 -0.003 0.000 0.218 531 A C 1.387 179.132 177.584 0.268 0.000 1.169 531 A CA 2.093 54.291 52.037 0.268 0.000 0.635 531 A CB -0.404 18.802 19.000 0.343 0.000 0.810 531 A HN 1.484 nan 8.150 nan 0.000 0.445 532 H N 1.250 120.500 119.070 0.300 0.000 3.004 532 H HA 0.365 4.919 4.556 -0.003 0.000 0.267 532 H C -0.649 174.701 175.328 0.037 0.000 1.165 532 H CA -0.026 56.057 56.048 0.058 0.000 1.450 532 H CB 0.018 29.660 29.762 -0.200 0.000 1.488 532 H HN 0.197 nan 8.280 nan 0.000 0.478 533 Q N 5.456 125.057 119.800 -0.333 0.000 2.339 533 Q HA 0.224 4.562 4.340 -0.003 0.000 0.268 533 Q C -0.485 175.334 176.000 -0.302 0.000 1.027 533 Q CA -0.699 54.954 55.803 -0.250 0.000 0.759 533 Q CB 1.733 30.394 28.738 -0.129 0.000 1.244 533 Q HN 0.799 nan 8.270 nan 0.000 0.464 534 R N 2.194 122.506 120.500 -0.313 0.000 2.310 534 R HA 0.436 4.774 4.340 -0.003 0.000 0.324 534 R C 0.182 176.409 176.300 -0.122 0.000 0.955 534 R CA -0.557 55.418 56.100 -0.208 0.000 0.830 534 R CB 0.793 30.968 30.300 -0.209 0.000 1.154 534 R HN 0.473 nan 8.270 nan 0.000 0.458 535 L N 1.306 122.460 121.223 -0.115 0.000 2.395 535 L HA -0.046 4.292 4.340 -0.003 0.000 0.218 535 L C 0.538 177.348 176.870 -0.101 0.000 1.130 535 L CA 0.265 55.025 54.840 -0.133 0.000 0.826 535 L CB -0.470 41.447 42.059 -0.236 0.000 0.941 535 L HN 0.769 nan 8.230 nan 0.000 0.451 536 D N 1.519 121.871 120.400 -0.081 0.000 2.449 536 D HA -0.085 4.553 4.640 -0.003 0.000 0.236 536 D C 0.248 176.514 176.300 -0.057 0.000 1.149 536 D CA -0.257 53.707 54.000 -0.059 0.000 0.878 536 D CB 0.571 41.345 40.800 -0.044 0.000 1.198 536 D HN 0.072 nan 8.370 nan 0.000 0.446 537 E N 0.883 121.056 120.200 -0.046 0.000 2.502 537 E HA 0.118 4.467 4.350 -0.003 0.000 0.261 537 E C 1.232 177.807 176.600 -0.043 0.000 0.974 537 E CA 0.428 56.803 56.400 -0.041 0.000 0.936 537 E CB -0.055 29.627 29.700 -0.030 0.000 0.926 537 E HN 0.849 nan 8.360 nan 0.000 0.459 538 G N 2.258 111.032 108.800 -0.043 0.000 2.304 538 G HA2 -0.368 3.590 3.960 -0.003 0.000 0.252 538 G HA3 -0.368 3.590 3.960 -0.003 0.000 0.252 538 G C 0.826 175.684 174.900 -0.069 0.000 1.014 538 G CA 0.309 45.381 45.100 -0.046 0.000 0.619 538 G HN 0.658 nan 8.290 nan 0.000 0.525 539 C N 1.739 120.993 119.300 -0.077 0.000 3.183 539 C HA 0.362 4.820 4.460 -0.003 0.000 0.285 539 C C 2.827 177.771 174.990 -0.077 0.000 1.313 539 C CA 1.115 60.074 59.018 -0.099 0.000 1.711 539 C CB -0.746 26.931 27.740 -0.105 0.000 2.135 539 C HN 0.830 nan 8.230 nan 0.000 0.651 540 T N 0.691 115.206 114.554 -0.064 0.000 2.649 540 T HA -0.220 4.128 4.350 -0.003 0.000 0.268 540 T C 0.428 175.102 174.700 -0.043 0.000 1.036 540 T CA 1.559 63.625 62.100 -0.057 0.000 1.157 540 T CB -0.169 68.669 68.868 -0.050 0.000 0.861 540 T HN 0.692 nan 8.240 nan 0.000 0.445 541 E N -0.069 120.110 120.200 -0.035 0.000 2.281 541 E HA 0.541 4.889 4.350 -0.003 0.000 0.257 541 E C -0.342 176.252 176.600 -0.010 0.000 0.971 541 E CA -1.141 55.248 56.400 -0.018 0.000 0.839 541 E CB 1.270 30.960 29.700 -0.016 0.000 1.238 541 E HN 0.144 nan 8.360 nan 0.000 0.412 542 R N 1.417 121.923 120.500 0.011 0.000 2.438 542 R HA 0.085 4.423 4.340 -0.003 0.000 0.287 542 R C -1.092 175.221 176.300 0.021 0.000 1.077 542 R CA -0.036 56.083 56.100 0.032 0.000 1.034 542 R CB 0.500 30.833 30.300 0.055 0.000 0.993 542 R HN 0.575 nan 8.270 nan 0.000 0.459 543 D N 1.481 121.903 120.400 0.036 0.000 2.505 543 D HA 0.149 4.787 4.640 -0.003 0.000 0.249 543 D C -0.611 175.731 176.300 0.070 0.000 1.082 543 D CA -0.572 53.455 54.000 0.045 0.000 0.839 543 D CB 1.823 42.651 40.800 0.046 0.000 1.317 543 D HN 0.378 nan 8.370 nan 0.000 0.497 544 D N 1.901 122.322 120.400 0.035 0.000 2.423 544 D HA 0.099 4.737 4.640 -0.003 0.000 0.208 544 D C 1.449 177.758 176.300 0.014 0.000 1.068 544 D CA 0.295 54.303 54.000 0.013 0.000 0.860 544 D CB 0.857 41.626 40.800 -0.051 0.000 0.992 544 D HN 0.286 nan 8.370 nan 0.000 0.504 545 V N 0.312 120.241 119.914 0.024 0.000 2.949 545 V HA 0.101 4.219 4.120 -0.003 0.000 0.245 545 V C 1.780 177.886 176.094 0.019 0.000 1.086 545 V CA 0.771 63.078 62.300 0.012 0.000 1.097 545 V CB -0.032 31.793 31.823 0.004 0.000 0.762 545 V HN 0.176 nan 8.190 nan 0.000 0.470 546 N N -0.517 118.226 118.700 0.072 0.000 2.428 546 N HA 0.100 4.838 4.740 -0.003 0.000 0.181 546 N C 0.686 176.180 175.510 -0.028 0.000 1.028 546 N CA 1.004 54.099 53.050 0.075 0.000 0.877 546 N CB 0.302 38.949 38.487 0.266 0.000 1.064 546 N HN 0.399 nan 8.380 nan 0.000 0.434 547 F N 0.968 120.892 119.950 -0.043 0.000 2.791 547 F HA 0.305 4.830 4.527 -0.003 0.000 0.308 547 F C 0.040 175.842 175.800 0.004 0.000 1.138 547 F CA -0.450 57.525 58.000 -0.040 0.000 1.294 547 F CB 0.299 39.281 39.000 -0.031 0.000 0.975 547 F HN -0.100 nan 8.300 nan 0.000 0.512 548 L N 3.829 125.113 121.223 0.103 0.000 2.391 548 L HA 0.260 4.598 4.340 -0.003 0.000 0.249 548 L C -0.018 176.876 176.870 0.040 0.000 1.308 548 L CA 0.308 55.194 54.840 0.077 0.000 1.209 548 L CB -1.320 40.772 42.059 0.054 0.000 1.401 548 L HN 0.154 nan 8.230 nan 0.000 0.416 549 K N 0.822 121.253 120.400 0.051 0.000 2.575 549 K HA 0.348 4.666 4.320 -0.003 0.000 0.279 549 K C -1.244 175.403 176.600 0.079 0.000 0.969 549 K CA -0.911 55.411 56.287 0.058 0.000 0.868 549 K CB 0.934 33.486 32.500 0.086 0.000 1.457 549 K HN 0.139 nan 8.250 nan 0.000 0.426 550 H N 0.666 119.831 119.070 0.158 0.000 2.742 550 H HA 0.169 4.723 4.556 -0.003 0.000 0.302 550 H C -0.512 174.874 175.328 0.097 0.000 1.069 550 H CA 0.434 56.562 56.048 0.133 0.000 1.446 550 H CB 1.222 31.036 29.762 0.087 0.000 1.462 550 H HN 0.411 nan 8.280 nan 0.000 0.499 551 T N 5.473 120.127 114.554 0.168 0.000 2.869 551 T HA 0.344 4.692 4.350 -0.003 0.000 0.295 551 T C -0.036 174.546 174.700 -0.197 0.000 0.987 551 T CA -0.515 61.517 62.100 -0.114 0.000 1.109 551 T CB 0.250 69.055 68.868 -0.106 0.000 0.932 551 T HN 0.319 nan 8.240 nan 0.000 0.518 552 L N 1.747 122.751 121.223 -0.365 0.000 2.370 552 L HA 0.919 5.257 4.340 -0.003 0.000 0.266 552 L C -0.293 176.344 176.870 -0.388 0.000 1.002 552 L CA -1.327 53.308 54.840 -0.342 0.000 0.818 552 L CB 1.898 43.787 42.059 -0.283 0.000 1.325 552 L HN 0.665 nan 8.230 nan 0.000 0.418 553 A N 1.747 124.277 122.820 -0.484 0.000 2.455 553 A HA 0.881 5.199 4.320 -0.003 0.000 0.300 553 A C -1.555 175.702 177.584 -0.545 0.000 1.040 553 A CA -0.329 51.489 52.037 -0.366 0.000 0.697 553 A CB 1.133 20.002 19.000 -0.218 0.000 1.265 553 A HN 0.481 nan 8.150 nan 0.000 0.407 554 F N 0.801 120.700 119.950 -0.086 0.000 2.493 554 F HA 0.581 5.106 4.527 -0.004 0.000 0.329 554 F C 0.589 176.339 175.800 -0.083 0.000 1.126 554 F CA -0.536 57.421 58.000 -0.072 0.000 0.937 554 F CB 2.027 40.993 39.000 -0.057 0.000 1.146 554 F HN 0.637 nan 8.300 nan 0.000 0.442 555 R N 3.131 123.672 120.500 0.068 0.000 2.220 555 R HA 0.160 4.498 4.340 -0.003 0.000 0.340 555 R C -0.763 175.548 176.300 0.018 0.000 1.076 555 R CA -0.578 55.522 56.100 -0.000 0.000 0.920 555 R CB -0.015 30.253 30.300 -0.054 0.000 1.062 555 R HN 0.591 nan 8.270 nan 0.000 0.469 556 D N 3.087 123.492 120.400 0.009 0.000 2.400 556 D HA -0.042 4.596 4.640 -0.003 0.000 0.238 556 D C 1.155 177.443 176.300 -0.019 0.000 1.157 556 D CA 0.369 54.365 54.000 -0.008 0.000 0.889 556 D CB 0.960 41.751 40.800 -0.016 0.000 1.199 556 D HN 0.640 nan 8.370 nan 0.000 0.436 557 A N 2.214 125.019 122.820 -0.024 0.000 2.084 557 A HA -0.236 4.082 4.320 -0.003 0.000 0.221 557 A C 1.507 179.079 177.584 -0.020 0.000 1.161 557 A CA 1.802 53.824 52.037 -0.025 0.000 0.653 557 A CB -0.371 18.612 19.000 -0.029 0.000 0.802 557 A HN 0.640 nan 8.150 nan 0.000 0.457 558 D N -2.170 118.219 120.400 -0.018 0.000 2.312 558 D HA 0.196 4.834 4.640 -0.003 0.000 0.211 558 D C 1.286 177.578 176.300 -0.013 0.000 0.964 558 D CA 1.270 55.262 54.000 -0.013 0.000 0.877 558 D CB -0.573 40.220 40.800 -0.011 0.000 0.924 558 D HN 0.873 nan 8.370 nan 0.000 0.515 559 G N -1.393 107.393 108.800 -0.023 0.000 2.192 559 G HA2 -0.170 3.788 3.960 -0.003 0.000 0.193 559 G HA3 -0.170 3.788 3.960 -0.003 0.000 0.193 559 G C 0.282 175.152 174.900 -0.049 0.000 0.999 559 G CA 0.156 45.236 45.100 -0.033 0.000 0.659 559 G HN 0.499 nan 8.290 nan 0.000 0.503 560 T N 1.013 115.540 114.554 -0.046 0.000 2.942 560 T HA 0.666 5.015 4.350 -0.003 0.000 0.289 560 T C -0.207 174.442 174.700 -0.086 0.000 1.044 560 T CA 0.061 62.118 62.100 -0.071 0.000 1.023 560 T CB 1.958 70.807 68.868 -0.031 0.000 1.123 560 T HN 0.151 nan 8.240 nan 0.000 0.512 561 T N 2.302 116.759 114.554 -0.162 0.000 2.795 561 T HA 0.470 4.818 4.350 -0.003 0.000 0.282 561 T C 0.060 174.729 174.700 -0.053 0.000 0.980 561 T CA -0.661 61.358 62.100 -0.134 0.000 1.012 561 T CB 1.050 69.771 68.868 -0.246 0.000 0.936 561 T HN 0.416 nan 8.240 nan 0.000 0.457 562 R N 2.766 123.284 120.500 0.030 0.000 2.573 562 R HA 0.668 5.006 4.340 -0.003 0.000 0.272 562 R C -1.173 175.185 176.300 0.098 0.000 1.009 562 R CA -0.661 55.485 56.100 0.076 0.000 1.059 562 R CB 0.582 30.929 30.300 0.078 0.000 1.112 562 R HN 0.549 nan 8.270 nan 0.000 0.517 563 L N 1.950 123.228 121.223 0.092 0.000 2.362 563 L HA 0.528 4.866 4.340 -0.003 0.000 0.271 563 L C -0.457 176.423 176.870 0.017 0.000 1.002 563 L CA -0.563 54.283 54.840 0.012 0.000 0.818 563 L CB 2.220 44.288 42.059 0.015 0.000 1.298 563 L HN 0.749 nan 8.230 nan 0.000 0.420 564 E N 0.972 121.078 120.200 -0.157 0.000 2.446 564 E HA 0.606 4.955 4.350 -0.003 0.000 0.276 564 E C -1.935 174.426 176.600 -0.399 0.000 0.969 564 E CA -0.813 55.558 56.400 -0.048 0.000 0.800 564 E CB 2.898 32.712 29.700 0.190 0.000 1.341 564 E HN 0.289 nan 8.360 nan 0.000 0.460 565 Y N -0.401 119.933 120.300 0.058 0.000 2.534 565 Y HA 0.498 5.046 4.550 -0.003 0.000 0.345 565 Y C -0.470 175.459 175.900 0.048 0.000 1.031 565 Y CA -0.727 57.394 58.100 0.034 0.000 1.022 565 Y CB 2.526 40.969 38.460 -0.029 0.000 1.292 565 Y HN 0.332 nan 8.280 nan 0.000 0.459 566 S N 1.551 117.382 115.700 0.218 0.000 2.547 566 S HA 0.414 4.882 4.470 -0.003 0.000 0.281 566 S C -1.463 173.247 174.600 0.183 0.000 1.118 566 S CA -0.912 57.391 58.200 0.172 0.000 0.947 566 S CB 0.809 64.096 63.200 0.146 0.000 1.053 566 S HN 0.617 nan 8.310 nan 0.000 0.482 567 D N 2.217 122.699 120.400 0.137 0.000 2.423 567 D HA 0.142 4.780 4.640 -0.003 0.000 0.238 567 D C -0.085 176.315 176.300 0.167 0.000 1.142 567 D CA 0.253 54.324 54.000 0.118 0.000 0.884 567 D CB 1.031 41.882 40.800 0.086 0.000 1.199 567 D HN 0.312 nan 8.370 nan 0.000 0.438 568 V N 2.698 122.687 119.914 0.124 0.000 2.406 568 V HA 0.024 4.142 4.120 -0.003 0.000 0.272 568 V C 0.532 176.713 176.094 0.146 0.000 1.043 568 V CA -0.647 61.739 62.300 0.142 0.000 0.915 568 V CB 1.108 32.953 31.823 0.036 0.000 0.988 568 V HN 0.390 nan 8.190 nan 0.000 0.466 569 K N 6.574 127.070 120.400 0.161 0.000 2.412 569 K HA 0.222 4.540 4.320 -0.003 0.000 0.284 569 K C -0.578 176.114 176.600 0.153 0.000 1.046 569 K CA 0.135 56.504 56.287 0.137 0.000 0.999 569 K CB 0.128 32.702 32.500 0.123 0.000 0.941 569 K HN 0.461 nan 8.250 nan 0.000 0.474 570 I N 4.491 125.153 120.570 0.154 0.000 2.460 570 I HA 0.244 4.412 4.170 -0.003 0.000 0.298 570 I C 1.149 177.374 176.117 0.180 0.000 0.989 570 I CA -0.604 60.809 61.300 0.187 0.000 1.173 570 I CB 0.814 38.934 38.000 0.199 0.000 1.338 570 I HN 0.995 nan 8.210 nan 0.000 0.456 571 T N 0.037 114.726 114.554 0.225 0.000 3.422 571 T HA 0.028 4.376 4.350 -0.003 0.000 0.192 571 T C 1.161 175.987 174.700 0.209 0.000 0.857 571 T CA 0.805 63.034 62.100 0.215 0.000 1.400 571 T CB -0.007 69.018 68.868 0.262 0.000 1.864 571 T HN 0.524 nan 8.240 nan 0.000 0.415 572 T N -0.107 114.615 114.554 0.280 0.000 3.040 572 T HA 0.467 4.815 4.350 -0.003 0.000 0.266 572 T C -0.547 174.308 174.700 0.258 0.000 1.005 572 T CA -0.445 61.798 62.100 0.239 0.000 0.906 572 T CB -0.314 68.685 68.868 0.218 0.000 1.082 572 T HN 0.232 nan 8.240 nan 0.000 0.531 573 L N 4.108 125.507 121.223 0.293 0.000 2.343 573 L HA 0.611 4.949 4.340 -0.003 0.000 0.278 573 L C -2.532 174.594 176.870 0.426 0.000 0.996 573 L CA -2.255 52.772 54.840 0.311 0.000 0.831 573 L CB 1.909 44.090 42.059 0.203 0.000 1.232 573 L HN -0.098 nan 8.230 nan 0.000 0.413 574 P HA 0.277 nan 4.420 nan 0.000 0.276 574 P C -2.412 174.869 177.300 -0.032 0.000 1.235 574 P CA -1.583 61.617 63.100 0.167 0.000 0.772 574 P CB 0.649 32.388 31.700 0.065 0.000 0.871 575 P HA -0.096 nan 4.420 nan 0.000 0.229 575 P C -0.690 176.100 177.300 -0.851 0.000 1.150 575 P CA 1.097 63.561 63.100 -1.061 0.000 0.765 575 P CB -0.169 31.292 31.700 -0.399 0.000 0.783 576 A N 0.000 122.545 122.820 -0.458 0.000 2.254 576 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 576 A CA 0.000 51.855 52.037 -0.303 0.000 0.836 576 A CB 0.000 18.910 19.000 -0.149 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486