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 3ps6_1_A DATA FIRST_RESID 144 DATA SEQUENCE SEESQAFQRQ LTALIGYDVT DVSNVHDDEL EFTRRGLVTP RMAEVASRDP DATA SEQUENCE KLYAMHPWVT SKPLPEYLWK KIANNCIFIV IHRSTTSQTI KVSPDDTPGA DATA SEQUENCE ILQSFFTKMX XXXXXXXXXX XXXXXDFVLR VCGRDEYLVG ETPIKNFQWV DATA SEQUENCE RHCLKNGEEI HVVLDTPPDP ALDEVRKEXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXVS LWDCDRKFRV KIRGIDIPVL XXXXXLTVFV EANIQHGQQV DATA SEQUENCE LCQRRTSPKP FTEEVLWNVW LEFSIKIKDL PKGALLNLQI YCXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXVQLLYY VNLLLIDHRF LLRRGEYVLH MWQISGXXXX DATA SEQUENCE XXXFNADKLT SATNPDKENS MSISILLDNY XXPIALPXXX XXXXXXXXXX DATA SEQUENCE RAEMPNQLRK QLEAIIATDP LNPLTAEDKE LLWHFRYESL KHPKAYPKLF DATA SEQUENCE SSVKWGQQEI VAKTYQLLAR REVWDQSALD VGLTMQLLDC NFSDENVRAI DATA SEQUENCE AVQKLESLED DDVLHYLLQL VQAVKFEPYH DSALARFLLK RGLRNKRIGH DATA SEQUENCE FLFWFLRSEI AQSRHYQQRF AVILEAYLRG CGTAMLHDFT QQVQVIEMLQ DATA SEQUENCE KVTLDIKSLS XXXXXXSSQV ISQLKQKLEN LQNSQLPESF RVPYDPGLKA DATA SEQUENCE GALAIEKCKV MASKKKPLWL EFKCADPTAL SNETIGIIFK HGDDLRQDML DATA SEQUENCE ILQILRIMES IWETESLDLC LLPYGCISTG DKIGMIEIVK DATTIAKIQQ DATA SEQUENCE STVGNTGAFK DEVLNHWLKE KSPTEEKFQA AVERFVYSCA GYCVATFVLG DATA SEQUENCE IGDRHNDNIM ITETGNLFHI DFGHILGNYX XXXXXXXERV PFVLTPDFLF DATA SEQUENCE VMGTSGKKTS PHFQKFQDIC VKAYLALRHH TNLLIILFSM MLMTGMPQLT DATA SEQUENCE SKEDIEYIRD ALTVGKNEED AKKYFLDQIE VCRDKGWTVQ FNWFLHLVLG 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 144 S HA 0.000 nan 4.470 nan 0.000 0.327 144 S C 0.000 174.610 174.600 0.016 0.000 1.055 144 S CA 0.000 58.205 58.200 0.009 0.000 1.107 144 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 145 E N 0.253 120.462 120.200 0.015 0.000 2.399 145 E HA 0.226 4.592 4.350 0.027 0.000 0.206 145 E C 1.295 177.913 176.600 0.030 0.000 0.812 145 E CA 0.161 56.573 56.400 0.021 0.000 1.138 145 E CB -0.092 29.616 29.700 0.014 0.000 1.140 145 E HN 0.519 nan 8.360 nan 0.000 0.536 146 E N 1.119 121.329 120.200 0.016 0.000 2.160 146 E HA -0.117 4.249 4.350 0.027 0.000 0.195 146 E C 1.800 178.428 176.600 0.048 0.000 0.991 146 E CA 1.364 57.772 56.400 0.012 0.000 0.810 146 E CB -0.002 29.680 29.700 -0.030 0.000 0.742 146 E HN 0.231 nan 8.360 nan 0.000 0.466 147 S N -0.773 114.960 115.700 0.056 0.000 2.562 147 S HA -0.007 4.480 4.470 0.027 0.000 0.221 147 S C 1.628 176.324 174.600 0.160 0.000 0.975 147 S CA 0.259 58.542 58.200 0.138 0.000 0.918 147 S CB 0.075 63.328 63.200 0.089 0.000 0.772 147 S HN 0.211 nan 8.310 nan 0.000 0.531 148 Q N 0.335 120.195 119.800 0.101 0.000 2.339 148 Q HA 0.367 4.724 4.340 0.027 0.000 0.205 148 Q C 2.305 178.349 176.000 0.073 0.000 0.925 148 Q CA 0.766 56.611 55.803 0.071 0.000 0.898 148 Q CB -0.141 28.622 28.738 0.042 0.000 1.013 148 Q HN 0.706 nan 8.270 nan 0.000 0.504 149 A N 0.268 123.145 122.820 0.094 0.000 1.975 149 A HA -0.090 4.247 4.320 0.027 0.000 0.215 149 A C 1.709 179.379 177.584 0.143 0.000 1.170 149 A CA 0.413 52.505 52.037 0.092 0.000 0.656 149 A CB -0.417 18.631 19.000 0.080 0.000 0.821 149 A HN 0.368 nan 8.150 nan 0.000 0.449 150 F N 0.996 120.948 119.950 0.004 0.000 2.102 150 F HA -0.179 4.364 4.527 0.027 0.000 0.298 150 F C 2.305 178.109 175.800 0.007 0.000 1.105 150 F CA 2.128 60.132 58.000 0.006 0.000 1.239 150 F CB -0.539 38.462 39.000 0.002 0.000 0.991 150 F HN 0.323 nan 8.300 nan 0.000 0.474 151 Q N 0.638 120.406 119.800 -0.054 0.000 2.170 151 Q HA -0.182 4.174 4.340 0.027 0.000 0.203 151 Q C 2.255 178.184 176.000 -0.119 0.000 0.976 151 Q CA 1.708 57.423 55.803 -0.147 0.000 0.858 151 Q CB -0.309 28.398 28.738 -0.052 0.000 0.907 151 Q HN 0.378 nan 8.270 nan 0.000 0.433 152 R N -0.609 119.860 120.500 -0.052 0.000 2.115 152 R HA -0.087 4.269 4.340 0.027 0.000 0.230 152 R C 2.288 178.562 176.300 -0.044 0.000 1.111 152 R CA 1.399 57.476 56.100 -0.038 0.000 0.976 152 R CB -0.139 30.157 30.300 -0.006 0.000 0.870 152 R HN 0.443 nan 8.270 nan 0.000 0.445 153 Q N 0.751 120.523 119.800 -0.047 0.000 1.990 153 Q HA -0.161 4.195 4.340 0.027 0.000 0.200 153 Q C 2.010 177.960 176.000 -0.084 0.000 0.980 153 Q CA 1.474 57.257 55.803 -0.033 0.000 0.832 153 Q CB -0.055 28.699 28.738 0.026 0.000 0.897 153 Q HN 0.318 nan 8.270 nan 0.000 0.427 154 L N 0.230 121.330 121.223 -0.205 0.000 2.013 154 L HA -0.251 4.105 4.340 0.027 0.000 0.212 154 L C 2.580 179.390 176.870 -0.100 0.000 1.073 154 L CA 1.826 56.550 54.840 -0.193 0.000 0.753 154 L CB -1.039 40.826 42.059 -0.322 0.000 0.890 154 L HN 0.324 nan 8.230 nan 0.000 0.432 155 T N -0.006 114.490 114.554 -0.096 0.000 2.720 155 T HA -0.208 4.158 4.350 0.027 0.000 0.268 155 T C 1.918 176.595 174.700 -0.038 0.000 1.037 155 T CA 1.533 63.593 62.100 -0.067 0.000 1.144 155 T CB -0.278 68.541 68.868 -0.082 0.000 0.864 155 T HN 0.490 nan 8.240 nan 0.000 0.444 156 A N 0.257 123.060 122.820 -0.029 0.000 2.066 156 A HA 0.221 4.557 4.320 0.027 0.000 0.218 156 A C 2.224 179.816 177.584 0.013 0.000 1.157 156 A CA 0.704 52.738 52.037 -0.004 0.000 0.670 156 A CB -0.516 18.486 19.000 0.003 0.000 0.804 156 A HN 0.458 nan 8.150 nan 0.000 0.453 157 L N -0.987 120.243 121.223 0.011 0.000 2.102 157 L HA 0.002 4.358 4.340 0.027 0.000 0.202 157 L C 2.331 179.202 176.870 0.002 0.000 1.076 157 L CA 0.853 55.726 54.840 0.055 0.000 0.761 157 L CB -0.261 41.842 42.059 0.073 0.000 0.921 157 L HN 0.341 nan 8.230 nan 0.000 0.444 158 I N -0.428 120.120 120.570 -0.036 0.000 2.315 158 I HA -0.163 4.023 4.170 0.027 0.000 0.248 158 I C 1.623 177.708 176.117 -0.053 0.000 1.117 158 I CA 1.233 62.485 61.300 -0.080 0.000 1.404 158 I CB -0.431 37.561 38.000 -0.014 0.000 1.071 158 I HN 0.491 nan 8.210 nan 0.000 0.419 159 G N -0.159 108.641 108.800 0.001 0.000 2.141 159 G HA2 -0.322 3.654 3.960 0.027 0.000 0.242 159 G HA3 -0.322 3.654 3.960 0.027 0.000 0.242 159 G C -0.055 174.914 174.900 0.115 0.000 0.982 159 G CA 0.088 45.210 45.100 0.037 0.000 0.662 159 G HN 0.380 nan 8.290 nan 0.000 0.527 160 Y N 0.103 120.381 120.300 -0.037 0.000 2.482 160 Y HA 0.516 5.083 4.550 0.027 0.000 0.334 160 Y C -1.260 174.620 175.900 -0.033 0.000 1.091 160 Y CA -1.166 56.919 58.100 -0.026 0.000 1.027 160 Y CB 1.973 40.422 38.460 -0.018 0.000 1.306 160 Y HN 0.073 nan 8.280 nan 0.000 0.446 161 D N 4.703 124.682 120.400 -0.703 0.000 2.393 161 D HA 0.205 4.861 4.640 0.027 0.000 0.232 161 D C 0.969 176.986 176.300 -0.471 0.000 1.192 161 D CA 0.114 53.831 54.000 -0.472 0.000 0.882 161 D CB 1.032 41.606 40.800 -0.378 0.000 1.038 161 D HN 0.485 nan 8.370 nan 0.000 0.499 162 V N 2.273 122.132 119.914 -0.091 0.000 2.244 162 V HA -0.182 3.955 4.120 0.027 0.000 0.244 162 V C 2.234 178.336 176.094 0.013 0.000 1.042 162 V CA 2.116 64.464 62.300 0.079 0.000 1.006 162 V CB -1.900 29.980 31.823 0.095 0.000 0.641 162 V HN 0.654 nan 8.190 nan 0.000 0.446 163 T N -0.936 113.604 114.554 -0.024 0.000 2.751 163 T HA -0.313 4.053 4.350 0.027 0.000 0.268 163 T C 1.033 175.719 174.700 -0.023 0.000 1.045 163 T CA 1.576 63.665 62.100 -0.019 0.000 1.142 163 T CB -1.283 67.567 68.868 -0.029 0.000 0.851 163 T HN 0.830 nan 8.240 nan 0.000 0.474 164 D N 0.786 121.150 120.400 -0.059 0.000 2.515 164 D HA -0.030 4.626 4.640 0.027 0.000 0.232 164 D C 0.326 176.619 176.300 -0.012 0.000 1.157 164 D CA 0.385 54.348 54.000 -0.063 0.000 0.871 164 D CB 0.799 41.513 40.800 -0.143 0.000 1.200 164 D HN 0.229 nan 8.370 nan 0.000 0.466 165 V N 2.273 122.184 119.914 -0.005 0.000 3.261 165 V HA -0.053 4.083 4.120 0.027 0.000 0.330 165 V C 1.748 177.850 176.094 0.013 0.000 1.461 165 V CA 0.294 62.605 62.300 0.017 0.000 1.127 165 V CB 0.006 31.845 31.823 0.026 0.000 1.044 165 V HN 0.654 nan 8.190 nan 0.000 0.499 166 S N 0.100 115.798 115.700 -0.003 0.000 2.453 166 S HA -0.041 4.445 4.470 0.027 0.000 0.231 166 S C 1.162 175.755 174.600 -0.013 0.000 1.005 166 S CA 1.571 59.764 58.200 -0.013 0.000 0.949 166 S CB -0.258 62.923 63.200 -0.031 0.000 0.774 166 S HN 0.543 nan 8.310 nan 0.000 0.510 167 N N 0.354 119.056 118.700 0.002 0.000 2.553 167 N HA 0.420 5.176 4.740 0.027 0.000 0.298 167 N C -1.441 174.058 175.510 -0.019 0.000 1.596 167 N CA -0.202 52.840 53.050 -0.013 0.000 0.910 167 N CB 1.139 39.619 38.487 -0.011 0.000 1.336 167 N HN 0.170 nan 8.380 nan 0.000 0.497 168 V N 0.811 120.725 119.914 -0.001 0.000 2.876 168 V HA 0.341 4.477 4.120 0.027 0.000 0.312 168 V C 0.124 176.261 176.094 0.071 0.000 1.085 168 V CA -0.699 61.595 62.300 -0.011 0.000 0.945 168 V CB 1.998 33.839 31.823 0.031 0.000 1.017 168 V HN 0.583 nan 8.190 nan 0.000 0.428 169 H N 1.324 120.467 119.070 0.123 0.000 2.662 169 H HA 0.483 5.055 4.556 0.027 0.000 0.268 169 H C -0.742 174.692 175.328 0.177 0.000 1.152 169 H CA -0.343 55.794 56.048 0.147 0.000 1.072 169 H CB 0.879 30.774 29.762 0.220 0.000 1.660 169 H HN 0.682 nan 8.280 nan 0.000 0.584 170 D N 0.739 121.366 120.400 0.378 0.000 2.755 170 D HA -0.100 4.557 4.640 0.027 0.000 0.277 170 D C -0.633 175.806 176.300 0.233 0.000 1.261 170 D CA -0.486 53.711 54.000 0.328 0.000 0.759 170 D CB 0.586 41.653 40.800 0.445 0.000 1.279 170 D HN 0.164 nan 8.370 nan 0.000 0.420 171 D N -0.592 119.960 120.400 0.252 0.000 2.413 171 D HA -0.008 4.648 4.640 0.027 0.000 0.237 171 D C 0.792 177.171 176.300 0.132 0.000 1.171 171 D CA -0.103 54.028 54.000 0.218 0.000 0.839 171 D CB 0.304 41.263 40.800 0.264 0.000 0.950 171 D HN 0.551 nan 8.370 nan 0.000 0.499 172 E N 0.290 120.427 120.200 -0.105 0.000 2.051 172 E HA -0.127 4.239 4.350 0.027 0.000 0.192 172 E C 1.927 178.560 176.600 0.054 0.000 0.991 172 E CA 0.642 56.777 56.400 -0.441 0.000 0.799 172 E CB 0.102 29.606 29.700 -0.327 0.000 0.748 172 E HN 0.340 nan 8.360 nan 0.000 0.449 173 L N 0.961 122.233 121.223 0.083 0.000 2.017 173 L HA -0.195 4.161 4.340 0.027 0.000 0.208 173 L C 2.582 179.485 176.870 0.054 0.000 1.073 173 L CA 0.995 55.828 54.840 -0.010 0.000 0.745 173 L CB -0.337 41.656 42.059 -0.111 0.000 0.894 173 L HN 0.079 nan 8.230 nan 0.000 0.432 174 E N -0.282 119.972 120.200 0.089 0.000 2.077 174 E HA -0.244 4.122 4.350 0.027 0.000 0.193 174 E C 2.021 178.699 176.600 0.130 0.000 0.989 174 E CA 1.279 57.738 56.400 0.099 0.000 0.800 174 E CB -0.430 29.336 29.700 0.110 0.000 0.746 174 E HN 0.386 nan 8.360 nan 0.000 0.452 175 F N 1.929 121.905 119.950 0.042 0.000 2.126 175 F HA -0.229 4.314 4.527 0.027 0.000 0.299 175 F C 2.297 178.135 175.800 0.063 0.000 1.096 175 F CA 1.876 59.920 58.000 0.074 0.000 1.255 175 F CB -0.228 38.837 39.000 0.109 0.000 0.997 175 F HN -0.044 nan 8.300 nan 0.000 0.479 176 T N 0.495 115.181 114.554 0.220 0.000 2.737 176 T HA -0.131 4.235 4.350 0.027 0.000 0.265 176 T C 2.005 176.731 174.700 0.044 0.000 1.038 176 T CA 1.347 63.534 62.100 0.144 0.000 1.144 176 T CB -0.286 68.696 68.868 0.191 0.000 0.866 176 T HN 0.233 nan 8.240 nan 0.000 0.434 177 R N 0.947 121.468 120.500 0.034 0.000 2.096 177 R HA -0.086 4.270 4.340 0.027 0.000 0.240 177 R C 2.757 179.051 176.300 -0.010 0.000 1.139 177 R CA 1.499 57.608 56.100 0.015 0.000 0.952 177 R CB -0.270 30.041 30.300 0.018 0.000 0.854 177 R HN 0.360 nan 8.270 nan 0.000 0.436 178 R N -0.340 120.135 120.500 -0.043 0.000 2.070 178 R HA -0.093 4.263 4.340 0.027 0.000 0.233 178 R C 2.522 178.754 176.300 -0.114 0.000 1.137 178 R CA 1.453 57.502 56.100 -0.085 0.000 0.945 178 R CB -0.726 29.490 30.300 -0.140 0.000 0.845 178 R HN 0.367 nan 8.270 nan 0.000 0.430 179 G N 1.084 109.780 108.800 -0.174 0.000 2.469 179 G HA2 -0.250 3.726 3.960 0.027 0.000 0.220 179 G HA3 -0.250 3.726 3.960 0.027 0.000 0.220 179 G C 1.375 176.251 174.900 -0.041 0.000 1.136 179 G CA 0.729 45.744 45.100 -0.142 0.000 0.759 179 G HN 0.165 nan 8.290 nan 0.000 0.562 180 L N 0.446 121.664 121.223 -0.008 0.000 2.291 180 L HA -0.025 4.331 4.340 0.027 0.000 0.214 180 L C 2.869 179.747 176.870 0.013 0.000 1.120 180 L CA -0.089 54.764 54.840 0.021 0.000 0.799 180 L CB -0.264 41.820 42.059 0.041 0.000 0.925 180 L HN 0.075 nan 8.230 nan 0.000 0.446 181 V N -0.181 119.731 119.914 -0.003 0.000 2.282 181 V HA -0.331 3.805 4.120 0.027 0.000 0.249 181 V C 2.528 178.620 176.094 -0.003 0.000 1.057 181 V CA 2.499 64.797 62.300 -0.003 0.000 1.032 181 V CB -1.051 30.766 31.823 -0.010 0.000 0.645 181 V HN 0.522 nan 8.190 nan 0.000 0.447 182 T N 1.008 115.558 114.554 -0.007 0.000 2.614 182 T HA -0.105 4.261 4.350 0.027 0.000 0.263 182 T C 0.099 174.803 174.700 0.007 0.000 1.055 182 T CA 1.945 64.044 62.100 -0.003 0.000 1.162 182 T CB -1.673 67.192 68.868 -0.005 0.000 0.863 182 T HN 0.503 nan 8.240 nan 0.000 0.414 183 P HA -0.103 nan 4.420 nan 0.000 0.219 183 P C 1.453 178.764 177.300 0.018 0.000 1.146 183 P CA 1.206 64.321 63.100 0.026 0.000 0.808 183 P CB -0.031 31.696 31.700 0.044 0.000 0.779 184 R N 0.219 120.728 120.500 0.015 0.000 2.070 184 R HA -0.040 4.317 4.340 0.027 0.000 0.227 184 R C 2.460 178.750 176.300 -0.016 0.000 1.147 184 R CA 1.867 57.971 56.100 0.005 0.000 0.924 184 R CB -0.801 29.504 30.300 0.009 0.000 0.827 184 R HN 0.031 nan 8.270 nan 0.000 0.431 185 M N 0.463 120.054 119.600 -0.015 0.000 2.202 185 M HA -0.124 4.372 4.480 0.027 0.000 0.262 185 M C 2.478 178.763 176.300 -0.026 0.000 1.063 185 M CA 1.711 56.997 55.300 -0.024 0.000 1.097 185 M CB -0.289 32.300 32.600 -0.018 0.000 1.382 185 M HN 0.421 nan 8.290 nan 0.000 0.413 186 A N 0.189 123.001 122.820 -0.014 0.000 1.883 186 A HA -0.220 4.116 4.320 0.027 0.000 0.217 186 A C 1.986 179.558 177.584 -0.019 0.000 1.186 186 A CA 2.195 54.226 52.037 -0.010 0.000 0.624 186 A CB -0.641 18.361 19.000 0.003 0.000 0.822 186 A HN 0.434 nan 8.150 nan 0.000 0.444 187 E N -0.216 119.970 120.200 -0.022 0.000 2.072 187 E HA -0.085 4.281 4.350 0.027 0.000 0.190 187 E C 1.867 178.420 176.600 -0.078 0.000 0.982 187 E CA 1.350 57.729 56.400 -0.035 0.000 0.803 187 E CB -0.413 29.273 29.700 -0.022 0.000 0.755 187 E HN 0.234 nan 8.360 nan 0.000 0.453 188 V N 1.095 120.952 119.914 -0.095 0.000 2.255 188 V HA -0.318 3.818 4.120 0.027 0.000 0.247 188 V C 2.419 178.441 176.094 -0.120 0.000 1.051 188 V CA 2.074 64.287 62.300 -0.144 0.000 1.018 188 V CB -1.136 30.616 31.823 -0.119 0.000 0.641 188 V HN 0.457 nan 8.190 nan 0.000 0.445 189 A N -1.070 121.705 122.820 -0.075 0.000 1.978 189 A HA -0.227 4.109 4.320 0.027 0.000 0.220 189 A C 2.461 180.017 177.584 -0.047 0.000 1.170 189 A CA 2.258 54.262 52.037 -0.054 0.000 0.636 189 A CB -0.589 18.390 19.000 -0.036 0.000 0.810 189 A HN 0.482 nan 8.150 nan 0.000 0.448 190 S N -0.774 114.899 115.700 -0.045 0.000 2.528 190 S HA 0.023 4.509 4.470 0.027 0.000 0.219 190 S C 1.002 175.582 174.600 -0.034 0.000 0.985 190 S CA -0.109 58.073 58.200 -0.029 0.000 0.914 190 S CB -0.271 62.921 63.200 -0.014 0.000 0.776 190 S HN 0.710 nan 8.310 nan 0.000 0.526 191 R N 1.419 121.877 120.500 -0.071 0.000 2.308 191 R HA 0.293 4.649 4.340 0.027 0.000 0.305 191 R C -0.742 175.534 176.300 -0.040 0.000 1.053 191 R CA -0.574 55.484 56.100 -0.070 0.000 0.957 191 R CB 0.338 30.531 30.300 -0.179 0.000 1.022 191 R HN 0.009 nan 8.270 nan 0.000 0.461 192 D N 4.449 124.860 120.400 0.018 0.000 2.412 192 D HA 0.032 4.688 4.640 0.027 0.000 0.257 192 D C -1.511 174.829 176.300 0.067 0.000 1.217 192 D CA -1.998 52.024 54.000 0.036 0.000 0.897 192 D CB 1.430 42.261 40.800 0.051 0.000 1.132 192 D HN 0.390 nan 8.370 nan 0.000 0.493 193 P HA -0.095 nan 4.420 nan 0.000 0.218 193 P C 1.016 178.376 177.300 0.100 0.000 1.149 193 P CA 1.225 64.370 63.100 0.075 0.000 0.817 193 P CB 0.386 32.103 31.700 0.028 0.000 0.785 194 K N -0.427 120.006 120.400 0.054 0.000 1.991 194 K HA -0.011 4.325 4.320 0.027 0.000 0.207 194 K C 2.093 178.707 176.600 0.023 0.000 1.045 194 K CA 1.095 57.392 56.287 0.017 0.000 0.937 194 K CB -0.877 31.623 32.500 0.001 0.000 0.720 194 K HN 0.084 nan 8.250 nan 0.000 0.438 195 L N 0.140 121.396 121.223 0.055 0.000 2.127 195 L HA -0.214 4.142 4.340 0.027 0.000 0.211 195 L C 2.456 179.394 176.870 0.114 0.000 1.089 195 L CA 1.086 55.967 54.840 0.068 0.000 0.757 195 L CB -0.332 41.773 42.059 0.077 0.000 0.899 195 L HN 0.247 nan 8.230 nan 0.000 0.434 196 Y N 0.211 120.528 120.300 0.028 0.000 2.314 196 Y HA -0.135 4.431 4.550 0.027 0.000 0.293 196 Y C 2.394 178.330 175.900 0.060 0.000 1.129 196 Y CA 0.965 59.094 58.100 0.048 0.000 1.201 196 Y CB -0.109 38.366 38.460 0.025 0.000 0.999 196 Y HN 0.082 nan 8.280 nan 0.000 0.541 197 A N 0.041 122.865 122.820 0.007 0.000 1.930 197 A HA -0.118 4.219 4.320 0.027 0.000 0.217 197 A C 2.063 179.600 177.584 -0.078 0.000 1.175 197 A CA 1.844 53.835 52.037 -0.076 0.000 0.627 197 A CB -0.569 18.399 19.000 -0.053 0.000 0.815 197 A HN 0.547 nan 8.150 nan 0.000 0.443 198 M N -0.007 119.503 119.600 -0.149 0.000 2.441 198 M HA 0.063 4.559 4.480 0.027 0.000 0.244 198 M C 0.120 176.235 176.300 -0.308 0.000 1.122 198 M CA 0.196 55.288 55.300 -0.347 0.000 1.041 198 M CB -0.027 32.282 32.600 -0.486 0.000 1.438 198 M HN 0.707 nan 8.290 nan 0.000 0.484 199 H N -0.270 118.765 119.070 -0.060 0.000 2.166 199 H HA -0.090 4.482 4.556 0.027 0.000 0.323 199 H C -2.548 172.844 175.328 0.106 0.000 0.936 199 H CA -0.265 55.773 56.048 -0.017 0.000 1.073 199 H CB -2.186 27.509 29.762 -0.111 0.000 1.592 199 H HN 0.211 nan 8.280 nan 0.000 0.346 200 P HA -0.100 nan 4.420 nan 0.000 0.264 200 P C 0.153 177.580 177.300 0.211 0.000 1.183 200 P CA 0.142 63.325 63.100 0.139 0.000 0.763 200 P CB 0.463 32.266 31.700 0.171 0.000 0.807 201 W N 6.109 127.436 121.300 0.045 0.000 2.120 201 W HA 0.315 4.991 4.660 0.026 0.000 0.371 201 W C -0.968 175.518 176.519 -0.054 0.000 0.865 201 W CA -0.754 56.613 57.345 0.036 0.000 1.529 201 W CB -0.393 29.124 29.460 0.095 0.000 1.623 201 W HN 0.068 nan 8.180 nan 0.000 0.325 202 V N 2.660 122.556 119.914 -0.030 0.000 3.463 202 V HA 0.787 4.924 4.120 0.027 0.000 0.302 202 V C 0.227 176.216 176.094 -0.175 0.000 1.097 202 V CA -0.830 61.291 62.300 -0.298 0.000 1.003 202 V CB 1.199 32.777 31.823 -0.407 0.000 1.229 202 V HN 0.237 nan 8.190 nan 0.000 0.444 203 T N -1.241 113.206 114.554 -0.178 0.000 3.225 203 T HA 0.297 4.663 4.350 0.027 0.000 0.356 203 T C 0.011 174.666 174.700 -0.075 0.000 1.460 203 T CA -0.006 62.037 62.100 -0.095 0.000 1.126 203 T CB 1.675 70.475 68.868 -0.113 0.000 1.321 203 T HN 0.611 nan 8.240 nan 0.000 0.478 204 S N 2.432 118.115 115.700 -0.028 0.000 2.540 204 S HA 0.193 4.680 4.470 0.027 0.000 0.218 204 S C 0.536 175.134 174.600 -0.004 0.000 0.977 204 S CA -0.343 57.847 58.200 -0.016 0.000 0.918 204 S CB 0.090 63.289 63.200 -0.001 0.000 0.806 204 S HN 0.595 nan 8.310 nan 0.000 0.496 205 K N 3.391 123.788 120.400 -0.005 0.000 2.401 205 K HA 0.154 4.491 4.320 0.027 0.000 0.278 205 K C -2.723 173.874 176.600 -0.004 0.000 1.018 205 K CA -1.280 55.006 56.287 -0.001 0.000 0.981 205 K CB -0.429 32.071 32.500 0.000 0.000 0.933 205 K HN 0.084 nan 8.250 nan 0.000 0.477 206 P HA -0.063 nan 4.420 nan 0.000 0.264 206 P C 0.156 177.465 177.300 0.015 0.000 1.193 206 P CA -0.390 62.736 63.100 0.044 0.000 0.763 206 P CB 0.462 32.196 31.700 0.058 0.000 0.810 207 L N 6.210 127.440 121.223 0.012 0.000 2.667 207 L HA 0.027 4.383 4.340 0.027 0.000 0.278 207 L C -1.765 175.016 176.870 -0.149 0.000 1.217 207 L CA -0.757 53.982 54.840 -0.168 0.000 0.935 207 L CB -0.466 41.337 42.059 -0.428 0.000 1.193 207 L HN 0.316 nan 8.230 nan 0.000 0.493 208 P HA -0.048 nan 4.420 nan 0.000 0.271 208 P C 0.443 177.566 177.300 -0.295 0.000 1.233 208 P CA -0.038 62.809 63.100 -0.422 0.000 0.795 208 P CB 0.711 31.817 31.700 -0.990 0.000 0.936 209 E N 0.205 120.263 120.200 -0.236 0.000 2.047 209 E HA -0.209 4.157 4.350 0.027 0.000 0.191 209 E C 1.956 178.563 176.600 0.012 0.000 0.987 209 E CA 0.963 57.370 56.400 0.011 0.000 0.799 209 E CB -0.562 29.153 29.700 0.025 0.000 0.752 209 E HN 0.544 nan 8.360 nan 0.000 0.449 210 Y N -0.148 120.201 120.300 0.082 0.000 2.298 210 Y HA -0.149 4.417 4.550 0.027 0.000 0.287 210 Y C 1.692 177.612 175.900 0.032 0.000 1.164 210 Y CA 0.802 58.936 58.100 0.057 0.000 1.229 210 Y CB -0.689 37.794 38.460 0.039 0.000 0.977 210 Y HN 0.018 nan 8.280 nan 0.000 0.538 211 L N -2.365 118.859 121.223 0.002 0.000 2.446 211 L HA 0.034 4.390 4.340 0.027 0.000 0.219 211 L C 1.856 178.653 176.870 -0.122 0.000 1.116 211 L CA 0.383 55.188 54.840 -0.058 0.000 0.844 211 L CB -0.394 41.553 42.059 -0.186 0.000 0.970 211 L HN 0.291 nan 8.230 nan 0.000 0.457 212 W N 1.472 122.746 121.300 -0.044 0.000 2.481 212 W HA -0.101 4.575 4.660 0.026 0.000 0.293 212 W C 2.502 179.020 176.519 -0.001 0.000 1.201 212 W CA 0.422 57.749 57.345 -0.031 0.000 1.328 212 W CB 0.294 29.725 29.460 -0.050 0.000 1.112 212 W HN 0.039 nan 8.180 nan 0.000 0.546 213 K N 0.517 121.068 120.400 0.252 0.000 2.555 213 K HA -0.046 4.290 4.320 0.027 0.000 0.193 213 K C 1.244 177.924 176.600 0.133 0.000 1.032 213 K CA 1.015 57.403 56.287 0.168 0.000 1.004 213 K CB -0.136 32.451 32.500 0.144 0.000 0.804 213 K HN 0.023 nan 8.250 nan 0.000 0.496 214 K N 0.897 121.370 120.400 0.121 0.000 2.399 214 K HA 0.284 4.620 4.320 0.027 0.000 0.204 214 K C -0.363 176.276 176.600 0.064 0.000 1.023 214 K CA -0.136 56.198 56.287 0.079 0.000 1.127 214 K CB 0.395 32.931 32.500 0.060 0.000 0.856 214 K HN 0.188 nan 8.250 nan 0.000 0.514 215 I N -0.025 120.607 120.570 0.103 0.000 2.493 215 I HA 0.128 4.314 4.170 0.027 0.000 0.298 215 I C 1.094 177.282 176.117 0.118 0.000 0.998 215 I CA -0.390 60.975 61.300 0.108 0.000 1.137 215 I CB 1.981 40.072 38.000 0.152 0.000 1.310 215 I HN -0.022 nan 8.210 nan 0.000 0.445 216 A N 5.213 128.098 122.820 0.109 0.000 1.821 216 A HA -0.092 4.244 4.320 0.027 0.000 0.215 216 A C 0.384 178.026 177.584 0.096 0.000 1.214 216 A CA 1.631 53.731 52.037 0.106 0.000 0.608 216 A CB -0.337 18.742 19.000 0.131 0.000 0.862 216 A HN 0.862 nan 8.150 nan 0.000 0.448 217 N N -2.137 116.617 118.700 0.090 0.000 2.839 217 N HA 0.157 4.913 4.740 0.027 0.000 0.230 217 N C -0.564 174.983 175.510 0.062 0.000 1.388 217 N CA -0.095 52.998 53.050 0.072 0.000 0.747 217 N CB 0.029 38.549 38.487 0.055 0.000 1.411 217 N HN 0.303 nan 8.380 nan 0.000 0.556 218 N N -0.046 118.718 118.700 0.107 0.000 2.686 218 N HA -0.239 4.517 4.740 0.027 0.000 0.249 218 N C -1.279 174.249 175.510 0.030 0.000 1.082 218 N CA 1.031 54.149 53.050 0.113 0.000 0.725 218 N CB -0.902 37.625 38.487 0.067 0.000 1.009 218 N HN 0.745 nan 8.380 nan 0.000 0.545 219 C N 0.904 120.196 119.300 -0.014 0.000 2.397 219 C HA 0.737 5.213 4.460 0.027 0.000 0.325 219 C C -0.220 174.650 174.990 -0.200 0.000 1.201 219 C CA -0.845 58.076 59.018 -0.161 0.000 1.377 219 C CB 0.539 28.167 27.740 -0.186 0.000 2.038 219 C HN 0.253 nan 8.230 nan 0.000 0.457 220 I N 5.630 126.028 120.570 -0.286 0.000 2.466 220 I HA 0.440 4.626 4.170 0.027 0.000 0.289 220 I C -0.834 175.104 176.117 -0.299 0.000 1.026 220 I CA -0.301 60.884 61.300 -0.193 0.000 1.078 220 I CB 1.561 39.498 38.000 -0.104 0.000 1.249 220 I HN 0.511 nan 8.210 nan 0.000 0.429 221 F N 6.526 126.481 119.950 0.009 0.000 2.408 221 F HA 0.521 5.065 4.527 0.027 0.000 0.344 221 F C 0.242 176.051 175.800 0.015 0.000 1.112 221 F CA -0.384 57.625 58.000 0.016 0.000 1.096 221 F CB 1.000 40.014 39.000 0.024 0.000 1.129 221 F HN 0.129 nan 8.300 nan 0.000 0.486 222 I N 3.748 124.422 120.570 0.173 0.000 2.474 222 I HA 0.396 4.582 4.170 0.027 0.000 0.294 222 I C -0.991 175.181 176.117 0.092 0.000 1.005 222 I CA -1.142 60.217 61.300 0.098 0.000 1.113 222 I CB 1.968 39.982 38.000 0.023 0.000 1.289 222 I HN 0.145 nan 8.210 nan 0.000 0.436 223 V N 6.702 126.638 119.914 0.036 0.000 2.311 223 V HA 0.398 4.534 4.120 0.027 0.000 0.275 223 V C 0.228 176.354 176.094 0.053 0.000 1.022 223 V CA -0.453 61.827 62.300 -0.034 0.000 0.830 223 V CB 0.672 32.325 31.823 -0.284 0.000 1.012 223 V HN 0.465 nan 8.190 nan 0.000 0.452 224 I N 4.885 125.502 120.570 0.078 0.000 2.428 224 I HA 0.457 4.643 4.170 0.027 0.000 0.289 224 I C -0.193 176.061 176.117 0.229 0.000 1.019 224 I CA -0.238 61.106 61.300 0.074 0.000 1.351 224 I CB 0.856 38.748 38.000 -0.180 0.000 1.412 224 I HN 0.595 nan 8.210 nan 0.000 0.513 225 H N 4.345 123.359 119.070 -0.094 0.000 2.768 225 H HA 0.675 5.247 4.556 0.027 0.000 0.371 225 H C -0.244 175.060 175.328 -0.040 0.000 1.151 225 H CA -0.748 55.272 56.048 -0.047 0.000 1.165 225 H CB 1.821 31.561 29.762 -0.036 0.000 1.722 225 H HN 0.453 nan 8.280 nan 0.000 0.543 226 R N -0.166 120.387 120.500 0.089 0.000 2.876 226 R HA 0.303 4.659 4.340 0.027 0.000 0.096 226 R C 1.895 178.210 176.300 0.024 0.000 0.685 226 R CA 0.421 56.542 56.100 0.036 0.000 0.490 226 R CB -0.274 30.052 30.300 0.043 0.000 0.464 226 R HN 0.518 nan 8.270 nan 0.000 0.332 227 S N -1.169 114.535 115.700 0.006 0.000 2.422 227 S HA -0.242 4.244 4.470 0.027 0.000 0.248 227 S C 1.060 175.667 174.600 0.012 0.000 1.069 227 S CA 3.603 61.804 58.200 0.002 0.000 1.214 227 S CB -0.545 62.654 63.200 -0.002 0.000 1.122 227 S HN 0.771 nan 8.310 nan 0.000 0.432 228 T N -3.270 111.289 114.554 0.009 0.000 3.286 228 T HA 0.160 4.526 4.350 0.027 0.000 0.271 228 T C 0.355 175.038 174.700 -0.028 0.000 0.847 228 T CA 0.427 62.530 62.100 0.006 0.000 0.826 228 T CB -0.749 68.122 68.868 0.005 0.000 1.250 228 T HN 0.625 nan 8.240 nan 0.000 0.686 229 T N 1.973 116.511 114.554 -0.026 0.000 2.888 229 T HA 0.617 4.983 4.350 0.027 0.000 0.301 229 T C 0.382 175.026 174.700 -0.094 0.000 1.001 229 T CA -0.196 61.880 62.100 -0.040 0.000 1.147 229 T CB 1.109 69.975 68.868 -0.003 0.000 0.931 229 T HN 0.249 nan 8.240 nan 0.000 0.541 230 S N 1.938 117.542 115.700 -0.161 0.000 2.505 230 S HA 0.725 5.211 4.470 0.027 0.000 0.273 230 S C -0.290 174.256 174.600 -0.091 0.000 1.123 230 S CA -0.750 57.271 58.200 -0.299 0.000 1.006 230 S CB 0.405 63.351 63.200 -0.424 0.000 1.243 230 S HN 0.970 nan 8.310 nan 0.000 0.498 231 Q N 0.073 119.829 119.800 -0.073 0.000 3.294 231 Q HA 0.122 4.478 4.340 0.027 0.000 0.161 231 Q C -2.134 173.898 176.000 0.054 0.000 1.004 231 Q CA 0.157 55.986 55.803 0.045 0.000 1.175 231 Q CB -0.415 28.432 28.738 0.183 0.000 1.972 231 Q HN 0.603 nan 8.270 nan 0.000 0.581 232 T N 5.062 119.659 114.554 0.071 0.000 2.788 232 T HA 0.735 5.101 4.350 0.027 0.000 0.296 232 T C 0.224 175.051 174.700 0.212 0.000 1.009 232 T CA -0.378 61.792 62.100 0.116 0.000 0.949 232 T CB 0.031 68.929 68.868 0.049 0.000 0.946 232 T HN 0.449 nan 8.240 nan 0.000 0.453 233 I N 2.153 122.862 120.570 0.231 0.000 2.676 233 I HA 0.443 4.630 4.170 0.027 0.000 0.309 233 I C 0.386 176.611 176.117 0.180 0.000 0.990 233 I CA -1.295 60.130 61.300 0.209 0.000 1.168 233 I CB 1.399 39.487 38.000 0.147 0.000 1.343 233 I HN 0.289 nan 8.210 nan 0.000 0.482 234 K N 2.637 123.047 120.400 0.016 0.000 2.174 234 K HA 0.646 4.982 4.320 0.027 0.000 0.275 234 K C -1.120 175.350 176.600 -0.217 0.000 1.015 234 K CA -0.534 55.546 56.287 -0.344 0.000 0.933 234 K CB 1.753 34.125 32.500 -0.213 0.000 1.025 234 K HN 0.258 nan 8.250 nan 0.000 0.463 235 V N 1.330 121.076 119.914 -0.280 0.000 2.777 235 V HA 0.115 4.251 4.120 0.027 0.000 0.306 235 V C -0.670 175.348 176.094 -0.128 0.000 1.112 235 V CA -0.828 61.383 62.300 -0.147 0.000 0.917 235 V CB 2.108 33.867 31.823 -0.107 0.000 1.018 235 V HN 0.883 nan 8.190 nan 0.000 0.426 236 S N 5.626 121.288 115.700 -0.064 0.000 2.545 236 S HA 0.380 4.866 4.470 0.027 0.000 0.275 236 S C -1.548 173.058 174.600 0.010 0.000 1.299 236 S CA -1.125 57.064 58.200 -0.018 0.000 1.048 236 S CB 1.439 64.641 63.200 0.003 0.000 0.938 236 S HN 0.588 nan 8.310 nan 0.000 0.496 237 P HA -0.093 nan 4.420 nan 0.000 0.223 237 P C -0.028 177.316 177.300 0.074 0.000 1.140 237 P CA 1.173 64.303 63.100 0.050 0.000 0.783 237 P CB 0.010 31.796 31.700 0.143 0.000 0.759 238 D N -1.619 118.829 120.400 0.079 0.000 2.424 238 D HA 0.050 4.706 4.640 0.027 0.000 0.220 238 D C -0.288 176.041 176.300 0.049 0.000 1.150 238 D CA 0.077 54.120 54.000 0.071 0.000 0.831 238 D CB -0.032 40.811 40.800 0.073 0.000 0.981 238 D HN 0.147 nan 8.370 nan 0.000 0.500 239 D N 1.682 122.101 120.400 0.032 0.000 2.383 239 D HA -0.009 4.647 4.640 0.027 0.000 0.245 239 D C 0.528 176.844 176.300 0.026 0.000 1.263 239 D CA 0.296 54.305 54.000 0.015 0.000 0.936 239 D CB 0.487 41.279 40.800 -0.013 0.000 1.053 239 D HN -0.133 nan 8.370 nan 0.000 0.507 240 T N 2.321 116.898 114.554 0.038 0.000 2.946 240 T HA -0.004 4.362 4.350 0.027 0.000 0.312 240 T C -1.456 173.257 174.700 0.022 0.000 1.066 240 T CA -1.074 61.060 62.100 0.058 0.000 1.138 240 T CB 0.881 69.780 68.868 0.051 0.000 1.014 240 T HN 0.088 nan 8.240 nan 0.000 0.544 241 P HA 0.020 nan 4.420 nan 0.000 0.214 241 P C 1.641 178.910 177.300 -0.050 0.000 1.163 241 P CA 1.409 64.479 63.100 -0.050 0.000 0.883 241 P CB -0.330 31.335 31.700 -0.058 0.000 0.788 242 G N 0.163 108.953 108.800 -0.017 0.000 2.442 242 G HA2 -0.267 3.709 3.960 0.027 0.000 0.219 242 G HA3 -0.267 3.709 3.960 0.027 0.000 0.219 242 G C 1.584 176.446 174.900 -0.063 0.000 1.141 242 G CA 0.915 45.995 45.100 -0.033 0.000 0.763 242 G HN 0.366 nan 8.290 nan 0.000 0.554 243 A N 0.139 122.934 122.820 -0.042 0.000 2.209 243 A HA 0.275 4.611 4.320 0.027 0.000 0.212 243 A C 2.116 179.662 177.584 -0.063 0.000 1.158 243 A CA 0.441 52.451 52.037 -0.045 0.000 0.742 243 A CB -0.240 18.750 19.000 -0.017 0.000 0.790 243 A HN 0.415 nan 8.150 nan 0.000 0.472 244 I N -0.769 119.752 120.570 -0.082 0.000 3.428 244 I HA -0.049 4.137 4.170 0.027 0.000 0.286 244 I C 1.554 177.588 176.117 -0.138 0.000 1.287 244 I CA 0.487 61.734 61.300 -0.088 0.000 1.396 244 I CB 0.025 37.968 38.000 -0.095 0.000 1.062 244 I HN 0.284 nan 8.210 nan 0.000 0.471 245 L N 0.005 121.087 121.223 -0.235 0.000 2.477 245 L HA 0.015 4.371 4.340 0.027 0.000 0.220 245 L C 1.674 178.169 176.870 -0.625 0.000 1.106 245 L CA 0.302 54.827 54.840 -0.524 0.000 0.851 245 L CB -0.115 41.585 42.059 -0.598 0.000 0.994 245 L HN 0.227 nan 8.230 nan 0.000 0.462 246 Q N -0.969 118.672 119.800 -0.266 0.000 2.320 246 Q HA 0.097 4.453 4.340 0.027 0.000 0.201 246 Q C 1.283 177.266 176.000 -0.029 0.000 0.910 246 Q CA 0.269 56.002 55.803 -0.116 0.000 0.946 246 Q CB 0.593 29.297 28.738 -0.055 0.000 1.062 246 Q HN 0.126 nan 8.270 nan 0.000 0.503 247 S N -0.864 114.826 115.700 -0.016 0.000 2.843 247 S HA 0.339 4.825 4.470 0.027 0.000 0.249 247 S C -0.149 174.561 174.600 0.183 0.000 1.047 247 S CA -0.473 57.761 58.200 0.057 0.000 1.042 247 S CB -0.053 63.167 63.200 0.033 0.000 0.936 247 S HN 0.271 nan 8.310 nan 0.000 0.531 248 F N -0.403 119.528 119.950 -0.031 0.000 2.885 248 F HA 0.464 5.007 4.527 0.027 0.000 0.389 248 F C 0.246 176.291 175.800 0.409 0.000 0.904 248 F CA -0.208 57.858 58.000 0.109 0.000 1.047 248 F CB 0.537 39.567 39.000 0.049 0.000 1.113 248 F HN 0.330 nan 8.300 nan 0.000 0.579 249 F N -1.049 118.962 119.950 0.103 0.000 2.682 249 F HA 0.204 4.747 4.527 0.027 0.000 0.308 249 F C 1.290 177.096 175.800 0.010 0.000 1.093 249 F CA 0.407 58.430 58.000 0.039 0.000 1.244 249 F CB 0.539 39.593 39.000 0.091 0.000 1.052 249 F HN -0.167 nan 8.300 nan 0.000 0.573 250 T N -1.710 112.943 114.554 0.164 0.000 2.980 250 T HA 0.033 4.399 4.350 0.027 0.000 0.252 250 T C 1.707 176.437 174.700 0.050 0.000 0.962 250 T CA -0.064 62.087 62.100 0.086 0.000 0.932 250 T CB 0.340 69.250 68.868 0.070 0.000 1.188 250 T HN -0.134 nan 8.240 nan 0.000 0.500 251 K N 1.101 121.530 120.400 0.049 0.000 2.459 251 K HA 0.228 4.564 4.320 0.027 0.000 0.193 251 K C 0.425 177.008 176.600 -0.028 0.000 1.030 251 K CA 0.479 56.782 56.287 0.027 0.000 1.026 251 K CB 0.165 32.705 32.500 0.067 0.000 0.809 251 K HN 0.497 nan 8.250 nan 0.000 0.504 270 F N 0.599 120.623 119.950 0.122 0.000 2.639 270 F HA 0.724 5.267 4.527 0.027 0.000 0.339 270 F C 0.113 175.954 175.800 0.069 0.000 1.071 270 F CA -1.199 56.858 58.000 0.095 0.000 0.994 270 F CB 1.333 40.404 39.000 0.119 0.000 1.341 270 F HN -0.216 nan 8.300 nan 0.000 0.498 271 V N 1.630 121.708 119.914 0.274 0.000 3.074 271 V HA 0.565 4.701 4.120 0.027 0.000 0.314 271 V C -1.178 174.993 176.094 0.128 0.000 1.117 271 V CA -0.988 61.407 62.300 0.160 0.000 1.014 271 V CB 2.328 34.230 31.823 0.132 0.000 1.057 271 V HN 0.577 nan 8.190 nan 0.000 0.438 272 L N 5.415 126.677 121.223 0.066 0.000 2.315 272 L HA 0.536 4.892 4.340 0.027 0.000 0.278 272 L C 0.530 177.388 176.870 -0.021 0.000 1.088 272 L CA -0.150 54.681 54.840 -0.014 0.000 0.899 272 L CB 0.668 42.673 42.059 -0.091 0.000 1.277 272 L HN 0.665 nan 8.230 nan 0.000 0.431 273 R N 1.720 122.186 120.500 -0.056 0.000 2.580 273 R HA 0.581 4.937 4.340 0.027 0.000 0.267 273 R C -0.643 175.494 176.300 -0.272 0.000 1.125 273 R CA -0.533 55.407 56.100 -0.266 0.000 1.188 273 R CB 1.242 31.331 30.300 -0.352 0.000 1.155 273 R HN 0.283 nan 8.270 nan 0.000 0.586 274 V N 0.771 120.457 119.914 -0.381 0.000 2.713 274 V HA 0.229 4.365 4.120 0.027 0.000 0.307 274 V C -0.192 175.721 176.094 -0.301 0.000 1.052 274 V CA -0.878 61.214 62.300 -0.346 0.000 0.967 274 V CB 1.695 33.170 31.823 -0.579 0.000 1.019 274 V HN 0.844 nan 8.190 nan 0.000 0.459 275 C N 3.695 122.868 119.300 -0.212 0.000 2.619 275 C HA 0.521 4.997 4.460 0.027 0.000 0.389 275 C C 1.551 176.440 174.990 -0.168 0.000 1.314 275 C CA 0.845 59.765 59.018 -0.164 0.000 1.678 275 C CB -1.126 26.539 27.740 -0.124 0.000 2.398 275 C HN 1.328 nan 8.230 nan 0.000 0.582 276 G N 4.112 112.810 108.800 -0.169 0.000 2.241 276 G HA2 -0.190 3.786 3.960 0.027 0.000 0.244 276 G HA3 -0.190 3.786 3.960 0.027 0.000 0.244 276 G C 0.061 174.824 174.900 -0.227 0.000 0.998 276 G CA -0.009 44.994 45.100 -0.161 0.000 0.621 276 G HN 0.719 nan 8.290 nan 0.000 0.519 277 R N 0.220 120.525 120.500 -0.325 0.000 2.778 277 R HA 0.535 4.891 4.340 0.027 0.000 0.277 277 R C -1.204 174.859 176.300 -0.396 0.000 0.977 277 R CA -0.968 54.903 56.100 -0.383 0.000 0.950 277 R CB 1.222 31.191 30.300 -0.553 0.000 1.165 277 R HN -0.023 nan 8.270 nan 0.000 0.474 278 D N 1.902 122.104 120.400 -0.331 0.000 2.994 278 D HA 0.081 4.737 4.640 0.027 0.000 0.240 278 D C -0.777 175.340 176.300 -0.305 0.000 1.195 278 D CA 0.431 54.246 54.000 -0.308 0.000 0.957 278 D CB 0.352 41.072 40.800 -0.134 0.000 1.105 278 D HN 0.331 nan 8.370 nan 0.000 0.477 279 E N 0.223 120.119 120.200 -0.506 0.000 2.191 279 E HA 0.275 4.641 4.350 0.027 0.000 0.263 279 E C -1.208 175.088 176.600 -0.507 0.000 0.881 279 E CA -0.598 55.571 56.400 -0.385 0.000 0.757 279 E CB 1.032 30.533 29.700 -0.331 0.000 1.147 279 E HN 0.049 nan 8.360 nan 0.000 0.414 280 Y N 2.670 122.865 120.300 -0.176 0.000 2.457 280 Y HA 0.390 4.956 4.550 0.027 0.000 0.333 280 Y C 0.143 176.014 175.900 -0.049 0.000 1.119 280 Y CA -1.039 56.989 58.100 -0.121 0.000 1.143 280 Y CB 1.011 39.400 38.460 -0.119 0.000 1.230 280 Y HN 0.397 nan 8.280 nan 0.000 0.469 281 L N 3.238 124.475 121.223 0.022 0.000 3.073 281 L HA 0.255 4.611 4.340 0.027 0.000 0.242 281 L C -0.127 176.701 176.870 -0.070 0.000 1.317 281 L CA -0.253 54.433 54.840 -0.256 0.000 1.081 281 L CB -0.878 40.888 42.059 -0.489 0.000 1.456 281 L HN 0.431 nan 8.230 nan 0.000 0.525 282 V N -1.856 118.169 119.914 0.185 0.000 3.596 282 V HA 0.910 5.046 4.120 0.027 0.000 0.288 282 V C 1.035 177.296 176.094 0.279 0.000 1.021 282 V CA -0.405 61.996 62.300 0.169 0.000 1.020 282 V CB 0.232 32.110 31.823 0.093 0.000 1.243 282 V HN 0.542 nan 8.190 nan 0.000 0.433 283 G N 0.191 109.091 108.800 0.166 0.000 2.814 283 G HA2 -0.129 3.847 3.960 0.027 0.000 0.677 283 G HA3 -0.129 3.847 3.960 0.027 0.000 0.677 283 G C -0.447 174.545 174.900 0.154 0.000 1.429 283 G CA -0.295 44.889 45.100 0.142 0.000 0.868 283 G HN 0.851 nan 8.290 nan 0.000 0.553 284 E N 1.458 121.715 120.200 0.095 0.000 1.979 284 E HA 0.406 4.772 4.350 0.027 0.000 0.285 284 E C 0.253 176.895 176.600 0.070 0.000 1.188 284 E CA 0.391 56.839 56.400 0.079 0.000 1.214 284 E CB 0.076 29.806 29.700 0.049 0.000 1.210 284 E HN 0.607 nan 8.360 nan 0.000 0.477 285 T N 1.461 116.087 114.554 0.120 0.000 2.933 285 T HA 0.374 4.740 4.350 0.027 0.000 0.305 285 T C -2.698 172.112 174.700 0.183 0.000 1.092 285 T CA -1.684 60.459 62.100 0.072 0.000 1.008 285 T CB 2.330 71.118 68.868 -0.133 0.000 1.102 285 T HN 0.045 nan 8.240 nan 0.000 0.469 286 P HA 0.143 nan 4.420 nan 0.000 0.268 286 P C 1.088 178.536 177.300 0.247 0.000 1.204 286 P CA -0.464 62.721 63.100 0.142 0.000 0.768 286 P CB 0.334 32.086 31.700 0.087 0.000 0.842 287 I N 3.264 123.971 120.570 0.228 0.000 2.300 287 I HA -0.306 3.880 4.170 0.027 0.000 0.252 287 I C 2.077 178.328 176.117 0.224 0.000 1.119 287 I CA 1.871 63.312 61.300 0.235 0.000 1.384 287 I CB -1.744 36.256 38.000 0.000 0.000 1.062 287 I HN 0.346 nan 8.210 nan 0.000 0.426 288 K N 0.751 121.199 120.400 0.080 0.000 2.360 288 K HA -0.145 4.192 4.320 0.027 0.000 0.201 288 K C 1.241 177.830 176.600 -0.018 0.000 1.046 288 K CA 1.781 58.047 56.287 -0.035 0.000 0.940 288 K CB -0.543 31.886 32.500 -0.119 0.000 0.748 288 K HN 0.332 nan 8.250 nan 0.000 0.465 289 N N -0.164 118.563 118.700 0.045 0.000 2.398 289 N HA 0.100 4.856 4.740 0.027 0.000 0.188 289 N C -0.927 174.487 175.510 -0.161 0.000 1.122 289 N CA 0.171 53.179 53.050 -0.070 0.000 0.866 289 N CB 0.103 38.522 38.487 -0.112 0.000 0.970 289 N HN 0.093 nan 8.380 nan 0.000 0.462 290 F N 1.260 121.169 119.950 -0.068 0.000 2.410 290 F HA 0.223 4.767 4.527 0.027 0.000 0.348 290 F C 1.814 177.533 175.800 -0.134 0.000 1.106 290 F CA -0.617 57.347 58.000 -0.060 0.000 1.163 290 F CB 1.095 40.108 39.000 0.023 0.000 1.129 290 F HN -0.148 nan 8.300 nan 0.000 0.516 291 Q N 3.147 122.841 119.800 -0.176 0.000 2.077 291 Q HA -0.295 4.061 4.340 0.027 0.000 0.206 291 Q C 2.261 178.192 176.000 -0.115 0.000 0.989 291 Q CA 1.826 57.372 55.803 -0.429 0.000 0.853 291 Q CB -0.546 27.349 28.738 -1.405 0.000 0.907 291 Q HN 0.886 nan 8.270 nan 0.000 0.418 292 W N 1.146 122.398 121.300 -0.080 0.000 2.318 292 W HA -0.223 4.453 4.660 0.027 0.000 0.313 292 W C 1.894 178.456 176.519 0.073 0.000 1.221 292 W CA 1.521 58.900 57.345 0.057 0.000 1.266 292 W CB 0.008 29.522 29.460 0.089 0.000 1.150 292 W HN -0.030 nan 8.180 nan 0.000 0.496 293 V N 1.673 121.604 119.914 0.029 0.000 2.255 293 V HA -0.342 3.794 4.120 0.027 0.000 0.247 293 V C 2.507 178.504 176.094 -0.162 0.000 1.051 293 V CA 2.464 64.716 62.300 -0.080 0.000 1.018 293 V CB -1.004 30.829 31.823 0.017 0.000 0.641 293 V HN 0.179 nan 8.190 nan 0.000 0.445 294 R N -0.558 119.869 120.500 -0.123 0.000 2.127 294 R HA -0.216 4.140 4.340 0.027 0.000 0.238 294 R C 2.281 178.501 176.300 -0.134 0.000 1.134 294 R CA 1.854 57.873 56.100 -0.135 0.000 0.975 294 R CB -0.631 29.596 30.300 -0.122 0.000 0.865 294 R HN 0.705 nan 8.270 nan 0.000 0.447 295 H N 0.322 119.231 119.070 -0.268 0.000 2.363 295 H HA -0.039 4.533 4.556 0.027 0.000 0.301 295 H C 1.912 177.007 175.328 -0.388 0.000 1.074 295 H CA 1.623 57.483 56.048 -0.313 0.000 1.354 295 H CB -0.191 29.350 29.762 -0.368 0.000 1.397 295 H HN 0.129 nan 8.280 nan 0.000 0.516 296 C N 0.333 119.243 119.300 -0.650 0.000 2.442 296 C HA -0.090 4.386 4.460 0.027 0.000 0.279 296 C C 2.920 177.700 174.990 -0.351 0.000 1.237 296 C CA 1.023 59.701 59.018 -0.567 0.000 1.722 296 C CB -1.196 26.274 27.740 -0.450 0.000 2.056 296 C HN 0.563 nan 8.230 nan 0.000 0.469 297 L N 1.152 122.226 121.223 -0.248 0.000 2.013 297 L HA -0.234 4.122 4.340 0.027 0.000 0.212 297 L C 2.683 179.477 176.870 -0.127 0.000 1.073 297 L CA 1.897 56.643 54.840 -0.157 0.000 0.753 297 L CB -0.925 41.045 42.059 -0.148 0.000 0.890 297 L HN 0.417 nan 8.230 nan 0.000 0.432 298 K N 0.605 120.923 120.400 -0.137 0.000 2.001 298 K HA -0.201 4.135 4.320 0.027 0.000 0.214 298 K C 1.415 177.940 176.600 -0.126 0.000 1.050 298 K CA 1.962 58.198 56.287 -0.084 0.000 0.934 298 K CB -0.139 32.319 32.500 -0.069 0.000 0.718 298 K HN 0.373 nan 8.250 nan 0.000 0.443 299 N N 0.412 118.976 118.700 -0.226 0.000 2.370 299 N HA 0.022 4.778 4.740 0.027 0.000 0.198 299 N C -0.100 175.313 175.510 -0.161 0.000 1.156 299 N CA 0.850 53.781 53.050 -0.198 0.000 0.839 299 N CB 0.519 38.844 38.487 -0.270 0.000 0.989 299 N HN 0.460 nan 8.380 nan 0.000 0.468 300 G N 1.687 110.403 108.800 -0.141 0.000 2.342 300 G HA2 -0.257 3.719 3.960 0.027 0.000 0.267 300 G HA3 -0.257 3.719 3.960 0.027 0.000 0.267 300 G C -0.493 174.347 174.900 -0.100 0.000 0.922 300 G CA 0.293 45.336 45.100 -0.094 0.000 1.342 300 G HN 0.447 nan 8.290 nan 0.000 0.430 301 E N -0.047 120.077 120.200 -0.128 0.000 2.446 301 E HA 0.454 4.820 4.350 0.027 0.000 0.276 301 E C -0.107 176.457 176.600 -0.060 0.000 0.969 301 E CA -1.062 55.271 56.400 -0.111 0.000 0.800 301 E CB 1.408 30.999 29.700 -0.181 0.000 1.341 301 E HN 0.604 nan 8.360 nan 0.000 0.460 302 E N 1.306 121.505 120.200 -0.002 0.000 2.283 302 E HA 0.331 4.697 4.350 0.027 0.000 0.278 302 E C -0.405 176.319 176.600 0.208 0.000 1.027 302 E CA -0.398 56.079 56.400 0.129 0.000 0.843 302 E CB 0.831 30.686 29.700 0.259 0.000 1.062 302 E HN 0.331 nan 8.360 nan 0.000 0.401 303 I N 3.795 124.505 120.570 0.233 0.000 2.278 303 I HA 0.080 4.266 4.170 0.027 0.000 0.296 303 I C -0.463 175.846 176.117 0.320 0.000 1.121 303 I CA -0.480 60.961 61.300 0.235 0.000 1.267 303 I CB -0.449 37.617 38.000 0.110 0.000 1.447 303 I HN 0.413 nan 8.210 nan 0.000 0.509 304 H N 4.916 124.035 119.070 0.080 0.000 2.652 304 H HA 0.446 5.019 4.556 0.027 0.000 0.298 304 H C -0.377 174.863 175.328 -0.147 0.000 1.076 304 H CA -0.465 55.522 56.048 -0.102 0.000 1.360 304 H CB 1.101 30.722 29.762 -0.235 0.000 1.421 304 H HN 0.216 nan 8.280 nan 0.000 0.464 305 V N 4.080 123.920 119.914 -0.123 0.000 2.513 305 V HA 0.181 4.317 4.120 0.027 0.000 0.299 305 V C -0.089 175.920 176.094 -0.142 0.000 1.035 305 V CA -0.843 61.385 62.300 -0.121 0.000 0.889 305 V CB 2.351 34.116 31.823 -0.097 0.000 0.988 305 V HN 0.517 nan 8.190 nan 0.000 0.440 306 V N 7.092 126.928 119.914 -0.131 0.000 2.205 306 V HA 0.401 4.538 4.120 0.027 0.000 0.263 306 V C 0.182 176.231 176.094 -0.074 0.000 1.138 306 V CA -0.342 61.908 62.300 -0.083 0.000 1.059 306 V CB 0.465 32.236 31.823 -0.087 0.000 1.232 306 V HN 0.805 nan 8.190 nan 0.000 0.469 307 L N 6.222 127.397 121.223 -0.079 0.000 2.806 307 L HA 0.056 4.412 4.340 0.027 0.000 0.282 307 L C 0.045 176.864 176.870 -0.086 0.000 1.166 307 L CA 1.225 56.021 54.840 -0.072 0.000 0.969 307 L CB -0.049 41.946 42.059 -0.107 0.000 1.304 307 L HN 0.811 nan 8.230 nan 0.000 0.474 308 D N 1.986 122.370 120.400 -0.027 0.000 2.664 308 D HA 0.240 4.896 4.640 0.027 0.000 0.292 308 D C -0.809 175.565 176.300 0.123 0.000 1.214 308 D CA -0.655 53.317 54.000 -0.047 0.000 0.932 308 D CB 1.114 41.902 40.800 -0.020 0.000 1.420 308 D HN 0.269 nan 8.370 nan 0.000 0.471 309 T N 1.602 116.257 114.554 0.168 0.000 2.888 309 T HA 0.357 4.724 4.350 0.027 0.000 0.301 309 T C -2.239 172.575 174.700 0.191 0.000 1.001 309 T CA -0.440 61.847 62.100 0.313 0.000 1.147 309 T CB 0.493 69.523 68.868 0.271 0.000 0.931 309 T HN 0.221 nan 8.240 nan 0.000 0.541 310 P HA 0.165 nan 4.420 nan 0.000 0.266 310 P C -2.111 175.178 177.300 -0.018 0.000 1.195 310 P CA -1.151 61.959 63.100 0.015 0.000 0.768 310 P CB -0.397 31.294 31.700 -0.015 0.000 0.838 311 P HA 0.027 nan 4.420 nan 0.000 0.270 311 P C -0.506 176.764 177.300 -0.051 0.000 1.223 311 P CA 0.155 63.217 63.100 -0.063 0.000 0.785 311 P CB 0.470 32.099 31.700 -0.118 0.000 0.923 312 D N 1.892 122.278 120.400 -0.023 0.000 2.336 312 D HA 0.141 4.797 4.640 0.027 0.000 0.249 312 D C -1.549 174.744 176.300 -0.012 0.000 1.213 312 D CA -2.197 51.793 54.000 -0.016 0.000 0.870 312 D CB 0.405 41.200 40.800 -0.008 0.000 1.076 312 D HN 0.075 nan 8.370 nan 0.000 0.483 313 P HA -0.110 nan 4.420 nan 0.000 0.223 313 P C 0.836 178.146 177.300 0.017 0.000 1.144 313 P CA 0.865 63.975 63.100 0.017 0.000 0.783 313 P CB 0.216 31.926 31.700 0.016 0.000 0.771 314 A N -0.741 122.079 122.820 0.000 0.000 2.019 314 A HA -0.132 4.204 4.320 0.027 0.000 0.219 314 A C 2.036 179.615 177.584 -0.009 0.000 1.164 314 A CA 1.143 53.175 52.037 -0.007 0.000 0.644 314 A CB -1.484 17.508 19.000 -0.013 0.000 0.805 314 A HN 0.174 nan 8.150 nan 0.000 0.449 315 L N -0.475 120.744 121.223 -0.006 0.000 2.291 315 L HA -0.117 4.239 4.340 0.027 0.000 0.214 315 L C 1.359 178.232 176.870 0.005 0.000 1.120 315 L CA 0.890 55.723 54.840 -0.012 0.000 0.799 315 L CB -0.322 41.725 42.059 -0.019 0.000 0.925 315 L HN 0.308 nan 8.230 nan 0.000 0.446 316 D N -0.436 119.987 120.400 0.038 0.000 2.317 316 D HA -0.106 4.550 4.640 0.027 0.000 0.211 316 D C 0.958 177.283 176.300 0.042 0.000 0.966 316 D CA 0.224 54.278 54.000 0.091 0.000 0.876 316 D CB -0.059 40.871 40.800 0.217 0.000 0.927 316 D HN 0.295 nan 8.370 nan 0.000 0.519 317 E N 1.661 121.864 120.200 0.004 0.000 2.975 317 E HA -0.122 4.244 4.350 0.027 0.000 0.269 317 E C -0.612 175.967 176.600 -0.035 0.000 0.905 317 E CA 0.365 56.751 56.400 -0.024 0.000 0.967 317 E CB 0.664 30.345 29.700 -0.032 0.000 0.925 317 E HN -0.164 nan 8.360 nan 0.000 0.507 318 V N 3.599 123.483 119.914 -0.049 0.000 2.481 318 V HA 0.400 4.536 4.120 0.027 0.000 0.286 318 V C 0.936 176.983 176.094 -0.079 0.000 1.042 318 V CA -0.002 62.264 62.300 -0.055 0.000 0.928 318 V CB 1.217 33.005 31.823 -0.057 0.000 0.986 318 V HN 0.791 nan 8.190 nan 0.000 0.462 319 R N 2.475 122.904 120.500 -0.119 0.000 2.446 319 R HA 0.519 4.875 4.340 0.027 0.000 0.314 319 R C 0.491 176.720 176.300 -0.117 0.000 1.003 319 R CA 0.328 56.317 56.100 -0.185 0.000 1.018 319 R CB -1.076 28.976 30.300 -0.412 0.000 0.945 319 R HN 1.113 nan 8.270 nan 0.000 0.419 320 K N 1.982 122.325 120.400 -0.096 0.000 2.440 320 K HA 0.275 4.611 4.320 0.027 0.000 0.270 320 K C 0.004 176.576 176.600 -0.048 0.000 0.980 320 K CA 0.908 57.158 56.287 -0.062 0.000 0.953 320 K CB 0.185 32.651 32.500 -0.055 0.000 0.925 320 K HN 0.909 nan 8.250 nan 0.000 0.497 353 S N 2.080 117.760 115.700 -0.033 0.000 2.531 353 S HA 0.273 4.759 4.470 0.027 0.000 0.279 353 S C 0.942 175.524 174.600 -0.030 0.000 1.305 353 S CA 0.004 58.159 58.200 -0.075 0.000 1.058 353 S CB 0.681 63.848 63.200 -0.054 0.000 0.899 353 S HN 0.804 nan 8.310 nan 0.000 0.493 354 L N 6.283 127.452 121.223 -0.090 0.000 2.191 354 L HA 0.022 4.379 4.340 0.027 0.000 0.212 354 L C 1.194 178.191 176.870 0.211 0.000 1.103 354 L CA 1.549 56.404 54.840 0.025 0.000 0.769 354 L CB -0.208 41.839 42.059 -0.019 0.000 0.908 354 L HN 0.783 nan 8.230 nan 0.000 0.438 355 W N -0.002 121.314 121.300 0.027 0.000 2.961 355 W HA 0.042 4.719 4.660 0.029 0.000 0.240 355 W C 0.861 177.388 176.519 0.014 0.000 1.305 355 W CA -0.013 57.342 57.345 0.017 0.000 1.465 355 W CB -0.690 28.779 29.460 0.015 0.000 1.135 355 W HN 0.326 nan 8.180 nan 0.000 0.688 356 D N -1.681 118.845 120.400 0.209 0.000 2.479 356 D HA 0.092 4.748 4.640 0.027 0.000 0.218 356 D C -0.206 176.149 176.300 0.092 0.000 1.177 356 D CA 0.141 54.214 54.000 0.122 0.000 0.830 356 D CB 0.076 40.928 40.800 0.088 0.000 1.014 356 D HN -0.174 nan 8.370 nan 0.000 0.503 357 C N 1.239 120.603 119.300 0.106 0.000 2.316 357 C HA 0.213 4.689 4.460 0.027 0.000 0.324 357 C C 0.982 176.018 174.990 0.077 0.000 1.226 357 C CA -0.648 58.416 59.018 0.077 0.000 1.450 357 C CB 0.320 28.093 27.740 0.056 0.000 2.123 357 C HN 0.108 nan 8.230 nan 0.000 0.454 358 D N 1.295 121.727 120.400 0.053 0.000 2.371 358 D HA -0.027 4.629 4.640 0.027 0.000 0.221 358 D C 1.134 177.459 176.300 0.041 0.000 0.986 358 D CA 0.479 54.504 54.000 0.042 0.000 0.899 358 D CB -0.024 40.791 40.800 0.025 0.000 0.902 358 D HN 0.537 nan 8.370 nan 0.000 0.530 359 R N 1.679 122.203 120.500 0.040 0.000 2.494 359 R HA -0.059 4.297 4.340 0.027 0.000 0.291 359 R C -0.159 176.178 176.300 0.062 0.000 0.953 359 R CA 0.363 56.482 56.100 0.031 0.000 1.098 359 R CB 0.300 30.613 30.300 0.021 0.000 0.911 359 R HN -0.079 nan 8.270 nan 0.000 0.407 360 K N 4.297 124.730 120.400 0.056 0.000 2.298 360 K HA 0.011 4.347 4.320 0.027 0.000 0.280 360 K C -0.198 176.490 176.600 0.147 0.000 1.032 360 K CA -0.283 56.069 56.287 0.109 0.000 0.958 360 K CB 0.455 33.009 32.500 0.090 0.000 0.978 360 K HN 0.429 nan 8.250 nan 0.000 0.472 361 F N 4.227 124.242 119.950 0.109 0.000 2.563 361 F HA -0.010 4.533 4.527 0.027 0.000 0.363 361 F C 0.383 176.356 175.800 0.289 0.000 1.123 361 F CA 0.382 58.467 58.000 0.141 0.000 1.307 361 F CB 0.478 39.510 39.000 0.054 0.000 1.115 361 F HN 0.507 nan 8.300 nan 0.000 0.592 362 R N 4.601 124.677 120.500 -0.707 0.000 2.668 362 R HA 0.794 5.150 4.340 0.027 0.000 0.272 362 R C -2.451 173.630 176.300 -0.365 0.000 1.019 362 R CA -1.163 54.781 56.100 -0.260 0.000 0.894 362 R CB 1.727 31.995 30.300 -0.053 0.000 1.228 362 R HN 0.572 nan 8.270 nan 0.000 0.460 363 V N 2.017 122.003 119.914 0.120 0.000 2.638 363 V HA 0.422 4.558 4.120 0.027 0.000 0.306 363 V C -1.017 175.069 176.094 -0.012 0.000 1.052 363 V CA -0.889 61.492 62.300 0.134 0.000 0.885 363 V CB 2.140 34.128 31.823 0.275 0.000 0.999 363 V HN 0.827 nan 8.190 nan 0.000 0.424 364 K N 6.573 126.715 120.400 -0.431 0.000 2.248 364 K HA 0.476 4.813 4.320 0.027 0.000 0.281 364 K C -0.722 175.640 176.600 -0.397 0.000 1.054 364 K CA -0.668 55.122 56.287 -0.828 0.000 0.903 364 K CB 0.796 32.256 32.500 -1.733 0.000 1.077 364 K HN 0.568 nan 8.250 nan 0.000 0.474 365 I N 6.953 127.354 120.570 -0.282 0.000 2.282 365 I HA 0.117 4.303 4.170 0.027 0.000 0.290 365 I C 1.381 177.462 176.117 -0.059 0.000 1.090 365 I CA -0.095 61.112 61.300 -0.155 0.000 1.231 365 I CB 0.442 38.310 38.000 -0.220 0.000 1.434 365 I HN 0.697 nan 8.210 nan 0.000 0.487 366 R N 3.883 124.343 120.500 -0.067 0.000 2.081 366 R HA 0.111 4.468 4.340 0.027 0.000 0.235 366 R C 0.977 177.325 176.300 0.080 0.000 1.131 366 R CA 0.808 56.893 56.100 -0.026 0.000 0.960 366 R CB -0.019 30.249 30.300 -0.053 0.000 0.856 366 R HN 0.750 nan 8.270 nan 0.000 0.436 367 G N 0.617 109.489 108.800 0.121 0.000 2.368 367 G HA2 0.224 4.200 3.960 0.027 0.000 0.302 367 G HA3 0.224 4.200 3.960 0.027 0.000 0.302 367 G C -1.165 173.799 174.900 0.105 0.000 1.329 367 G CA -0.532 44.705 45.100 0.228 0.000 0.935 367 G HN 0.215 nan 8.290 nan 0.000 0.590 368 I N -2.238 118.400 120.570 0.113 0.000 3.023 368 I HA 0.971 5.157 4.170 0.027 0.000 0.312 368 I C -1.311 174.770 176.117 -0.060 0.000 1.056 368 I CA -0.989 60.304 61.300 -0.013 0.000 1.033 368 I CB 2.694 40.678 38.000 -0.027 0.000 1.233 368 I HN 0.658 nan 8.210 nan 0.000 0.462 369 D N 3.372 123.711 120.400 -0.101 0.000 2.484 369 D HA 0.191 4.847 4.640 0.027 0.000 0.206 369 D C -1.483 174.769 176.300 -0.080 0.000 1.322 369 D CA -0.243 53.713 54.000 -0.072 0.000 0.913 369 D CB 1.462 42.226 40.800 -0.059 0.000 1.559 369 D HN 0.516 nan 8.370 nan 0.000 0.565 370 I N 3.182 123.735 120.570 -0.028 0.000 2.304 370 I HA 0.256 4.443 4.170 0.027 0.000 0.291 370 I C -1.696 174.430 176.117 0.014 0.000 1.018 370 I CA -2.687 58.604 61.300 -0.016 0.000 1.260 370 I CB 1.591 39.625 38.000 0.056 0.000 1.390 370 I HN 0.151 nan 8.210 nan 0.000 0.475 371 P HA -0.033 nan 4.420 nan 0.000 0.240 371 P C -0.341 176.969 177.300 0.017 0.000 1.186 371 P CA 0.776 63.883 63.100 0.011 0.000 0.755 371 P CB 0.036 31.742 31.700 0.010 0.000 0.870 372 V N -1.222 118.709 119.914 0.028 0.000 2.971 372 V HA 0.304 4.441 4.120 0.027 0.000 0.281 372 V C -1.500 174.606 176.094 0.020 0.000 1.470 372 V CA -0.923 61.390 62.300 0.022 0.000 0.966 372 V CB 1.811 33.645 31.823 0.017 0.000 1.156 372 V HN -0.165 nan 8.190 nan 0.000 0.441 380 T N -0.054 114.676 114.554 0.293 0.000 2.940 380 T HA 0.821 5.187 4.350 0.027 0.000 0.288 380 T C -1.426 173.465 174.700 0.318 0.000 1.033 380 T CA -0.409 61.856 62.100 0.275 0.000 1.033 380 T CB 1.683 70.683 68.868 0.219 0.000 1.079 380 T HN 0.389 nan 8.240 nan 0.000 0.496 381 V N 4.978 125.034 119.914 0.236 0.000 2.851 381 V HA 0.815 4.951 4.120 0.027 0.000 0.307 381 V C -1.669 174.645 176.094 0.365 0.000 1.129 381 V CA -0.853 61.523 62.300 0.125 0.000 0.932 381 V CB 1.681 33.253 31.823 -0.419 0.000 1.024 381 V HN 0.879 nan 8.190 nan 0.000 0.426 382 F N 4.645 124.700 119.950 0.175 0.000 2.578 382 F HA 0.878 5.421 4.527 0.026 0.000 0.311 382 F C -0.972 174.818 175.800 -0.017 0.000 1.094 382 F CA -1.134 56.929 58.000 0.105 0.000 0.923 382 F CB 1.371 40.422 39.000 0.085 0.000 1.230 382 F HN 0.235 nan 8.300 nan 0.000 0.450 383 V N 2.063 121.857 119.914 -0.200 0.000 2.607 383 V HA 0.313 4.450 4.120 0.027 0.000 0.289 383 V C -0.340 175.759 176.094 0.008 0.000 1.053 383 V CA -0.445 61.720 62.300 -0.225 0.000 0.996 383 V CB 1.410 32.961 31.823 -0.453 0.000 0.995 383 V HN 0.904 nan 8.190 nan 0.000 0.476 384 E N 2.626 122.878 120.200 0.087 0.000 2.185 384 E HA 0.643 5.009 4.350 0.027 0.000 0.261 384 E C -0.836 175.852 176.600 0.147 0.000 0.879 384 E CA -0.646 55.873 56.400 0.199 0.000 0.756 384 E CB 1.553 31.495 29.700 0.404 0.000 1.152 384 E HN 0.830 nan 8.360 nan 0.000 0.416 385 A N 5.150 128.063 122.820 0.156 0.000 2.271 385 A HA 0.475 4.811 4.320 0.027 0.000 0.317 385 A C -0.647 177.167 177.584 0.383 0.000 1.245 385 A CA -0.699 51.496 52.037 0.263 0.000 0.857 385 A CB 0.556 19.768 19.000 0.353 0.000 1.175 385 A HN 0.679 nan 8.150 nan 0.000 0.512 386 N N 2.121 120.973 118.700 0.254 0.000 2.269 386 N HA 0.455 5.211 4.740 0.027 0.000 0.304 386 N C -1.245 174.268 175.510 0.005 0.000 1.072 386 N CA -0.395 52.764 53.050 0.181 0.000 0.802 386 N CB 2.132 40.687 38.487 0.113 0.000 1.348 386 N HN 0.534 nan 8.380 nan 0.000 0.484 387 I N 2.376 122.889 120.570 -0.094 0.000 2.328 387 I HA 0.196 4.382 4.170 0.027 0.000 0.287 387 I C -0.007 176.042 176.117 -0.113 0.000 1.012 387 I CA -0.318 60.831 61.300 -0.251 0.000 1.195 387 I CB 0.845 38.559 38.000 -0.476 0.000 1.350 387 I HN 0.261 nan 8.210 nan 0.000 0.464 388 Q N 5.128 124.872 119.800 -0.093 0.000 2.351 388 Q HA 0.534 4.891 4.340 0.027 0.000 0.273 388 Q C -0.782 175.215 176.000 -0.004 0.000 1.077 388 Q CA -0.863 54.915 55.803 -0.042 0.000 0.843 388 Q CB 3.158 31.866 28.738 -0.050 0.000 1.367 388 Q HN 0.508 nan 8.270 nan 0.000 0.449 389 H N -0.593 118.407 119.070 -0.117 0.000 3.240 389 H HA 0.216 4.788 4.556 0.026 0.000 0.329 389 H C -0.147 175.065 175.328 -0.194 0.000 1.024 389 H CA 0.634 56.586 56.048 -0.160 0.000 1.487 389 H CB 1.202 30.889 29.762 -0.125 0.000 1.909 389 H HN 0.952 nan 8.280 nan 0.000 0.465 390 G N 4.103 112.626 108.800 -0.461 0.000 2.295 390 G HA2 -0.352 3.624 3.960 0.027 0.000 0.287 390 G HA3 -0.352 3.624 3.960 0.027 0.000 0.287 390 G C 0.530 175.275 174.900 -0.258 0.000 1.055 390 G CA 1.378 46.235 45.100 -0.405 0.000 0.922 390 G HN 0.857 nan 8.290 nan 0.000 0.503 391 Q N -2.521 117.174 119.800 -0.176 0.000 2.282 391 Q HA -0.252 4.104 4.340 0.027 0.000 0.182 391 Q C 0.730 176.688 176.000 -0.070 0.000 0.609 391 Q CA 2.399 58.133 55.803 -0.115 0.000 1.397 391 Q CB -1.070 27.590 28.738 -0.131 0.000 1.458 391 Q HN 0.932 nan 8.270 nan 0.000 0.852 392 Q N 0.429 120.198 119.800 -0.053 0.000 2.295 392 Q HA 0.411 4.767 4.340 0.027 0.000 0.259 392 Q C -0.988 175.022 176.000 0.017 0.000 0.976 392 Q CA -0.190 55.616 55.803 0.004 0.000 0.923 392 Q CB 0.968 29.749 28.738 0.071 0.000 1.185 392 Q HN 0.128 nan 8.270 nan 0.000 0.410 393 V N 6.778 126.701 119.914 0.015 0.000 2.385 393 V HA 0.046 4.182 4.120 0.027 0.000 0.269 393 V C 1.147 177.256 176.094 0.026 0.000 1.043 393 V CA 0.020 62.331 62.300 0.020 0.000 0.906 393 V CB 0.885 32.724 31.823 0.027 0.000 0.995 393 V HN 0.886 nan 8.190 nan 0.000 0.467 394 L N 3.289 124.523 121.223 0.018 0.000 2.095 394 L HA 0.137 4.493 4.340 0.027 0.000 0.204 394 L C 0.937 177.833 176.870 0.043 0.000 1.080 394 L CA 1.085 55.932 54.840 0.012 0.000 0.759 394 L CB 0.083 42.128 42.059 -0.023 0.000 0.914 394 L HN 0.689 nan 8.230 nan 0.000 0.439 395 C N -1.302 118.047 119.300 0.082 0.000 3.285 395 C HA 0.483 4.959 4.460 0.027 0.000 0.325 395 C C -1.381 173.766 174.990 0.261 0.000 1.304 395 C CA -0.545 58.586 59.018 0.187 0.000 1.319 395 C CB 1.985 29.910 27.740 0.308 0.000 1.640 395 C HN 0.395 nan 8.230 nan 0.000 0.477 396 Q N 2.832 122.780 119.800 0.247 0.000 2.345 396 Q HA 0.729 5.085 4.340 0.027 0.000 0.275 396 Q C -1.143 174.907 176.000 0.084 0.000 1.063 396 Q CA -0.618 55.311 55.803 0.210 0.000 0.819 396 Q CB 1.765 30.573 28.738 0.117 0.000 1.356 396 Q HN 0.776 nan 8.270 nan 0.000 0.418 397 R N 1.447 121.954 120.500 0.012 0.000 2.885 397 R HA 0.673 5.029 4.340 0.027 0.000 0.260 397 R C -0.745 175.515 176.300 -0.067 0.000 1.107 397 R CA -0.670 55.334 56.100 -0.160 0.000 0.978 397 R CB 2.008 32.004 30.300 -0.507 0.000 1.227 397 R HN 0.748 nan 8.270 nan 0.000 0.473 398 R N -0.910 119.525 120.500 -0.108 0.000 2.909 398 R HA 0.482 4.839 4.340 0.027 0.000 0.262 398 R C -0.895 175.306 176.300 -0.165 0.000 1.095 398 R CA -0.644 55.418 56.100 -0.063 0.000 0.965 398 R CB 2.124 32.396 30.300 -0.047 0.000 1.300 398 R HN 0.819 nan 8.270 nan 0.000 0.442 399 T N -1.652 112.789 114.554 -0.189 0.000 2.916 399 T HA 0.380 4.747 4.350 0.027 0.000 0.292 399 T C -0.155 174.523 174.700 -0.035 0.000 1.055 399 T CA -0.887 60.999 62.100 -0.356 0.000 1.009 399 T CB 1.607 69.757 68.868 -1.197 0.000 1.118 399 T HN 0.576 nan 8.240 nan 0.000 0.497 400 S N 1.605 117.406 115.700 0.169 0.000 2.537 400 S HA 0.284 4.770 4.470 0.027 0.000 0.286 400 S C -2.637 172.215 174.600 0.421 0.000 1.299 400 S CA -0.918 57.434 58.200 0.252 0.000 1.067 400 S CB -0.635 62.718 63.200 0.256 0.000 0.864 400 S HN 0.621 nan 8.310 nan 0.000 0.494 401 P HA 0.324 nan 4.420 nan 0.000 0.265 401 P C -0.470 176.983 177.300 0.255 0.000 1.222 401 P CA -0.119 63.172 63.100 0.319 0.000 0.767 401 P CB 0.280 32.095 31.700 0.191 0.000 0.801 402 K N 5.343 125.903 120.400 0.266 0.000 2.166 402 K HA 0.549 4.885 4.320 0.027 0.000 0.245 402 K C -2.502 174.111 176.600 0.021 0.000 0.967 402 K CA -2.491 53.798 56.287 0.003 0.000 0.863 402 K CB 0.257 32.517 32.500 -0.399 0.000 1.107 402 K HN 0.165 nan 8.250 nan 0.000 0.436 403 P HA 0.008 nan 4.420 nan 0.000 0.271 403 P C -0.837 176.521 177.300 0.096 0.000 1.226 403 P CA -0.163 62.971 63.100 0.056 0.000 0.765 403 P CB 0.181 31.896 31.700 0.025 0.000 0.835 404 F N 5.012 124.978 119.950 0.028 0.000 2.552 404 F HA 0.106 4.649 4.527 0.027 0.000 0.342 404 F C 0.766 176.570 175.800 0.006 0.000 1.257 404 F CA 0.120 58.139 58.000 0.032 0.000 1.058 404 F CB -1.037 38.000 39.000 0.062 0.000 1.288 404 F HN 0.202 nan 8.300 nan 0.000 0.627 405 T N 0.964 115.705 114.554 0.313 0.000 2.927 405 T HA 0.313 4.679 4.350 0.027 0.000 0.286 405 T C 0.953 175.766 174.700 0.188 0.000 1.040 405 T CA -0.793 61.414 62.100 0.179 0.000 1.010 405 T CB 1.300 70.201 68.868 0.056 0.000 1.177 405 T HN 0.282 nan 8.240 nan 0.000 0.546 406 E N 0.153 120.412 120.200 0.099 0.000 2.396 406 E HA -0.011 4.355 4.350 0.027 0.000 0.200 406 E C 0.441 177.061 176.600 0.034 0.000 1.023 406 E CA 0.919 57.361 56.400 0.071 0.000 0.857 406 E CB 0.019 29.739 29.700 0.033 0.000 0.775 406 E HN 0.792 nan 8.360 nan 0.000 0.525 407 E N -0.401 119.802 120.200 0.006 0.000 2.335 407 E HA 0.360 4.726 4.350 0.027 0.000 0.280 407 E C -1.733 174.808 176.600 -0.098 0.000 0.918 407 E CA -0.426 55.948 56.400 -0.043 0.000 0.765 407 E CB 2.057 31.730 29.700 -0.045 0.000 1.218 407 E HN -0.211 nan 8.360 nan 0.000 0.425 408 V N 4.831 124.655 119.914 -0.150 0.000 2.623 408 V HA 0.466 4.602 4.120 0.027 0.000 0.304 408 V C -0.545 175.357 176.094 -0.321 0.000 1.054 408 V CA -0.701 61.405 62.300 -0.322 0.000 0.882 408 V CB 1.437 32.988 31.823 -0.454 0.000 1.002 408 V HN 0.569 nan 8.190 nan 0.000 0.424 409 L N 2.927 123.907 121.223 -0.405 0.000 2.342 409 L HA 0.609 4.965 4.340 0.027 0.000 0.271 409 L C 0.160 176.818 176.870 -0.353 0.000 1.008 409 L CA -0.349 54.355 54.840 -0.228 0.000 0.818 409 L CB 2.511 44.490 42.059 -0.133 0.000 1.296 409 L HN 0.633 nan 8.230 nan 0.000 0.427 410 W N 0.025 121.284 121.300 -0.069 0.000 4.359 410 W HA 0.075 4.752 4.660 0.028 0.000 0.200 410 W C 0.889 177.360 176.519 -0.081 0.000 1.068 410 W CA 0.157 57.463 57.345 -0.064 0.000 1.787 410 W CB 0.299 29.720 29.460 -0.066 0.000 0.717 410 W HN 0.818 nan 8.180 nan 0.000 0.930 411 N N 0.935 119.707 118.700 0.120 0.000 2.714 411 N HA -0.196 4.560 4.740 0.027 0.000 0.250 411 N C -0.498 174.961 175.510 -0.085 0.000 1.117 411 N CA 0.935 53.964 53.050 -0.034 0.000 0.719 411 N CB -1.247 37.227 38.487 -0.022 0.000 1.081 411 N HN -0.054 nan 8.380 nan 0.000 0.557 412 V N -3.200 116.690 119.914 -0.040 0.000 2.785 412 V HA 0.672 4.808 4.120 0.027 0.000 0.300 412 V C 0.489 176.472 176.094 -0.185 0.000 1.062 412 V CA -0.745 61.534 62.300 -0.034 0.000 1.029 412 V CB 0.930 32.779 31.823 0.043 0.000 1.024 412 V HN 0.247 nan 8.190 nan 0.000 0.477 413 W N 3.228 124.511 121.300 -0.028 0.000 2.349 413 W HA 0.673 5.349 4.660 0.026 0.000 0.309 413 W C -0.357 176.100 176.519 -0.105 0.000 1.083 413 W CA -0.605 56.704 57.345 -0.060 0.000 1.224 413 W CB 1.562 30.989 29.460 -0.054 0.000 1.256 413 W HN 0.500 nan 8.180 nan 0.000 0.461 414 L N 3.802 125.079 121.223 0.089 0.000 2.287 414 L HA 0.245 4.601 4.340 0.027 0.000 0.280 414 L C 0.303 177.074 176.870 -0.165 0.000 1.055 414 L CA -0.462 54.298 54.840 -0.133 0.000 0.863 414 L CB 0.655 42.541 42.059 -0.289 0.000 1.245 414 L HN 0.427 nan 8.230 nan 0.000 0.432 415 E N 3.292 123.427 120.200 -0.108 0.000 2.129 415 E HA 0.245 4.612 4.350 0.027 0.000 0.283 415 E C -0.732 175.820 176.600 -0.081 0.000 1.080 415 E CA -0.525 55.854 56.400 -0.035 0.000 0.867 415 E CB 0.615 30.307 29.700 -0.014 0.000 1.056 415 E HN 0.240 nan 8.360 nan 0.000 0.404 416 F N 1.426 121.444 119.950 0.113 0.000 2.375 416 F HA 0.094 4.637 4.527 0.026 0.000 0.313 416 F C 1.447 177.304 175.800 0.094 0.000 1.176 416 F CA -0.397 57.684 58.000 0.135 0.000 1.142 416 F CB 1.186 40.332 39.000 0.244 0.000 1.275 416 F HN 0.407 nan 8.300 nan 0.000 0.544 417 S N 1.152 117.013 115.700 0.269 0.000 2.738 417 S HA 0.601 5.087 4.470 0.027 0.000 0.227 417 S C -0.569 174.113 174.600 0.136 0.000 1.311 417 S CA -0.374 57.915 58.200 0.149 0.000 1.249 417 S CB -1.318 61.936 63.200 0.091 0.000 1.030 417 S HN 0.421 nan 8.310 nan 0.000 0.512 418 I N 0.427 121.100 120.570 0.171 0.000 2.548 418 I HA 0.347 4.534 4.170 0.027 0.000 0.287 418 I C -0.306 175.887 176.117 0.127 0.000 1.103 418 I CA -0.864 60.502 61.300 0.108 0.000 1.049 418 I CB 1.955 39.990 38.000 0.059 0.000 1.232 418 I HN 0.007 nan 8.210 nan 0.000 0.429 419 K N 4.513 124.961 120.400 0.080 0.000 2.414 419 K HA 0.236 4.572 4.320 0.027 0.000 0.272 419 K C 1.000 177.667 176.600 0.111 0.000 0.993 419 K CA -0.483 55.856 56.287 0.087 0.000 0.964 419 K CB 1.163 33.693 32.500 0.050 0.000 0.925 419 K HN 0.507 nan 8.250 nan 0.000 0.487 420 I N 2.996 123.652 120.570 0.143 0.000 2.248 420 I HA -0.290 3.896 4.170 0.027 0.000 0.248 420 I C 2.582 178.792 176.117 0.155 0.000 1.107 420 I CA 1.812 63.213 61.300 0.167 0.000 1.373 420 I CB -1.411 36.688 38.000 0.165 0.000 1.055 420 I HN 0.731 nan 8.210 nan 0.000 0.418 421 K N 0.026 120.524 120.400 0.163 0.000 2.365 421 K HA -0.113 4.223 4.320 0.027 0.000 0.199 421 K C 1.464 178.145 176.600 0.134 0.000 1.045 421 K CA 1.326 57.759 56.287 0.243 0.000 0.962 421 K CB -0.631 31.988 32.500 0.199 0.000 0.759 421 K HN 0.365 nan 8.250 nan 0.000 0.469 422 D N -0.180 120.251 120.400 0.051 0.000 2.339 422 D HA 0.134 4.790 4.640 0.027 0.000 0.217 422 D C -0.185 176.107 176.300 -0.013 0.000 1.050 422 D CA -0.044 53.945 54.000 -0.019 0.000 0.856 422 D CB 0.145 40.922 40.800 -0.039 0.000 0.922 422 D HN 0.355 nan 8.370 nan 0.000 0.518 423 L N 3.176 124.416 121.223 0.027 0.000 2.361 423 L HA 0.207 4.563 4.340 0.027 0.000 0.278 423 L C -2.037 174.849 176.870 0.026 0.000 1.113 423 L CA -1.352 53.475 54.840 -0.022 0.000 0.849 423 L CB 0.780 42.802 42.059 -0.062 0.000 1.155 423 L HN -0.208 nan 8.230 nan 0.000 0.452 424 P HA 0.204 nan 4.420 nan 0.000 0.287 424 P C -1.000 176.332 177.300 0.053 0.000 1.270 424 P CA -0.878 62.216 63.100 -0.010 0.000 0.844 424 P CB 1.169 32.712 31.700 -0.262 0.000 1.068 425 K N 0.430 120.902 120.400 0.119 0.000 2.355 425 K HA 0.283 4.619 4.320 0.027 0.000 0.270 425 K C 1.081 177.794 176.600 0.189 0.000 1.003 425 K CA 0.951 57.303 56.287 0.108 0.000 0.957 425 K CB -0.460 32.052 32.500 0.019 0.000 0.939 425 K HN 0.814 nan 8.250 nan 0.000 0.482 426 G N 1.153 110.043 108.800 0.151 0.000 2.162 426 G HA2 -0.294 3.682 3.960 0.027 0.000 0.260 426 G HA3 -0.294 3.682 3.960 0.027 0.000 0.260 426 G C 0.053 174.915 174.900 -0.064 0.000 0.976 426 G CA 0.266 45.331 45.100 -0.058 0.000 0.655 426 G HN 0.865 nan 8.290 nan 0.000 0.533 427 A N 0.027 122.876 122.820 0.049 0.000 2.440 427 A HA 0.703 5.039 4.320 0.027 0.000 0.251 427 A C 0.350 177.857 177.584 -0.129 0.000 1.089 427 A CA 0.152 52.187 52.037 -0.003 0.000 0.779 427 A CB 0.468 19.430 19.000 -0.063 0.000 1.022 427 A HN 0.824 nan 8.150 nan 0.000 0.492 428 L N 2.478 123.616 121.223 -0.141 0.000 2.329 428 L HA 0.378 4.734 4.340 0.027 0.000 0.279 428 L C -0.646 176.127 176.870 -0.162 0.000 1.014 428 L CA -0.976 53.775 54.840 -0.148 0.000 0.814 428 L CB 1.781 43.770 42.059 -0.116 0.000 1.257 428 L HN 0.714 nan 8.230 nan 0.000 0.424 429 L N 5.009 126.137 121.223 -0.157 0.000 2.278 429 L HA 0.311 4.667 4.340 0.027 0.000 0.287 429 L C -0.107 176.742 176.870 -0.034 0.000 1.072 429 L CA 0.330 55.094 54.840 -0.126 0.000 0.819 429 L CB 0.576 42.577 42.059 -0.096 0.000 1.176 429 L HN 0.548 nan 8.230 nan 0.000 0.435 430 N N 6.353 125.055 118.700 0.004 0.000 2.424 430 N HA 0.313 5.069 4.740 0.027 0.000 0.271 430 N C -1.594 173.970 175.510 0.090 0.000 0.985 430 N CA -0.486 52.596 53.050 0.054 0.000 0.921 430 N CB 0.926 39.437 38.487 0.041 0.000 1.149 430 N HN 0.681 nan 8.380 nan 0.000 0.492 431 L N 3.205 124.487 121.223 0.099 0.000 2.298 431 L HA 0.401 4.757 4.340 0.027 0.000 0.284 431 L C -0.072 176.847 176.870 0.081 0.000 1.013 431 L CA -0.568 54.319 54.840 0.079 0.000 0.824 431 L CB 1.603 43.689 42.059 0.044 0.000 1.221 431 L HN 0.398 nan 8.230 nan 0.000 0.418 432 Q N 4.114 123.939 119.800 0.042 0.000 2.377 432 Q HA 0.660 5.016 4.340 0.027 0.000 0.271 432 Q C -1.068 174.816 176.000 -0.193 0.000 1.077 432 Q CA -0.755 55.010 55.803 -0.063 0.000 0.820 432 Q CB 3.407 32.078 28.738 -0.111 0.000 1.347 432 Q HN 0.538 nan 8.270 nan 0.000 0.444 433 I N 2.366 122.761 120.570 -0.293 0.000 2.382 433 I HA 0.365 4.551 4.170 0.027 0.000 0.286 433 I C -1.112 174.720 176.117 -0.474 0.000 1.002 433 I CA -0.607 60.524 61.300 -0.282 0.000 1.135 433 I CB 0.655 38.620 38.000 -0.057 0.000 1.288 433 I HN 0.534 nan 8.210 nan 0.000 0.448 434 Y N 4.810 124.808 120.300 -0.503 0.000 2.631 434 Y HA 0.715 5.281 4.550 0.027 0.000 0.328 434 Y C 0.537 176.244 175.900 -0.322 0.000 1.118 434 Y CA -0.570 57.234 58.100 -0.494 0.000 1.206 434 Y CB 1.665 39.623 38.460 -0.838 0.000 1.337 434 Y HN 0.678 nan 8.280 nan 0.000 0.515 459 Q N 2.403 122.357 119.800 0.258 0.000 2.391 459 Q HA 0.785 5.142 4.340 0.027 0.000 0.279 459 Q C -1.700 174.404 176.000 0.173 0.000 1.028 459 Q CA -0.711 55.223 55.803 0.218 0.000 0.836 459 Q CB 2.813 31.625 28.738 0.123 0.000 1.414 459 Q HN 0.803 nan 8.270 nan 0.000 0.397 460 L N 3.210 124.459 121.223 0.044 0.000 2.375 460 L HA 0.428 4.784 4.340 0.027 0.000 0.271 460 L C -0.887 175.862 176.870 -0.202 0.000 1.107 460 L CA 0.437 55.096 54.840 -0.302 0.000 0.806 460 L CB 0.748 42.596 42.059 -0.352 0.000 1.146 460 L HN 0.954 nan 8.230 nan 0.000 0.447 461 L N 3.325 124.393 121.223 -0.258 0.000 2.766 461 L HA 0.362 4.718 4.340 0.027 0.000 0.241 461 L C -0.921 175.502 176.870 -0.746 0.000 1.080 461 L CA -0.233 54.372 54.840 -0.392 0.000 0.909 461 L CB 0.461 42.393 42.059 -0.212 0.000 1.277 461 L HN 0.530 nan 8.230 nan 0.000 0.510 462 Y N -1.425 118.843 120.300 -0.053 0.000 2.581 462 Y HA 0.495 5.061 4.550 0.027 0.000 0.337 462 Y C -0.958 174.943 175.900 0.002 0.000 1.108 462 Y CA -1.439 56.627 58.100 -0.057 0.000 1.033 462 Y CB 1.650 40.047 38.460 -0.104 0.000 1.318 462 Y HN -0.029 nan 8.280 nan 0.000 0.459 463 Y N -1.065 119.348 120.300 0.188 0.000 2.670 463 Y HA 0.898 5.465 4.550 0.028 0.000 0.334 463 Y C -2.079 173.949 175.900 0.214 0.000 1.185 463 Y CA -1.566 56.605 58.100 0.118 0.000 1.053 463 Y CB 1.431 39.923 38.460 0.055 0.000 1.298 463 Y HN 0.594 nan 8.280 nan 0.000 0.459 464 V N 1.703 121.792 119.914 0.292 0.000 3.167 464 V HA 0.527 4.663 4.120 0.027 0.000 0.293 464 V C -1.987 174.239 176.094 0.220 0.000 1.379 464 V CA -0.820 61.622 62.300 0.237 0.000 1.019 464 V CB 2.498 34.352 31.823 0.051 0.000 1.115 464 V HN 0.996 nan 8.190 nan 0.000 0.442 465 N N 3.216 122.034 118.700 0.198 0.000 2.262 465 N HA 0.737 5.493 4.740 0.027 0.000 0.295 465 N C -1.796 173.753 175.510 0.065 0.000 1.161 465 N CA -0.425 52.690 53.050 0.108 0.000 0.767 465 N CB 2.695 41.236 38.487 0.089 0.000 1.499 465 N HN 0.542 nan 8.380 nan 0.000 0.476 466 L N 1.290 122.507 121.223 -0.009 0.000 2.470 466 L HA 0.480 4.836 4.340 0.027 0.000 0.268 466 L C -1.342 175.462 176.870 -0.110 0.000 0.964 466 L CA -0.444 54.360 54.840 -0.060 0.000 0.839 466 L CB 1.541 43.496 42.059 -0.173 0.000 1.276 466 L HN 0.459 nan 8.230 nan 0.000 0.403 467 L N 6.039 127.201 121.223 -0.102 0.000 2.433 467 L HA 0.160 4.516 4.340 0.027 0.000 0.275 467 L C 1.139 177.942 176.870 -0.111 0.000 1.128 467 L CA 0.090 54.852 54.840 -0.130 0.000 0.875 467 L CB 0.595 42.568 42.059 -0.142 0.000 1.171 467 L HN 0.730 nan 8.230 nan 0.000 0.463 468 L N 5.264 126.398 121.223 -0.148 0.000 2.633 468 L HA 0.061 4.417 4.340 0.027 0.000 0.235 468 L C 0.267 177.087 176.870 -0.083 0.000 1.163 468 L CA 0.753 55.495 54.840 -0.164 0.000 0.859 468 L CB -0.214 41.639 42.059 -0.344 0.000 0.973 468 L HN 0.532 nan 8.230 nan 0.000 0.451 469 I N -0.085 120.463 120.570 -0.036 0.000 2.534 469 I HA 0.144 4.330 4.170 0.027 0.000 0.286 469 I C -0.802 175.355 176.117 0.067 0.000 1.094 469 I CA -0.948 60.351 61.300 -0.001 0.000 1.055 469 I CB 1.866 39.861 38.000 -0.008 0.000 1.225 469 I HN -0.047 nan 8.210 nan 0.000 0.435 470 D N 4.568 124.970 120.400 0.003 0.000 2.433 470 D HA 0.040 4.697 4.640 0.027 0.000 0.255 470 D C 1.356 177.557 176.300 -0.165 0.000 1.226 470 D CA -0.051 53.967 54.000 0.030 0.000 1.015 470 D CB 0.348 41.054 40.800 -0.156 0.000 1.091 470 D HN 0.589 nan 8.370 nan 0.000 0.527 471 H N -0.543 118.374 119.070 -0.255 0.000 2.518 471 H HA -0.045 4.527 4.556 0.027 0.000 0.292 471 H C 0.748 175.807 175.328 -0.449 0.000 1.068 471 H CA 0.848 56.571 56.048 -0.542 0.000 1.275 471 H CB -0.359 29.041 29.762 -0.604 0.000 1.375 471 H HN 0.388 nan 8.280 nan 0.000 0.563 472 R N -0.538 119.641 120.500 -0.535 0.000 2.432 472 R HA 0.102 4.458 4.340 0.027 0.000 0.260 472 R C -0.276 176.103 176.300 0.132 0.000 0.935 472 R CA -0.192 55.793 56.100 -0.192 0.000 1.080 472 R CB 0.206 30.317 30.300 -0.313 0.000 1.155 472 R HN 0.080 nan 8.270 nan 0.000 0.531 473 F N -0.112 119.707 119.950 -0.219 0.000 2.988 473 F HA -0.253 4.290 4.527 0.027 0.000 0.287 473 F C -0.183 175.544 175.800 -0.122 0.000 0.781 473 F CA 0.312 58.227 58.000 -0.142 0.000 1.221 473 F CB -1.904 37.018 39.000 -0.130 0.000 1.392 473 F HN -0.007 nan 8.300 nan 0.000 0.425 474 L N 0.726 121.950 121.223 0.002 0.000 2.307 474 L HA 0.516 4.872 4.340 0.027 0.000 0.282 474 L C 0.406 177.276 176.870 -0.001 0.000 1.051 474 L CA -1.187 53.648 54.840 -0.008 0.000 0.804 474 L CB 1.173 43.213 42.059 -0.032 0.000 1.197 474 L HN 0.014 nan 8.230 nan 0.000 0.431 475 L N 3.172 124.409 121.223 0.024 0.000 2.455 475 L HA 0.138 4.494 4.340 0.027 0.000 0.272 475 L C 0.584 177.494 176.870 0.067 0.000 1.174 475 L CA 0.254 55.124 54.840 0.051 0.000 0.869 475 L CB 0.347 42.457 42.059 0.085 0.000 1.130 475 L HN 0.528 nan 8.230 nan 0.000 0.474 476 R N 3.996 124.538 120.500 0.069 0.000 2.399 476 R HA 0.505 4.861 4.340 0.027 0.000 0.324 476 R C -0.407 175.988 176.300 0.158 0.000 1.030 476 R CA 0.609 56.759 56.100 0.083 0.000 0.984 476 R CB -0.010 30.282 30.300 -0.013 0.000 0.961 476 R HN 0.805 nan 8.270 nan 0.000 0.433 477 R N 2.335 122.944 120.500 0.183 0.000 2.670 477 R HA 0.781 5.137 4.340 0.027 0.000 0.289 477 R C 0.135 176.573 176.300 0.230 0.000 0.965 477 R CA -0.173 56.043 56.100 0.193 0.000 0.899 477 R CB 1.441 31.815 30.300 0.124 0.000 1.173 477 R HN 1.032 nan 8.270 nan 0.000 0.456 478 G N 0.274 109.202 108.800 0.213 0.000 2.334 478 G HA2 0.170 4.146 3.960 0.027 0.000 0.315 478 G HA3 0.170 4.146 3.960 0.027 0.000 0.315 478 G C -1.625 173.290 174.900 0.024 0.000 1.284 478 G CA -0.734 44.403 45.100 0.062 0.000 0.985 478 G HN 0.668 nan 8.290 nan 0.000 0.504 479 E N -0.088 119.976 120.200 -0.227 0.000 2.175 479 E HA 0.588 4.954 4.350 0.027 0.000 0.278 479 E C -1.317 175.000 176.600 -0.472 0.000 0.969 479 E CA -0.163 56.121 56.400 -0.194 0.000 0.796 479 E CB 1.676 31.291 29.700 -0.141 0.000 1.104 479 E HN 0.396 nan 8.360 nan 0.000 0.395 480 Y N 0.056 120.324 120.300 -0.054 0.000 2.442 480 Y HA 0.317 4.883 4.550 0.027 0.000 0.344 480 Y C -0.186 175.679 175.900 -0.059 0.000 0.976 480 Y CA -0.932 57.131 58.100 -0.062 0.000 1.040 480 Y CB 1.970 40.372 38.460 -0.096 0.000 1.228 480 Y HN 0.105 nan 8.280 nan 0.000 0.451 481 V N 5.362 125.319 119.914 0.072 0.000 2.305 481 V HA 0.373 4.509 4.120 0.027 0.000 0.275 481 V C -0.673 175.396 176.094 -0.041 0.000 1.020 481 V CA -0.723 61.557 62.300 -0.034 0.000 0.811 481 V CB 0.662 32.443 31.823 -0.070 0.000 1.031 481 V HN 0.555 nan 8.190 nan 0.000 0.439 482 L N 4.279 125.455 121.223 -0.079 0.000 2.272 482 L HA 0.550 4.906 4.340 0.027 0.000 0.289 482 L C 0.161 176.877 176.870 -0.256 0.000 1.032 482 L CA -0.597 54.204 54.840 -0.065 0.000 0.810 482 L CB 0.811 42.882 42.059 0.020 0.000 1.205 482 L HN 0.524 nan 8.230 nan 0.000 0.422 483 H N 5.103 124.076 119.070 -0.163 0.000 2.864 483 H HA 0.293 4.865 4.556 0.027 0.000 0.281 483 H C -0.115 174.954 175.328 -0.432 0.000 1.093 483 H CA 0.014 55.901 56.048 -0.269 0.000 1.453 483 H CB 0.878 30.479 29.762 -0.269 0.000 1.462 483 H HN 0.508 nan 8.280 nan 0.000 0.480 484 M N 2.590 122.006 119.600 -0.307 0.000 2.255 484 M HA 0.118 4.614 4.480 0.027 0.000 0.336 484 M C -0.178 175.903 176.300 -0.365 0.000 1.135 484 M CA -0.198 54.906 55.300 -0.328 0.000 1.145 484 M CB 1.075 33.579 32.600 -0.159 0.000 1.473 484 M HN 0.427 nan 8.290 nan 0.000 0.462 485 W N 1.425 122.556 121.300 -0.281 0.000 2.315 485 W HA 0.353 5.030 4.660 0.027 0.000 0.316 485 W C 0.309 176.642 176.519 -0.310 0.000 1.211 485 W CA -0.287 56.823 57.345 -0.391 0.000 1.201 485 W CB 0.409 29.409 29.460 -0.766 0.000 1.184 485 W HN 0.517 nan 8.180 nan 0.000 0.544 486 Q N 2.354 122.217 119.800 0.105 0.000 2.260 486 Q HA 0.389 4.745 4.340 0.027 0.000 0.238 486 Q C -0.494 175.501 176.000 -0.008 0.000 0.948 486 Q CA -0.627 55.099 55.803 -0.128 0.000 0.895 486 Q CB 0.882 29.601 28.738 -0.031 0.000 1.218 486 Q HN 0.319 nan 8.270 nan 0.000 0.470 487 I N 1.784 122.290 120.570 -0.107 0.000 2.577 487 I HA 0.326 4.512 4.170 0.027 0.000 0.305 487 I C 0.204 176.320 176.117 -0.001 0.000 0.986 487 I CA -0.176 61.133 61.300 0.014 0.000 1.189 487 I CB 1.347 39.337 38.000 -0.016 0.000 1.355 487 I HN 0.794 nan 8.210 nan 0.000 0.476 488 S N 2.019 117.742 115.700 0.038 0.000 2.745 488 S HA 1.001 5.487 4.470 0.027 0.000 0.306 488 S C -0.159 174.465 174.600 0.040 0.000 1.137 488 S CA -0.180 58.042 58.200 0.037 0.000 0.900 488 S CB 2.327 65.560 63.200 0.054 0.000 1.176 488 S HN 1.404 nan 8.310 nan 0.000 0.520 498 N N 2.100 120.891 118.700 0.151 0.000 2.459 498 N HA 0.429 5.185 4.740 0.027 0.000 0.288 498 N C 0.466 175.995 175.510 0.031 0.000 1.186 498 N CA 0.444 53.529 53.050 0.059 0.000 0.917 498 N CB 1.824 40.318 38.487 0.013 0.000 1.219 498 N HN 0.332 nan 8.380 nan 0.000 0.525 499 A N 0.790 123.638 122.820 0.046 0.000 1.948 499 A HA -0.227 4.109 4.320 0.027 0.000 0.220 499 A C 1.395 179.019 177.584 0.067 0.000 1.177 499 A CA 1.774 53.836 52.037 0.040 0.000 0.636 499 A CB -0.625 18.263 19.000 -0.187 0.000 0.815 499 A HN 0.788 nan 8.150 nan 0.000 0.449 500 D N -0.201 120.157 120.400 -0.070 0.000 2.182 500 D HA -0.120 4.536 4.640 0.027 0.000 0.201 500 D C 1.642 177.803 176.300 -0.231 0.000 0.986 500 D CA 1.127 54.928 54.000 -0.331 0.000 0.847 500 D CB -0.267 39.980 40.800 -0.922 0.000 0.942 500 D HN 0.484 nan 8.370 nan 0.000 0.467 501 K N 0.031 120.286 120.400 -0.241 0.000 2.515 501 K HA 0.026 4.362 4.320 0.027 0.000 0.196 501 K C 1.661 178.152 176.600 -0.182 0.000 1.038 501 K CA 0.231 56.245 56.287 -0.454 0.000 0.967 501 K CB 0.195 32.363 32.500 -0.553 0.000 0.780 501 K HN 0.223 nan 8.250 nan 0.000 0.483 502 L N -0.240 120.966 121.223 -0.028 0.000 2.590 502 L HA 0.039 4.395 4.340 0.027 0.000 0.227 502 L C 1.157 178.053 176.870 0.043 0.000 1.099 502 L CA -0.115 54.743 54.840 0.029 0.000 0.872 502 L CB 0.294 42.406 42.059 0.089 0.000 1.088 502 L HN -0.045 nan 8.230 nan 0.000 0.479 503 T N -0.210 114.340 114.554 -0.007 0.000 2.946 503 T HA -0.071 4.295 4.350 0.027 0.000 0.312 503 T C 1.334 176.017 174.700 -0.027 0.000 1.066 503 T CA 0.633 62.631 62.100 -0.170 0.000 1.138 503 T CB 0.723 69.244 68.868 -0.579 0.000 1.014 503 T HN 0.393 nan 8.240 nan 0.000 0.544 504 S N 3.055 118.721 115.700 -0.057 0.000 2.548 504 S HA 0.364 4.850 4.470 0.027 0.000 0.215 504 S C 0.872 175.494 174.600 0.036 0.000 0.976 504 S CA -0.032 58.156 58.200 -0.019 0.000 0.908 504 S CB 0.135 63.263 63.200 -0.121 0.000 0.781 504 S HN 0.904 nan 8.310 nan 0.000 0.519 505 A N 2.635 125.483 122.820 0.046 0.000 2.401 505 A HA 0.553 4.889 4.320 0.027 0.000 0.259 505 A C 0.708 178.471 177.584 0.298 0.000 1.103 505 A CA -0.207 51.892 52.037 0.103 0.000 0.789 505 A CB 0.036 19.064 19.000 0.047 0.000 1.035 505 A HN 0.563 nan 8.150 nan 0.000 0.491 506 T N 0.561 115.156 114.554 0.069 0.000 2.918 506 T HA 0.323 4.689 4.350 0.027 0.000 0.283 506 T C 0.239 174.652 174.700 -0.479 0.000 1.001 506 T CA -0.948 61.058 62.100 -0.158 0.000 1.041 506 T CB 0.600 69.389 68.868 -0.132 0.000 1.028 506 T HN 0.561 nan 8.240 nan 0.000 0.511 507 N N 2.728 120.752 118.700 -1.125 0.000 2.440 507 N HA 0.109 4.865 4.740 0.027 0.000 0.265 507 N C -1.256 173.948 175.510 -0.511 0.000 1.239 507 N CA -1.958 50.336 53.050 -1.261 0.000 0.909 507 N CB 1.087 38.871 38.487 -1.171 0.000 1.066 507 N HN 0.426 nan 8.380 nan 0.000 0.474 508 P HA -0.066 nan 4.420 nan 0.000 0.222 508 P C -0.085 177.093 177.300 -0.204 0.000 1.153 508 P CA 0.668 63.667 63.100 -0.168 0.000 0.798 508 P CB 0.192 31.872 31.700 -0.034 0.000 0.796 509 D N 0.439 120.713 120.400 -0.209 0.000 2.338 509 D HA 0.050 4.706 4.640 0.027 0.000 0.255 509 D C 0.944 177.074 176.300 -0.284 0.000 1.237 509 D CA 0.106 53.996 54.000 -0.183 0.000 0.883 509 D CB 0.587 41.323 40.800 -0.106 0.000 1.087 509 D HN -0.044 nan 8.370 nan 0.000 0.485 510 K N 2.391 122.584 120.400 -0.344 0.000 2.276 510 K HA 0.052 4.388 4.320 0.027 0.000 0.198 510 K C 1.447 177.922 176.600 -0.210 0.000 1.052 510 K CA 0.094 56.068 56.287 -0.522 0.000 0.984 510 K CB 0.437 32.520 32.500 -0.696 0.000 0.836 510 K HN 0.428 nan 8.250 nan 0.000 0.490 511 E N 0.963 121.084 120.200 -0.131 0.000 2.267 511 E HA -0.156 4.210 4.350 0.027 0.000 0.197 511 E C 1.060 177.640 176.600 -0.033 0.000 0.998 511 E CA 0.919 57.282 56.400 -0.062 0.000 0.830 511 E CB 0.096 29.767 29.700 -0.049 0.000 0.751 511 E HN 0.319 nan 8.360 nan 0.000 0.491 512 N N -0.372 118.307 118.700 -0.036 0.000 2.529 512 N HA -0.034 4.722 4.740 0.027 0.000 0.231 512 N C 0.476 175.993 175.510 0.011 0.000 1.072 512 N CA 0.339 53.388 53.050 -0.002 0.000 0.854 512 N CB 0.184 38.676 38.487 0.008 0.000 1.465 512 N HN -0.042 nan 8.380 nan 0.000 0.452 513 S N 1.801 117.494 115.700 -0.012 0.000 2.558 513 S HA 0.084 4.570 4.470 0.027 0.000 0.293 513 S C 0.514 175.111 174.600 -0.005 0.000 1.292 513 S CA -0.440 57.759 58.200 -0.003 0.000 1.063 513 S CB 0.479 63.643 63.200 -0.060 0.000 0.831 513 S HN 0.234 nan 8.310 nan 0.000 0.499 514 M N 3.370 122.864 119.600 -0.178 0.000 2.245 514 M HA 0.391 4.887 4.480 0.027 0.000 0.344 514 M C 0.031 176.137 176.300 -0.322 0.000 1.170 514 M CA 0.596 55.653 55.300 -0.404 0.000 1.135 514 M CB 0.727 32.630 32.600 -1.161 0.000 1.574 514 M HN 0.799 nan 8.290 nan 0.000 0.452 515 S N 4.407 119.917 115.700 -0.317 0.000 2.566 515 S HA 0.835 5.321 4.470 0.027 0.000 0.298 515 S C -1.260 173.178 174.600 -0.270 0.000 1.083 515 S CA -0.945 57.019 58.200 -0.394 0.000 0.978 515 S CB 0.979 63.866 63.200 -0.522 0.000 1.073 515 S HN 0.809 nan 8.310 nan 0.000 0.491 516 I N 2.176 122.608 120.570 -0.230 0.000 2.582 516 I HA 0.578 4.764 4.170 0.027 0.000 0.292 516 I C -1.049 175.011 176.117 -0.096 0.000 1.066 516 I CA -0.072 61.150 61.300 -0.131 0.000 1.053 516 I CB 2.191 40.130 38.000 -0.100 0.000 1.241 516 I HN 0.591 nan 8.210 nan 0.000 0.421 517 S N 7.687 123.352 115.700 -0.059 0.000 2.473 517 S HA 0.742 5.228 4.470 0.027 0.000 0.307 517 S C -0.569 174.012 174.600 -0.031 0.000 1.094 517 S CA -0.574 57.602 58.200 -0.039 0.000 1.070 517 S CB 1.284 64.456 63.200 -0.047 0.000 1.019 517 S HN 0.556 nan 8.310 nan 0.000 0.480 518 I N -0.123 120.443 120.570 -0.006 0.000 3.174 518 I HA 0.824 5.010 4.170 0.027 0.000 0.313 518 I C -1.892 174.220 176.117 -0.007 0.000 1.155 518 I CA -1.422 59.864 61.300 -0.024 0.000 0.977 518 I CB 1.904 39.912 38.000 0.013 0.000 1.248 518 I HN 0.503 nan 8.210 nan 0.000 0.453 519 L N 3.545 124.720 121.223 -0.079 0.000 2.438 519 L HA 0.585 4.941 4.340 0.027 0.000 0.270 519 L C -1.871 175.041 176.870 0.070 0.000 0.972 519 L CA -0.464 54.358 54.840 -0.030 0.000 0.831 519 L CB 1.936 43.911 42.059 -0.139 0.000 1.273 519 L HN 0.509 nan 8.230 nan 0.000 0.405 520 L N 4.693 126.033 121.223 0.195 0.000 2.295 520 L HA 0.385 4.741 4.340 0.027 0.000 0.281 520 L C -0.432 176.576 176.870 0.230 0.000 1.018 520 L CA -0.443 54.532 54.840 0.226 0.000 0.841 520 L CB 0.932 43.136 42.059 0.242 0.000 1.218 520 L HN 0.654 nan 8.230 nan 0.000 0.424 521 D N 2.386 122.947 120.400 0.268 0.000 3.277 521 D HA -0.153 4.503 4.640 0.027 0.000 0.203 521 D C 0.876 177.250 176.300 0.124 0.000 1.057 521 D CA 0.930 55.036 54.000 0.177 0.000 0.751 521 D CB 0.296 41.107 40.800 0.017 0.000 1.155 521 D HN 0.722 nan 8.370 nan 0.000 0.536 522 N N 1.051 119.814 118.700 0.106 0.000 2.735 522 N HA 0.426 5.182 4.740 0.027 0.000 0.312 522 N C 0.495 176.034 175.510 0.049 0.000 1.843 522 N CA -0.210 52.887 53.050 0.078 0.000 0.945 522 N CB -0.482 38.050 38.487 0.075 0.000 1.299 522 N HN 0.515 nan 8.380 nan 0.000 0.489 527 I N 1.963 122.540 120.570 0.013 0.000 2.388 527 I HA 0.644 4.831 4.170 0.027 0.000 0.281 527 I C 0.408 176.520 176.117 -0.008 0.000 1.046 527 I CA -0.450 60.854 61.300 0.007 0.000 1.187 527 I CB 1.395 39.414 38.000 0.032 0.000 1.351 527 I HN 0.443 nan 8.210 nan 0.000 0.472 528 A N 6.080 128.877 122.820 -0.038 0.000 2.295 528 A HA 0.724 5.060 4.320 0.027 0.000 0.318 528 A C -0.754 176.758 177.584 -0.119 0.000 1.134 528 A CA -0.544 51.463 52.037 -0.050 0.000 0.827 528 A CB 1.173 20.138 19.000 -0.059 0.000 1.136 528 A HN 0.641 nan 8.150 nan 0.000 0.493 529 L N 3.221 124.402 121.223 -0.070 0.000 2.276 529 L HA 0.536 4.892 4.340 0.027 0.000 0.286 529 L C -2.180 174.526 176.870 -0.274 0.000 1.061 529 L CA -1.411 53.316 54.840 -0.187 0.000 0.807 529 L CB 0.536 42.625 42.059 0.050 0.000 1.177 529 L HN 0.449 nan 8.230 nan 0.000 0.429 545 A N 0.431 123.222 122.820 -0.049 0.000 3.884 545 A HA 0.643 4.979 4.320 0.027 0.000 0.170 545 A C -0.329 177.267 177.584 0.021 0.000 0.825 545 A CA -0.244 51.784 52.037 -0.016 0.000 0.978 545 A CB 0.599 19.593 19.000 -0.010 0.000 1.566 545 A HN 0.129 nan 8.150 nan 0.000 0.770 546 E N -0.841 119.383 120.200 0.041 0.000 3.262 546 E HA 0.724 5.090 4.350 0.027 0.000 0.257 546 E C -0.599 176.048 176.600 0.079 0.000 1.195 546 E CA -0.300 56.124 56.400 0.041 0.000 1.160 546 E CB 0.873 30.588 29.700 0.025 0.000 1.416 546 E HN 0.528 nan 8.360 nan 0.000 0.630 547 M N 0.458 120.074 119.600 0.026 0.000 2.389 547 M HA 0.307 4.804 4.480 0.027 0.000 0.291 547 M C -2.419 173.844 176.300 -0.061 0.000 1.128 547 M CA -1.374 53.902 55.300 -0.039 0.000 0.942 547 M CB 1.474 33.932 32.600 -0.236 0.000 1.783 547 M HN 0.385 nan 8.290 nan 0.000 0.501 548 P HA 0.184 nan 4.420 nan 0.000 0.316 548 P C -0.527 176.733 177.300 -0.067 0.000 1.413 548 P CA 0.444 63.522 63.100 -0.036 0.000 0.828 548 P CB 0.333 32.027 31.700 -0.010 0.000 1.787 549 N N -3.157 115.510 118.700 -0.054 0.000 2.594 549 N HA -0.046 4.710 4.740 0.027 0.000 0.237 549 N C 1.491 176.965 175.510 -0.061 0.000 1.057 549 N CA -0.014 53.003 53.050 -0.056 0.000 0.883 549 N CB -0.215 38.250 38.487 -0.036 0.000 1.538 549 N HN 0.120 nan 8.380 nan 0.000 0.451 550 Q N 0.542 120.314 119.800 -0.046 0.000 2.297 550 Q HA 0.131 4.487 4.340 0.027 0.000 0.204 550 Q C 1.444 177.411 176.000 -0.054 0.000 0.962 550 Q CA 1.168 56.947 55.803 -0.040 0.000 0.879 550 Q CB -0.049 28.676 28.738 -0.022 0.000 0.947 550 Q HN 0.446 nan 8.270 nan 0.000 0.462 551 L N -0.630 120.545 121.223 -0.080 0.000 2.068 551 L HA -0.040 4.316 4.340 0.027 0.000 0.204 551 L C 2.581 179.332 176.870 -0.198 0.000 1.076 551 L CA 1.353 56.120 54.840 -0.123 0.000 0.753 551 L CB -0.464 41.498 42.059 -0.162 0.000 0.910 551 L HN 0.220 nan 8.230 nan 0.000 0.439 552 R N 0.700 121.068 120.500 -0.221 0.000 2.091 552 R HA -0.214 4.143 4.340 0.027 0.000 0.238 552 R C 2.257 178.475 176.300 -0.136 0.000 1.136 552 R CA 1.603 57.582 56.100 -0.201 0.000 0.959 552 R CB 0.050 30.257 30.300 -0.155 0.000 0.856 552 R HN 0.041 nan 8.270 nan 0.000 0.437 553 K N 0.444 120.784 120.400 -0.100 0.000 2.097 553 K HA -0.140 4.196 4.320 0.027 0.000 0.205 553 K C 2.009 178.570 176.600 -0.066 0.000 1.050 553 K CA 1.530 57.773 56.287 -0.074 0.000 0.938 553 K CB -0.211 32.257 32.500 -0.055 0.000 0.718 553 K HN 0.316 nan 8.250 nan 0.000 0.442 554 Q N -0.043 119.721 119.800 -0.060 0.000 2.079 554 Q HA -0.118 4.238 4.340 0.027 0.000 0.200 554 Q C 1.964 177.938 176.000 -0.044 0.000 0.974 554 Q CA 1.145 56.925 55.803 -0.039 0.000 0.840 554 Q CB -0.097 28.630 28.738 -0.018 0.000 0.898 554 Q HN 0.202 nan 8.270 nan 0.000 0.430 555 L N 1.248 122.429 121.223 -0.070 0.000 2.046 555 L HA -0.187 4.169 4.340 0.027 0.000 0.208 555 L C 1.950 178.757 176.870 -0.104 0.000 1.077 555 L CA 1.913 56.709 54.840 -0.074 0.000 0.747 555 L CB -0.264 41.727 42.059 -0.113 0.000 0.896 555 L HN 0.239 nan 8.230 nan 0.000 0.432 556 E N -0.844 119.279 120.200 -0.129 0.000 2.110 556 E HA -0.207 4.159 4.350 0.027 0.000 0.193 556 E C 2.138 178.681 176.600 -0.095 0.000 0.988 556 E CA 1.023 57.336 56.400 -0.145 0.000 0.804 556 E CB -0.269 29.354 29.700 -0.127 0.000 0.745 556 E HN 0.638 nan 8.360 nan 0.000 0.458 557 A N 0.652 123.432 122.820 -0.067 0.000 2.015 557 A HA -0.134 4.202 4.320 0.027 0.000 0.219 557 A C 2.035 179.598 177.584 -0.034 0.000 1.163 557 A CA 0.893 52.903 52.037 -0.046 0.000 0.646 557 A CB -0.368 18.611 19.000 -0.036 0.000 0.806 557 A HN 0.137 nan 8.150 nan 0.000 0.448 558 I N -0.598 119.952 120.570 -0.033 0.000 2.235 558 I HA -0.158 4.029 4.170 0.027 0.000 0.241 558 I C 2.175 178.285 176.117 -0.011 0.000 1.085 558 I CA 0.993 62.286 61.300 -0.012 0.000 1.378 558 I CB -0.289 37.712 38.000 0.003 0.000 1.076 558 I HN 0.238 nan 8.210 nan 0.000 0.415 559 I N 1.051 121.600 120.570 -0.036 0.000 2.264 559 I HA -0.322 3.864 4.170 0.027 0.000 0.248 559 I C 2.784 178.891 176.117 -0.016 0.000 1.111 559 I CA 1.385 62.669 61.300 -0.027 0.000 1.382 559 I CB -0.561 37.380 38.000 -0.099 0.000 1.060 559 I HN 0.212 nan 8.210 nan 0.000 0.418 560 A N -0.201 122.596 122.820 -0.037 0.000 1.858 560 A HA -0.161 4.175 4.320 0.027 0.000 0.216 560 A C 1.677 179.248 177.584 -0.022 0.000 1.190 560 A CA 1.553 53.569 52.037 -0.035 0.000 0.617 560 A CB -0.949 18.024 19.000 -0.045 0.000 0.827 560 A HN 0.376 nan 8.150 nan 0.000 0.443 561 T N 1.522 116.066 114.554 -0.016 0.000 2.872 561 T HA 0.134 4.500 4.350 0.027 0.000 0.292 561 T C 0.271 174.971 174.700 -0.000 0.000 1.036 561 T CA 0.597 62.691 62.100 -0.010 0.000 1.136 561 T CB -0.583 68.283 68.868 -0.005 0.000 1.052 561 T HN 0.634 nan 8.240 nan 0.000 0.512 562 D N 4.885 125.280 120.400 -0.008 0.000 2.346 562 D HA 0.095 4.752 4.640 0.027 0.000 0.236 562 D C -1.592 174.719 176.300 0.019 0.000 1.259 562 D CA -1.014 52.984 54.000 -0.004 0.000 0.898 562 D CB 0.154 40.941 40.800 -0.021 0.000 1.178 562 D HN 0.227 nan 8.370 nan 0.000 0.457 563 P HA -0.047 nan 4.420 nan 0.000 0.220 563 P C 0.972 178.300 177.300 0.047 0.000 1.148 563 P CA 0.984 64.115 63.100 0.053 0.000 0.803 563 P CB 0.079 31.813 31.700 0.057 0.000 0.782 564 L N -1.906 119.333 121.223 0.028 0.000 2.592 564 L HA 0.102 4.458 4.340 0.027 0.000 0.227 564 L C 0.887 177.766 176.870 0.014 0.000 1.127 564 L CA -0.212 54.641 54.840 0.022 0.000 0.884 564 L CB -0.778 41.293 42.059 0.019 0.000 1.065 564 L HN -0.056 nan 8.230 nan 0.000 0.457 565 N N 1.545 120.253 118.700 0.013 0.000 2.452 565 N HA 0.132 4.888 4.740 0.027 0.000 0.266 565 N C -2.356 173.165 175.510 0.018 0.000 1.175 565 N CA -1.070 51.985 53.050 0.010 0.000 0.945 565 N CB 0.707 39.197 38.487 0.005 0.000 1.063 565 N HN -0.127 nan 8.380 nan 0.000 0.472 566 P HA 0.132 nan 4.420 nan 0.000 0.272 566 P C -0.818 176.494 177.300 0.020 0.000 1.230 566 P CA -0.120 62.990 63.100 0.017 0.000 0.788 566 P CB 0.666 32.374 31.700 0.013 0.000 0.949 567 L N 1.180 122.417 121.223 0.023 0.000 2.272 567 L HA 0.327 4.683 4.340 0.027 0.000 0.289 567 L C 1.059 177.941 176.870 0.020 0.000 1.032 567 L CA -0.463 54.392 54.840 0.027 0.000 0.810 567 L CB 1.425 43.507 42.059 0.038 0.000 1.205 567 L HN 0.392 nan 8.230 nan 0.000 0.422 568 T N 1.640 116.205 114.554 0.018 0.000 2.766 568 T HA 0.229 4.595 4.350 0.027 0.000 0.295 568 T C 1.327 176.034 174.700 0.013 0.000 1.024 568 T CA 0.323 62.431 62.100 0.013 0.000 1.018 568 T CB 1.293 70.168 68.868 0.011 0.000 1.002 568 T HN 0.707 nan 8.240 nan 0.000 0.532 569 A N 1.554 124.378 122.820 0.006 0.000 1.902 569 A HA -0.052 4.284 4.320 0.027 0.000 0.217 569 A C 2.289 179.878 177.584 0.008 0.000 1.181 569 A CA 1.671 53.709 52.037 0.001 0.000 0.623 569 A CB -0.862 18.134 19.000 -0.007 0.000 0.818 569 A HN 0.932 nan 8.150 nan 0.000 0.443 570 E N 0.148 120.355 120.200 0.012 0.000 2.051 570 E HA -0.218 4.148 4.350 0.027 0.000 0.192 570 E C 1.460 178.082 176.600 0.036 0.000 0.991 570 E CA 1.562 57.974 56.400 0.019 0.000 0.799 570 E CB -0.257 29.452 29.700 0.015 0.000 0.748 570 E HN 0.533 nan 8.360 nan 0.000 0.449 571 D N 0.500 120.921 120.400 0.035 0.000 2.092 571 D HA -0.141 4.516 4.640 0.027 0.000 0.193 571 D C 2.019 178.355 176.300 0.061 0.000 0.994 571 D CA 1.199 55.226 54.000 0.045 0.000 0.828 571 D CB -0.104 40.716 40.800 0.034 0.000 0.963 571 D HN 0.165 nan 8.370 nan 0.000 0.450 572 K N 0.595 121.026 120.400 0.051 0.000 2.009 572 K HA -0.132 4.204 4.320 0.027 0.000 0.210 572 K C 2.131 178.787 176.600 0.092 0.000 1.049 572 K CA 1.013 57.336 56.287 0.059 0.000 0.929 572 K CB -0.183 32.331 32.500 0.024 0.000 0.714 572 K HN 0.210 nan 8.250 nan 0.000 0.440 573 E N 0.907 121.149 120.200 0.071 0.000 2.219 573 E HA -0.187 4.179 4.350 0.027 0.000 0.198 573 E C 2.028 178.712 176.600 0.140 0.000 0.998 573 E CA 0.680 57.137 56.400 0.095 0.000 0.818 573 E CB -0.013 29.709 29.700 0.037 0.000 0.741 573 E HN 0.260 nan 8.360 nan 0.000 0.477 574 L N 0.430 121.735 121.223 0.136 0.000 2.023 574 L HA -0.158 4.198 4.340 0.027 0.000 0.205 574 L C 2.243 179.255 176.870 0.236 0.000 1.073 574 L CA 0.645 55.608 54.840 0.205 0.000 0.745 574 L CB -0.155 42.010 42.059 0.177 0.000 0.900 574 L HN 0.243 nan 8.230 nan 0.000 0.435 575 L N -0.670 120.650 121.223 0.161 0.000 2.042 575 L HA -0.319 4.037 4.340 0.027 0.000 0.210 575 L C 2.295 179.211 176.870 0.076 0.000 1.076 575 L CA 1.935 56.841 54.840 0.110 0.000 0.749 575 L CB -1.497 40.606 42.059 0.072 0.000 0.893 575 L HN 0.586 nan 8.230 nan 0.000 0.432 576 W N 0.369 121.638 121.300 -0.052 0.000 2.380 576 W HA -0.246 4.424 4.660 0.017 0.000 0.317 576 W C 2.712 179.175 176.519 -0.093 0.000 1.196 576 W CA 1.736 59.018 57.345 -0.104 0.000 1.307 576 W CB -0.651 28.743 29.460 -0.109 0.000 1.157 576 W HN 0.333 nan 8.180 nan 0.000 0.483 577 H N -0.561 118.386 119.070 -0.204 0.000 2.353 577 H HA -0.205 4.372 4.556 0.035 0.000 0.298 577 H C 0.617 175.593 175.328 -0.587 0.000 1.103 577 H CA 1.911 57.693 56.048 -0.444 0.000 1.293 577 H CB -0.783 28.690 29.762 -0.482 0.000 1.372 577 H HN 0.032 nan 8.280 nan 0.000 0.501 578 F N 1.719 121.599 119.950 -0.118 0.000 2.974 578 F HA 0.177 4.695 4.527 -0.014 0.000 0.292 578 F C 1.931 177.624 175.800 -0.178 0.000 1.209 578 F CA -0.495 57.428 58.000 -0.128 0.000 1.366 578 F CB 0.121 39.109 39.000 -0.020 0.000 1.033 578 F HN 0.155 nan 8.300 nan 0.000 0.516 579 R N -1.109 119.240 120.500 -0.251 0.000 2.096 579 R HA -0.195 4.161 4.340 0.027 0.000 0.235 579 R C 1.043 177.118 176.300 -0.375 0.000 1.127 579 R CA 1.660 57.512 56.100 -0.414 0.000 0.968 579 R CB -0.925 28.891 30.300 -0.806 0.000 0.861 579 R HN 0.308 nan 8.270 nan 0.000 0.440 580 Y N 1.144 121.312 120.300 -0.221 0.000 2.293 580 Y HA -0.099 4.464 4.550 0.023 0.000 0.291 580 Y C 2.413 178.281 175.900 -0.054 0.000 1.137 580 Y CA 1.486 59.504 58.100 -0.137 0.000 1.202 580 Y CB -0.039 38.342 38.460 -0.133 0.000 0.990 580 Y HN 0.158 nan 8.280 nan 0.000 0.537 581 E N -0.444 119.831 120.200 0.125 0.000 2.158 581 E HA -0.077 4.289 4.350 0.027 0.000 0.191 581 E C 2.163 178.859 176.600 0.160 0.000 0.982 581 E CA 1.087 57.564 56.400 0.128 0.000 0.823 581 E CB -0.126 29.652 29.700 0.131 0.000 0.766 581 E HN 0.171 nan 8.360 nan 0.000 0.468 582 S N 0.127 115.878 115.700 0.085 0.000 2.428 582 S HA -0.074 4.412 4.470 0.027 0.000 0.230 582 S C 1.608 176.243 174.600 0.058 0.000 1.014 582 S CA 0.439 58.689 58.200 0.083 0.000 0.957 582 S CB -0.152 63.014 63.200 -0.057 0.000 0.784 582 S HN 0.190 nan 8.310 nan 0.000 0.499 583 L N 1.903 123.082 121.223 -0.073 0.000 2.201 583 L HA 0.047 4.403 4.340 0.027 0.000 0.212 583 L C 1.866 178.844 176.870 0.180 0.000 1.105 583 L CA 1.502 56.298 54.840 -0.073 0.000 0.775 583 L CB -0.357 41.597 42.059 -0.175 0.000 0.913 583 L HN 0.134 nan 8.230 nan 0.000 0.440 584 K N -1.160 119.270 120.400 0.050 0.000 2.362 584 K HA -0.041 4.295 4.320 0.027 0.000 0.200 584 K C -0.105 176.343 176.600 -0.253 0.000 1.046 584 K CA 0.569 56.779 56.287 -0.127 0.000 0.952 584 K CB -0.168 32.154 32.500 -0.297 0.000 0.753 584 K HN 0.441 nan 8.250 nan 0.000 0.466 585 H N 0.304 119.496 119.070 0.203 0.000 2.673 585 H HA 0.129 4.703 4.556 0.030 0.000 0.293 585 H C -2.149 173.385 175.328 0.344 0.000 1.065 585 H CA -2.213 53.950 56.048 0.190 0.000 1.236 585 H CB 1.419 31.252 29.762 0.119 0.000 1.389 585 H HN -0.096 nan 8.280 nan 0.000 0.481 586 P HA -0.157 nan 4.420 nan 0.000 0.218 586 P C 1.514 179.028 177.300 0.356 0.000 1.146 586 P CA 1.254 64.474 63.100 0.200 0.000 0.813 586 P CB 0.409 32.015 31.700 -0.157 0.000 0.778 587 K N -0.730 119.824 120.400 0.257 0.000 2.280 587 K HA -0.040 4.296 4.320 0.027 0.000 0.202 587 K C 1.893 178.645 176.600 0.253 0.000 1.047 587 K CA 1.093 57.502 56.287 0.203 0.000 0.942 587 K CB -0.362 32.207 32.500 0.115 0.000 0.739 587 K HN 0.051 nan 8.250 nan 0.000 0.457 588 A N -0.344 122.681 122.820 0.342 0.000 2.123 588 A HA -0.054 4.282 4.320 0.027 0.000 0.214 588 A C 1.346 179.096 177.584 0.276 0.000 1.152 588 A CA 0.501 52.689 52.037 0.251 0.000 0.728 588 A CB -0.372 18.742 19.000 0.190 0.000 0.814 588 A HN 0.211 nan 8.150 nan 0.000 0.464 589 Y N 0.714 121.130 120.300 0.194 0.000 2.114 589 Y HA -0.158 4.409 4.550 0.028 0.000 0.282 589 Y C -0.220 175.856 175.900 0.294 0.000 1.165 589 Y CA 2.266 60.512 58.100 0.244 0.000 1.148 589 Y CB -1.880 36.683 38.460 0.172 0.000 0.972 589 Y HN 0.308 nan 8.280 nan 0.000 0.504 590 P HA -0.133 nan 4.420 nan 0.000 0.216 590 P C 1.169 178.739 177.300 0.450 0.000 1.153 590 P CA 2.064 65.355 63.100 0.318 0.000 0.848 590 P CB 0.015 31.860 31.700 0.241 0.000 0.787 591 K N -0.961 119.607 120.400 0.280 0.000 2.103 591 K HA -0.069 4.267 4.320 0.027 0.000 0.204 591 K C 1.966 178.657 176.600 0.152 0.000 1.052 591 K CA 0.800 57.206 56.287 0.199 0.000 0.945 591 K CB -0.841 31.736 32.500 0.128 0.000 0.722 591 K HN 0.032 nan 8.250 nan 0.000 0.443 592 L N 0.280 121.542 121.223 0.064 0.000 2.027 592 L HA -0.057 4.300 4.340 0.027 0.000 0.206 592 L C 1.638 178.427 176.870 -0.136 0.000 1.074 592 L CA 1.723 56.487 54.840 -0.126 0.000 0.745 592 L CB -0.425 41.402 42.059 -0.387 0.000 0.898 592 L HN 0.059 nan 8.230 nan 0.000 0.433 593 F N -0.709 119.379 119.950 0.231 0.000 2.502 593 F HA -0.032 4.514 4.527 0.033 0.000 0.298 593 F C 2.317 178.432 175.800 0.525 0.000 1.111 593 F CA 0.931 59.173 58.000 0.402 0.000 1.445 593 F CB -0.374 38.897 39.000 0.452 0.000 1.081 593 F HN 0.062 nan 8.300 nan 0.000 0.558 594 S N -1.254 114.748 115.700 0.503 0.000 2.470 594 S HA -0.070 4.416 4.470 0.027 0.000 0.225 594 S C 1.928 176.626 174.600 0.163 0.000 1.006 594 S CA 0.693 59.063 58.200 0.284 0.000 0.934 594 S CB -0.109 63.196 63.200 0.175 0.000 0.778 594 S HN 0.186 nan 8.310 nan 0.000 0.517 595 S N 1.253 117.022 115.700 0.115 0.000 2.603 595 S HA 0.133 4.619 4.470 0.027 0.000 0.220 595 S C 0.561 175.078 174.600 -0.137 0.000 0.967 595 S CA 0.015 58.229 58.200 0.024 0.000 0.920 595 S CB -0.005 63.241 63.200 0.076 0.000 0.773 595 S HN 0.207 nan 8.310 nan 0.000 0.529 596 V N 2.861 122.651 119.914 -0.207 0.000 2.508 596 V HA 0.124 4.260 4.120 0.027 0.000 0.281 596 V C 0.348 176.021 176.094 -0.702 0.000 1.041 596 V CA -0.239 61.649 62.300 -0.686 0.000 1.016 596 V CB 0.779 31.996 31.823 -1.010 0.000 0.984 596 V HN 0.216 nan 8.190 nan 0.000 0.478 597 K N 4.846 124.806 120.400 -0.734 0.000 2.171 597 K HA 0.120 4.456 4.320 0.027 0.000 0.274 597 K C 0.127 176.443 176.600 -0.472 0.000 1.110 597 K CA 0.112 56.120 56.287 -0.466 0.000 0.952 597 K CB 0.221 32.454 32.500 -0.444 0.000 1.309 597 K HN 0.697 nan 8.250 nan 0.000 0.414 598 W N 0.966 122.147 121.300 -0.198 0.000 2.519 598 W HA -0.020 4.658 4.660 0.030 0.000 0.266 598 W C 1.864 178.205 176.519 -0.297 0.000 1.253 598 W CA 0.117 57.302 57.345 -0.266 0.000 1.274 598 W CB 0.227 29.486 29.460 -0.334 0.000 1.114 598 W HN 0.633 nan 8.180 nan 0.000 0.596 599 G N -0.002 108.766 108.800 -0.053 0.000 3.155 599 G HA2 0.028 4.004 3.960 0.027 0.000 0.213 599 G HA3 0.028 4.004 3.960 0.027 0.000 0.213 599 G C 0.199 175.032 174.900 -0.112 0.000 1.196 599 G CA -0.146 44.906 45.100 -0.079 0.000 0.846 599 G HN 0.176 nan 8.290 nan 0.000 0.516 600 Q N -0.526 119.175 119.800 -0.165 0.000 2.294 600 Q HA 0.187 4.544 4.340 0.027 0.000 0.264 600 Q C 0.667 176.528 176.000 -0.231 0.000 0.992 600 Q CA -0.630 55.058 55.803 -0.191 0.000 0.747 600 Q CB 1.988 30.593 28.738 -0.223 0.000 1.262 600 Q HN 0.194 nan 8.270 nan 0.000 0.452 601 Q N 2.664 122.323 119.800 -0.235 0.000 2.082 601 Q HA -0.290 4.066 4.340 0.027 0.000 0.211 601 Q C 0.971 176.747 176.000 -0.373 0.000 1.002 601 Q CA 2.493 58.084 55.803 -0.353 0.000 0.868 601 Q CB 0.171 28.636 28.738 -0.455 0.000 0.931 601 Q HN 0.693 nan 8.270 nan 0.000 0.414 602 E N -0.381 119.644 120.200 -0.292 0.000 2.110 602 E HA -0.163 4.203 4.350 0.027 0.000 0.193 602 E C 2.005 178.493 176.600 -0.186 0.000 0.988 602 E CA 1.132 57.396 56.400 -0.226 0.000 0.804 602 E CB -0.136 29.468 29.700 -0.159 0.000 0.745 602 E HN 0.435 nan 8.360 nan 0.000 0.458 603 I N 0.859 121.284 120.570 -0.242 0.000 2.113 603 I HA -0.216 3.970 4.170 0.027 0.000 0.238 603 I C 2.573 178.524 176.117 -0.277 0.000 1.070 603 I CA 0.943 62.062 61.300 -0.302 0.000 1.332 603 I CB -1.271 36.384 38.000 -0.574 0.000 1.044 603 I HN -0.022 nan 8.210 nan 0.000 0.402 604 V N 1.649 121.343 119.914 -0.367 0.000 2.324 604 V HA -0.329 3.807 4.120 0.027 0.000 0.250 604 V C 2.867 178.715 176.094 -0.410 0.000 1.060 604 V CA 2.009 64.073 62.300 -0.392 0.000 1.042 604 V CB -1.347 30.295 31.823 -0.301 0.000 0.650 604 V HN 0.490 nan 8.190 nan 0.000 0.450 605 A N -0.067 122.560 122.820 -0.322 0.000 1.865 605 A HA -0.277 4.059 4.320 0.027 0.000 0.217 605 A C 2.292 179.866 177.584 -0.016 0.000 1.191 605 A CA 2.242 54.160 52.037 -0.199 0.000 0.623 605 A CB -0.513 18.362 19.000 -0.208 0.000 0.826 605 A HN 0.571 nan 8.150 nan 0.000 0.444 606 K N -0.835 119.583 120.400 0.030 0.000 2.147 606 K HA -0.093 4.243 4.320 0.027 0.000 0.205 606 K C 2.013 178.707 176.600 0.155 0.000 1.049 606 K CA 1.659 58.018 56.287 0.120 0.000 0.936 606 K CB -0.411 32.216 32.500 0.211 0.000 0.722 606 K HN 0.541 nan 8.250 nan 0.000 0.446 607 T N 0.489 115.174 114.554 0.217 0.000 2.821 607 T HA -0.126 4.240 4.350 0.027 0.000 0.267 607 T C 1.685 176.657 174.700 0.454 0.000 1.046 607 T CA 1.125 63.406 62.100 0.302 0.000 1.139 607 T CB -0.305 68.691 68.868 0.213 0.000 0.871 607 T HN 0.322 nan 8.240 nan 0.000 0.454 608 Y N 1.314 121.705 120.300 0.152 0.000 2.314 608 Y HA -0.057 4.508 4.550 0.026 0.000 0.293 608 Y C 2.958 178.921 175.900 0.106 0.000 1.129 608 Y CA 0.182 58.369 58.100 0.146 0.000 1.201 608 Y CB -0.130 38.424 38.460 0.157 0.000 0.999 608 Y HN 0.241 nan 8.280 nan 0.000 0.541 609 Q N 0.187 120.135 119.800 0.247 0.000 2.124 609 Q HA -0.199 4.157 4.340 0.027 0.000 0.202 609 Q C 2.303 178.371 176.000 0.114 0.000 0.977 609 Q CA 1.059 56.959 55.803 0.161 0.000 0.850 609 Q CB -0.038 28.781 28.738 0.135 0.000 0.901 609 Q HN 0.515 nan 8.270 nan 0.000 0.429 610 L N 0.388 121.640 121.223 0.049 0.000 2.093 610 L HA -0.149 4.207 4.340 0.027 0.000 0.208 610 L C 2.048 178.925 176.870 0.012 0.000 1.085 610 L CA 1.021 55.790 54.840 -0.119 0.000 0.755 610 L CB -0.129 41.802 42.059 -0.213 0.000 0.904 610 L HN 0.347 nan 8.230 nan 0.000 0.435 611 L N -0.758 120.540 121.223 0.125 0.000 2.217 611 L HA -0.129 4.227 4.340 0.027 0.000 0.211 611 L C 2.688 179.600 176.870 0.070 0.000 1.107 611 L CA 0.797 55.696 54.840 0.099 0.000 0.783 611 L CB -0.480 41.595 42.059 0.028 0.000 0.919 611 L HN 0.243 nan 8.230 nan 0.000 0.442 612 A N -0.413 122.456 122.820 0.082 0.000 1.969 612 A HA -0.080 4.256 4.320 0.027 0.000 0.218 612 A C 1.470 179.107 177.584 0.088 0.000 1.169 612 A CA 0.839 52.924 52.037 0.080 0.000 0.635 612 A CB -0.145 18.909 19.000 0.091 0.000 0.810 612 A HN 0.218 nan 8.150 nan 0.000 0.445 613 R N 0.199 120.756 120.500 0.094 0.000 4.518 613 R HA 0.186 4.542 4.340 0.027 0.000 0.243 613 R C 0.326 176.699 176.300 0.122 0.000 1.720 613 R CA -0.018 56.146 56.100 0.106 0.000 1.526 613 R CB -0.443 29.936 30.300 0.132 0.000 1.425 613 R HN 0.430 nan 8.270 nan 0.000 0.787 614 R N 1.356 121.941 120.500 0.142 0.000 2.466 614 R HA 0.014 4.370 4.340 0.027 0.000 0.279 614 R C 0.721 177.148 176.300 0.211 0.000 0.976 614 R CA -0.035 56.194 56.100 0.214 0.000 1.081 614 R CB 0.435 30.850 30.300 0.192 0.000 1.215 614 R HN 0.240 nan 8.270 nan 0.000 0.546 615 E N 0.305 120.592 120.200 0.146 0.000 2.095 615 E HA -0.255 4.111 4.350 0.027 0.000 0.212 615 E C 1.789 178.451 176.600 0.103 0.000 1.044 615 E CA 1.644 58.107 56.400 0.106 0.000 0.857 615 E CB -0.651 29.094 29.700 0.076 0.000 0.764 615 E HN 0.131 nan 8.360 nan 0.000 0.462 616 V N 1.461 121.446 119.914 0.119 0.000 2.252 616 V HA -0.246 3.890 4.120 0.027 0.000 0.249 616 V C 2.232 178.366 176.094 0.067 0.000 1.056 616 V CA 2.170 64.521 62.300 0.084 0.000 1.022 616 V CB -0.835 31.040 31.823 0.086 0.000 0.641 616 V HN 0.420 nan 8.190 nan 0.000 0.445 617 W N 1.578 122.844 121.300 -0.056 0.000 2.329 617 W HA -0.219 4.456 4.660 0.025 0.000 0.324 617 W C 2.235 178.675 176.519 -0.132 0.000 1.222 617 W CA 2.254 59.476 57.345 -0.204 0.000 1.270 617 W CB -0.614 28.670 29.460 -0.293 0.000 1.167 617 W HN 0.361 nan 8.180 nan 0.000 0.467 618 D N 0.166 120.649 120.400 0.138 0.000 2.228 618 D HA -0.239 4.417 4.640 0.027 0.000 0.203 618 D C 2.033 178.294 176.300 -0.065 0.000 0.988 618 D CA 1.697 55.726 54.000 0.048 0.000 0.864 618 D CB -0.524 40.346 40.800 0.117 0.000 0.928 618 D HN 0.439 nan 8.370 nan 0.000 0.469 619 Q N 0.405 120.163 119.800 -0.069 0.000 2.061 619 Q HA -0.007 4.349 4.340 0.027 0.000 0.195 619 Q C 0.836 176.756 176.000 -0.133 0.000 0.967 619 Q CA 0.414 56.170 55.803 -0.077 0.000 0.829 619 Q CB 0.129 28.842 28.738 -0.041 0.000 0.900 619 Q HN 0.222 nan 8.270 nan 0.000 0.450 620 S N 0.659 116.247 115.700 -0.187 0.000 2.550 620 S HA 0.147 4.634 4.470 0.027 0.000 0.285 620 S C 0.156 174.608 174.600 -0.247 0.000 1.326 620 S CA -0.306 57.763 58.200 -0.220 0.000 1.037 620 S CB 0.583 63.617 63.200 -0.277 0.000 0.838 620 S HN 0.330 nan 8.310 nan 0.000 0.519 621 A N 2.153 124.857 122.820 -0.194 0.000 2.483 621 A HA 0.415 4.751 4.320 0.027 0.000 0.238 621 A C 0.288 177.733 177.584 -0.232 0.000 1.070 621 A CA -0.623 51.310 52.037 -0.173 0.000 0.770 621 A CB -0.189 18.738 19.000 -0.121 0.000 1.008 621 A HN 1.195 nan 8.150 nan 0.000 0.497 622 L N 1.692 122.792 121.223 -0.205 0.000 2.559 622 L HA 0.162 4.518 4.340 0.027 0.000 0.274 622 L C -0.167 176.582 176.870 -0.203 0.000 1.205 622 L CA 0.718 55.421 54.840 -0.228 0.000 0.907 622 L CB 0.219 42.184 42.059 -0.157 0.000 1.153 622 L HN 0.647 nan 8.230 nan 0.000 0.490 623 D N 4.192 124.443 120.400 -0.248 0.000 2.438 623 D HA 0.138 4.794 4.640 0.027 0.000 0.257 623 D C 0.968 177.156 176.300 -0.186 0.000 1.148 623 D CA -0.308 53.577 54.000 -0.192 0.000 0.902 623 D CB 1.251 41.931 40.800 -0.200 0.000 1.062 623 D HN 0.438 nan 8.370 nan 0.000 0.518 624 V N 3.481 123.273 119.914 -0.204 0.000 2.282 624 V HA -0.206 3.931 4.120 0.027 0.000 0.249 624 V C 2.557 178.518 176.094 -0.222 0.000 1.057 624 V CA 2.396 64.515 62.300 -0.302 0.000 1.032 624 V CB -0.625 30.842 31.823 -0.593 0.000 0.645 624 V HN 0.654 nan 8.190 nan 0.000 0.447 625 G N -0.708 108.008 108.800 -0.140 0.000 2.476 625 G HA2 -0.261 3.715 3.960 0.027 0.000 0.218 625 G HA3 -0.261 3.715 3.960 0.027 0.000 0.218 625 G C 1.630 176.507 174.900 -0.038 0.000 1.164 625 G CA 1.099 46.160 45.100 -0.064 0.000 0.768 625 G HN 0.437 nan 8.290 nan 0.000 0.560 626 L N 0.466 121.666 121.223 -0.039 0.000 2.056 626 L HA -0.067 4.289 4.340 0.027 0.000 0.207 626 L C 3.026 179.922 176.870 0.042 0.000 1.078 626 L CA 1.926 56.775 54.840 0.016 0.000 0.749 626 L CB -0.585 41.469 42.059 -0.008 0.000 0.901 626 L HN 0.255 nan 8.230 nan 0.000 0.433 627 T N -0.196 114.349 114.554 -0.015 0.000 2.777 627 T HA -0.177 4.189 4.350 0.027 0.000 0.266 627 T C 1.963 176.634 174.700 -0.048 0.000 1.040 627 T CA 1.110 63.206 62.100 -0.007 0.000 1.141 627 T CB -0.071 68.744 68.868 -0.087 0.000 0.868 627 T HN 0.169 nan 8.240 nan 0.000 0.444 628 M N 1.462 121.023 119.600 -0.067 0.000 2.159 628 M HA -0.052 4.444 4.480 0.027 0.000 0.263 628 M C 2.308 178.603 176.300 -0.008 0.000 1.063 628 M CA 1.379 56.658 55.300 -0.036 0.000 1.110 628 M CB -1.132 31.449 32.600 -0.032 0.000 1.374 628 M HN 0.388 nan 8.290 nan 0.000 0.411 629 Q N 0.055 119.849 119.800 -0.011 0.000 2.124 629 Q HA -0.102 4.254 4.340 0.027 0.000 0.202 629 Q C 1.983 177.929 176.000 -0.090 0.000 0.977 629 Q CA 1.064 56.877 55.803 0.016 0.000 0.850 629 Q CB -0.268 28.498 28.738 0.047 0.000 0.901 629 Q HN 0.503 nan 8.270 nan 0.000 0.429 630 L N 0.160 121.201 121.223 -0.303 0.000 2.552 630 L HA -0.046 4.310 4.340 0.027 0.000 0.227 630 L C 1.660 178.385 176.870 -0.242 0.000 1.146 630 L CA 0.393 54.837 54.840 -0.661 0.000 0.858 630 L CB -0.077 41.654 42.059 -0.546 0.000 0.969 630 L HN 0.212 nan 8.230 nan 0.000 0.451 631 L N -0.538 120.651 121.223 -0.056 0.000 2.640 631 L HA 0.094 4.450 4.340 0.027 0.000 0.230 631 L C 0.752 177.691 176.870 0.115 0.000 1.123 631 L CA -0.435 54.432 54.840 0.045 0.000 0.900 631 L CB -0.225 41.861 42.059 0.046 0.000 1.146 631 L HN 0.299 nan 8.230 nan 0.000 0.484 632 D N -0.667 119.746 120.400 0.023 0.000 2.398 632 D HA -0.070 4.586 4.640 0.027 0.000 0.264 632 D C 1.570 177.505 176.300 -0.608 0.000 1.263 632 D CA -0.093 53.671 54.000 -0.394 0.000 1.037 632 D CB 0.213 40.832 40.800 -0.301 0.000 1.101 632 D HN 0.143 nan 8.370 nan 0.000 0.551 633 C N -1.371 117.250 119.300 -1.132 0.000 2.419 633 C HA 0.018 4.494 4.460 0.027 0.000 0.283 633 C C 1.665 176.417 174.990 -0.396 0.000 1.373 633 C CA 0.353 58.956 59.018 -0.691 0.000 1.781 633 C CB -1.897 25.481 27.740 -0.603 0.000 1.886 633 C HN 0.551 nan 8.230 nan 0.000 0.520 634 N N -0.472 117.971 118.700 -0.428 0.000 2.515 634 N HA 0.155 4.911 4.740 0.027 0.000 0.185 634 N C -0.653 174.245 175.510 -1.020 0.000 1.109 634 N CA 0.556 53.194 53.050 -0.686 0.000 0.903 634 N CB -0.025 37.975 38.487 -0.812 0.000 0.969 634 N HN 0.571 nan 8.380 nan 0.000 0.450 635 F N -0.638 119.184 119.950 -0.212 0.000 2.513 635 F HA 0.365 4.906 4.527 0.024 0.000 0.358 635 F C 0.563 176.157 175.800 -0.345 0.000 1.118 635 F CA -0.793 57.056 58.000 -0.252 0.000 1.037 635 F CB 1.719 40.623 39.000 -0.160 0.000 1.276 635 F HN -0.185 nan 8.300 nan 0.000 0.446 636 S N 0.173 115.580 115.700 -0.489 0.000 2.556 636 S HA -0.036 4.450 4.470 0.027 0.000 0.216 636 S C 0.086 174.390 174.600 -0.494 0.000 0.970 636 S CA -0.184 57.662 58.200 -0.589 0.000 0.912 636 S CB -0.267 62.346 63.200 -0.978 0.000 0.790 636 S HN 0.648 nan 8.310 nan 0.000 0.504 637 D N 1.857 121.982 120.400 -0.458 0.000 2.317 637 D HA 0.104 4.760 4.640 0.027 0.000 0.252 637 D C 1.116 177.353 176.300 -0.104 0.000 1.174 637 D CA -0.029 53.818 54.000 -0.256 0.000 0.866 637 D CB 0.682 41.187 40.800 -0.491 0.000 1.127 637 D HN 0.109 nan 8.370 nan 0.000 0.467 638 E N 3.040 123.237 120.200 -0.005 0.000 2.070 638 E HA -0.308 4.058 4.350 0.027 0.000 0.197 638 E C 0.949 177.520 176.600 -0.050 0.000 1.004 638 E CA 1.243 57.649 56.400 0.010 0.000 0.805 638 E CB 0.160 29.895 29.700 0.059 0.000 0.744 638 E HN 0.533 nan 8.360 nan 0.000 0.451 639 N N 0.014 118.656 118.700 -0.095 0.000 2.216 639 N HA -0.110 4.646 4.740 0.027 0.000 0.183 639 N C 1.978 177.338 175.510 -0.251 0.000 1.017 639 N CA 0.962 53.886 53.050 -0.210 0.000 0.861 639 N CB -0.150 38.067 38.487 -0.450 0.000 0.986 639 N HN 0.076 nan 8.380 nan 0.000 0.428 640 V N 2.059 121.820 119.914 -0.256 0.000 2.261 640 V HA -0.191 3.945 4.120 0.027 0.000 0.246 640 V C 2.383 178.268 176.094 -0.349 0.000 1.047 640 V CA 1.508 63.550 62.300 -0.430 0.000 1.015 640 V CB -0.435 31.159 31.823 -0.381 0.000 0.642 640 V HN 0.239 nan 8.190 nan 0.000 0.446 641 R N 0.288 120.660 120.500 -0.213 0.000 2.103 641 R HA -0.186 4.171 4.340 0.027 0.000 0.242 641 R C 2.399 178.622 176.300 -0.130 0.000 1.142 641 R CA 1.566 57.576 56.100 -0.149 0.000 0.960 641 R CB -0.698 29.560 30.300 -0.070 0.000 0.858 641 R HN 0.549 nan 8.270 nan 0.000 0.439 642 A N 1.866 124.616 122.820 -0.117 0.000 1.933 642 A HA -0.158 4.178 4.320 0.027 0.000 0.218 642 A C 2.235 179.765 177.584 -0.089 0.000 1.175 642 A CA 1.582 53.569 52.037 -0.082 0.000 0.628 642 A CB -0.697 18.265 19.000 -0.064 0.000 0.814 642 A HN 0.513 nan 8.150 nan 0.000 0.444 643 I N -2.807 117.669 120.570 -0.157 0.000 2.394 643 I HA -0.064 4.122 4.170 0.027 0.000 0.251 643 I C 2.308 178.455 176.117 0.050 0.000 1.136 643 I CA 1.448 62.673 61.300 -0.125 0.000 1.425 643 I CB -0.413 37.339 38.000 -0.413 0.000 1.079 643 I HN 0.170 nan 8.210 nan 0.000 0.425 644 A N 1.546 124.341 122.820 -0.042 0.000 1.873 644 A HA -0.049 4.287 4.320 0.027 0.000 0.215 644 A C 2.381 179.930 177.584 -0.059 0.000 1.186 644 A CA 1.971 54.025 52.037 0.028 0.000 0.616 644 A CB -1.106 17.850 19.000 -0.072 0.000 0.823 644 A HN 0.341 nan 8.150 nan 0.000 0.442 645 V N 1.422 121.264 119.914 -0.121 0.000 2.332 645 V HA -0.340 3.796 4.120 0.027 0.000 0.248 645 V C 2.812 178.772 176.094 -0.224 0.000 1.055 645 V CA 2.261 64.419 62.300 -0.237 0.000 1.038 645 V CB -1.095 30.637 31.823 -0.152 0.000 0.651 645 V HN 0.887 nan 8.190 nan 0.000 0.450 646 Q N 0.380 120.138 119.800 -0.070 0.000 2.167 646 Q HA -0.276 4.080 4.340 0.027 0.000 0.202 646 Q C 2.112 178.101 176.000 -0.018 0.000 0.970 646 Q CA 1.806 57.602 55.803 -0.011 0.000 0.855 646 Q CB -0.224 28.540 28.738 0.044 0.000 0.911 646 Q HN 0.442 nan 8.270 nan 0.000 0.438 647 K N 0.786 121.179 120.400 -0.012 0.000 2.217 647 K HA 0.059 4.396 4.320 0.027 0.000 0.202 647 K C 1.976 178.501 176.600 -0.125 0.000 1.051 647 K CA 0.806 57.053 56.287 -0.067 0.000 0.952 647 K CB -0.080 32.389 32.500 -0.053 0.000 0.736 647 K HN 0.306 nan 8.250 nan 0.000 0.453 648 L N 0.470 121.564 121.223 -0.215 0.000 2.156 648 L HA -0.076 4.280 4.340 0.027 0.000 0.208 648 L C 1.882 178.684 176.870 -0.114 0.000 1.095 648 L CA 0.722 55.386 54.840 -0.292 0.000 0.770 648 L CB -0.387 41.230 42.059 -0.736 0.000 0.914 648 L HN 0.104 nan 8.230 nan 0.000 0.439 649 E N 0.534 120.696 120.200 -0.064 0.000 2.187 649 E HA -0.238 4.128 4.350 0.027 0.000 0.199 649 E C 2.286 178.999 176.600 0.189 0.000 1.004 649 E CA 1.795 58.329 56.400 0.223 0.000 0.813 649 E CB -0.250 29.537 29.700 0.145 0.000 0.736 649 E HN 0.611 nan 8.360 nan 0.000 0.468 650 S N -0.115 115.639 115.700 0.090 0.000 2.527 650 S HA 0.034 4.520 4.470 0.027 0.000 0.222 650 S C 1.153 175.805 174.600 0.086 0.000 0.985 650 S CA -0.160 58.080 58.200 0.066 0.000 0.921 650 S CB -0.208 62.998 63.200 0.011 0.000 0.772 650 S HN 0.061 nan 8.310 nan 0.000 0.529 651 L N 3.182 124.482 121.223 0.129 0.000 2.453 651 L HA 0.174 4.530 4.340 0.027 0.000 0.272 651 L C 0.881 177.849 176.870 0.164 0.000 1.182 651 L CA -0.308 54.624 54.840 0.153 0.000 0.858 651 L CB 0.385 42.574 42.059 0.216 0.000 1.120 651 L HN 0.491 nan 8.230 nan 0.000 0.474 652 E N 2.173 122.456 120.200 0.138 0.000 2.374 652 E HA 0.032 4.398 4.350 0.027 0.000 0.260 652 E C -0.241 176.450 176.600 0.151 0.000 1.101 652 E CA -0.842 55.633 56.400 0.125 0.000 0.907 652 E CB 0.910 30.669 29.700 0.098 0.000 1.014 652 E HN 0.495 nan 8.360 nan 0.000 0.427 653 D N 1.555 122.037 120.400 0.136 0.000 2.172 653 D HA -0.242 4.415 4.640 0.027 0.000 0.196 653 D C 1.320 177.723 176.300 0.171 0.000 0.999 653 D CA 1.945 56.031 54.000 0.143 0.000 0.856 653 D CB -0.361 40.524 40.800 0.141 0.000 0.934 653 D HN 0.685 nan 8.370 nan 0.000 0.453 654 D N 0.509 121.025 120.400 0.194 0.000 2.116 654 D HA -0.161 4.495 4.640 0.027 0.000 0.193 654 D C 1.390 177.806 176.300 0.193 0.000 0.998 654 D CA 1.349 55.473 54.000 0.207 0.000 0.836 654 D CB 0.057 40.955 40.800 0.163 0.000 0.951 654 D HN 0.068 nan 8.370 nan 0.000 0.449 655 D N -0.763 119.793 120.400 0.261 0.000 2.234 655 D HA -0.053 4.603 4.640 0.027 0.000 0.205 655 D C 2.274 178.792 176.300 0.363 0.000 0.962 655 D CA 0.313 54.537 54.000 0.374 0.000 0.855 655 D CB 0.155 41.158 40.800 0.337 0.000 0.951 655 D HN 0.190 nan 8.370 nan 0.000 0.500 656 V N 1.451 121.527 119.914 0.270 0.000 2.343 656 V HA -0.196 3.940 4.120 0.027 0.000 0.247 656 V C 2.648 178.848 176.094 0.176 0.000 1.051 656 V CA 1.027 63.485 62.300 0.263 0.000 1.036 656 V CB -0.459 31.482 31.823 0.197 0.000 0.654 656 V HN 0.180 nan 8.190 nan 0.000 0.451 657 L N -0.797 120.470 121.223 0.073 0.000 2.191 657 L HA -0.205 4.151 4.340 0.027 0.000 0.212 657 L C 2.432 179.208 176.870 -0.156 0.000 1.103 657 L CA 1.552 56.359 54.840 -0.054 0.000 0.769 657 L CB -0.607 41.390 42.059 -0.102 0.000 0.908 657 L HN 0.455 nan 8.230 nan 0.000 0.438 658 H N -2.212 116.794 119.070 -0.106 0.000 2.372 658 H HA -0.101 4.472 4.556 0.027 0.000 0.301 658 H C 1.202 176.210 175.328 -0.532 0.000 1.065 658 H CA 1.616 57.431 56.048 -0.388 0.000 1.364 658 H CB 0.182 29.580 29.762 -0.607 0.000 1.406 658 H HN 0.269 nan 8.280 nan 0.000 0.521 659 Y N -0.892 119.500 120.300 0.153 0.000 2.458 659 Y HA 0.037 4.604 4.550 0.028 0.000 0.256 659 Y C 1.688 177.649 175.900 0.103 0.000 1.159 659 Y CA -0.432 57.727 58.100 0.099 0.000 1.261 659 Y CB 0.357 38.874 38.460 0.095 0.000 1.119 659 Y HN 0.110 nan 8.280 nan 0.000 0.524 660 L N 0.560 121.910 121.223 0.213 0.000 1.978 660 L HA -0.265 4.091 4.340 0.027 0.000 0.218 660 L C 2.303 179.312 176.870 0.231 0.000 1.075 660 L CA 1.779 56.769 54.840 0.249 0.000 0.767 660 L CB -1.045 41.171 42.059 0.262 0.000 0.890 660 L HN 0.334 nan 8.230 nan 0.000 0.434 661 L N -0.415 120.872 121.223 0.108 0.000 2.013 661 L HA -0.291 4.065 4.340 0.027 0.000 0.212 661 L C 2.461 179.235 176.870 -0.160 0.000 1.073 661 L CA 2.073 56.722 54.840 -0.317 0.000 0.753 661 L CB -0.828 40.828 42.059 -0.671 0.000 0.890 661 L HN 0.518 nan 8.230 nan 0.000 0.432 662 Q N -1.120 118.652 119.800 -0.048 0.000 2.311 662 Q HA -0.071 4.285 4.340 0.027 0.000 0.203 662 Q C 2.257 178.293 176.000 0.061 0.000 0.954 662 Q CA 1.159 56.964 55.803 0.003 0.000 0.885 662 Q CB -0.058 28.706 28.738 0.044 0.000 0.963 662 Q HN 0.549 nan 8.270 nan 0.000 0.471 663 L N -0.473 120.820 121.223 0.117 0.000 2.109 663 L HA -0.138 4.218 4.340 0.027 0.000 0.207 663 L C 2.212 179.152 176.870 0.116 0.000 1.086 663 L CA 0.612 55.538 54.840 0.143 0.000 0.760 663 L CB -0.273 41.918 42.059 0.220 0.000 0.910 663 L HN 0.065 nan 8.230 nan 0.000 0.437 664 V N -0.731 119.240 119.914 0.096 0.000 2.343 664 V HA -0.253 3.883 4.120 0.027 0.000 0.247 664 V C 2.508 178.610 176.094 0.014 0.000 1.051 664 V CA 1.425 63.766 62.300 0.068 0.000 1.036 664 V CB -0.512 31.331 31.823 0.035 0.000 0.654 664 V HN 0.465 nan 8.190 nan 0.000 0.451 665 Q N -0.067 119.686 119.800 -0.079 0.000 2.224 665 Q HA -0.027 4.329 4.340 0.027 0.000 0.203 665 Q C 2.347 178.183 176.000 -0.273 0.000 0.970 665 Q CA 1.574 57.278 55.803 -0.165 0.000 0.865 665 Q CB -0.568 28.058 28.738 -0.186 0.000 0.922 665 Q HN 0.656 nan 8.270 nan 0.000 0.445 666 A N 0.280 123.026 122.820 -0.124 0.000 2.172 666 A HA -0.044 4.292 4.320 0.027 0.000 0.216 666 A C 2.255 179.779 177.584 -0.100 0.000 1.154 666 A CA 0.641 52.647 52.037 -0.052 0.000 0.701 666 A CB -0.293 18.793 19.000 0.143 0.000 0.789 666 A HN 0.179 nan 8.150 nan 0.000 0.465 667 V N 0.054 119.915 119.914 -0.088 0.000 2.626 667 V HA -0.220 3.916 4.120 0.027 0.000 0.252 667 V C 2.217 178.122 176.094 -0.314 0.000 1.067 667 V CA 2.043 64.294 62.300 -0.081 0.000 1.081 667 V CB -0.538 31.336 31.823 0.085 0.000 0.686 667 V HN 0.562 nan 8.190 nan 0.000 0.468 668 K N -0.515 119.519 120.400 -0.610 0.000 2.362 668 K HA -0.060 4.277 4.320 0.027 0.000 0.200 668 K C 1.647 177.916 176.600 -0.553 0.000 1.046 668 K CA 1.279 56.961 56.287 -1.009 0.000 0.952 668 K CB -0.180 31.520 32.500 -1.333 0.000 0.753 668 K HN 0.503 nan 8.250 nan 0.000 0.466 669 F N 1.165 121.016 119.950 -0.164 0.000 2.776 669 F HA 0.068 4.613 4.527 0.029 0.000 0.300 669 F C 0.714 176.456 175.800 -0.097 0.000 1.116 669 F CA -0.453 57.485 58.000 -0.104 0.000 1.375 669 F CB 0.396 39.354 39.000 -0.070 0.000 1.109 669 F HN -0.179 nan 8.300 nan 0.000 0.585 670 E N 1.965 122.186 120.200 0.036 0.000 2.299 670 E HA 0.045 4.412 4.350 0.027 0.000 0.272 670 E C -1.628 174.927 176.600 -0.075 0.000 1.043 670 E CA -1.540 54.861 56.400 0.001 0.000 0.895 670 E CB 0.898 30.607 29.700 0.015 0.000 1.011 670 E HN 0.091 nan 8.360 nan 0.000 0.432 671 P HA -0.114 nan 4.420 nan 0.000 0.217 671 P C -0.300 176.632 177.300 -0.615 0.000 1.150 671 P CA 1.362 64.226 63.100 -0.393 0.000 0.832 671 P CB 0.127 31.540 31.700 -0.478 0.000 0.787 672 Y N -2.593 117.635 120.300 -0.121 0.000 2.487 672 Y HA 0.253 4.819 4.550 0.026 0.000 0.337 672 Y C 2.113 177.949 175.900 -0.105 0.000 1.076 672 Y CA -0.770 57.232 58.100 -0.164 0.000 1.115 672 Y CB 0.648 39.057 38.460 -0.085 0.000 1.235 672 Y HN -0.111 nan 8.280 nan 0.000 0.468 673 H N -0.482 118.678 119.070 0.151 0.000 2.353 673 H HA -0.098 4.474 4.556 0.027 0.000 0.300 673 H C -0.047 175.343 175.328 0.104 0.000 1.090 673 H CA 1.289 57.381 56.048 0.073 0.000 1.327 673 H CB 0.018 29.808 29.762 0.047 0.000 1.383 673 H HN 0.543 nan 8.280 nan 0.000 0.508 674 D N 1.071 121.636 120.400 0.276 0.000 2.280 674 D HA 0.231 4.887 4.640 0.027 0.000 0.243 674 D C -0.379 176.031 176.300 0.183 0.000 1.129 674 D CA -0.180 53.948 54.000 0.213 0.000 0.848 674 D CB 0.742 41.682 40.800 0.232 0.000 1.107 674 D HN 0.282 nan 8.370 nan 0.000 0.471 675 S N 1.570 117.361 115.700 0.151 0.000 2.570 675 S HA 0.635 5.121 4.470 0.027 0.000 0.270 675 S C 0.862 175.536 174.600 0.123 0.000 1.149 675 S CA -0.324 57.954 58.200 0.131 0.000 0.837 675 S CB 1.267 64.540 63.200 0.121 0.000 1.124 675 S HN 0.290 nan 8.310 nan 0.000 0.465 676 A N 0.747 123.630 122.820 0.104 0.000 1.940 676 A HA -0.030 4.306 4.320 0.027 0.000 0.219 676 A C 1.978 179.653 177.584 0.152 0.000 1.176 676 A CA 1.911 54.013 52.037 0.109 0.000 0.631 676 A CB -0.977 18.061 19.000 0.063 0.000 0.814 676 A HN 1.074 nan 8.150 nan 0.000 0.446 677 L N -0.470 120.830 121.223 0.130 0.000 2.056 677 L HA 0.025 4.382 4.340 0.027 0.000 0.207 677 L C 2.674 179.676 176.870 0.220 0.000 1.078 677 L CA 2.098 57.040 54.840 0.171 0.000 0.749 677 L CB -0.847 41.277 42.059 0.109 0.000 0.901 677 L HN 0.329 nan 8.230 nan 0.000 0.433 678 A N -0.301 122.619 122.820 0.167 0.000 1.883 678 A HA -0.241 4.095 4.320 0.027 0.000 0.217 678 A C 2.431 180.110 177.584 0.159 0.000 1.186 678 A CA 1.975 54.106 52.037 0.157 0.000 0.624 678 A CB -0.554 18.527 19.000 0.136 0.000 0.822 678 A HN 0.483 nan 8.150 nan 0.000 0.444 679 R N -2.014 118.582 120.500 0.160 0.000 2.092 679 R HA -0.036 4.320 4.340 0.027 0.000 0.231 679 R C 1.919 178.316 176.300 0.162 0.000 1.119 679 R CA 1.398 57.584 56.100 0.144 0.000 0.970 679 R CB -0.448 29.931 30.300 0.132 0.000 0.864 679 R HN 0.613 nan 8.270 nan 0.000 0.440 680 F N 1.049 121.044 119.950 0.075 0.000 2.146 680 F HA -0.113 4.430 4.527 0.028 0.000 0.298 680 F C 1.607 177.457 175.800 0.083 0.000 1.096 680 F CA 1.372 59.417 58.000 0.075 0.000 1.275 680 F CB -0.085 38.957 39.000 0.069 0.000 1.008 680 F HN -0.101 nan 8.300 nan 0.000 0.480 681 L N -0.348 120.928 121.223 0.088 0.000 2.141 681 L HA -0.209 4.147 4.340 0.027 0.000 0.209 681 L C 2.556 179.402 176.870 -0.039 0.000 1.094 681 L CA 0.754 55.592 54.840 -0.003 0.000 0.763 681 L CB -0.671 41.459 42.059 0.119 0.000 0.908 681 L HN 0.273 nan 8.230 nan 0.000 0.437 682 L N -0.163 121.078 121.223 0.029 0.000 2.005 682 L HA -0.224 4.132 4.340 0.027 0.000 0.207 682 L C 2.715 179.614 176.870 0.048 0.000 1.072 682 L CA 1.607 56.493 54.840 0.077 0.000 0.744 682 L CB -0.221 41.895 42.059 0.095 0.000 0.895 682 L HN 0.274 nan 8.230 nan 0.000 0.433 683 K N -0.653 119.734 120.400 -0.022 0.000 2.032 683 K HA -0.185 4.151 4.320 0.027 0.000 0.209 683 K C 2.088 178.644 176.600 -0.074 0.000 1.048 683 K CA 1.109 57.371 56.287 -0.042 0.000 0.927 683 K CB -0.127 32.339 32.500 -0.057 0.000 0.712 683 K HN 0.221 nan 8.250 nan 0.000 0.441 684 R N 0.087 120.457 120.500 -0.216 0.000 2.096 684 R HA -0.069 4.287 4.340 0.027 0.000 0.235 684 R C 2.380 178.663 176.300 -0.029 0.000 1.127 684 R CA 1.439 57.423 56.100 -0.194 0.000 0.968 684 R CB -1.290 28.764 30.300 -0.411 0.000 0.861 684 R HN 0.402 nan 8.270 nan 0.000 0.440 685 G N 0.686 109.489 108.800 0.006 0.000 2.408 685 G HA2 -0.150 3.827 3.960 0.027 0.000 0.217 685 G HA3 -0.150 3.827 3.960 0.027 0.000 0.217 685 G C 1.553 176.686 174.900 0.388 0.000 1.150 685 G CA 0.161 45.317 45.100 0.093 0.000 0.776 685 G HN 0.211 nan 8.290 nan 0.000 0.542 686 L N -0.451 120.963 121.223 0.318 0.000 2.240 686 L HA 0.145 4.501 4.340 0.027 0.000 0.211 686 L C 2.809 179.778 176.870 0.164 0.000 1.106 686 L CA 0.475 55.454 54.840 0.231 0.000 0.793 686 L CB -0.174 41.930 42.059 0.074 0.000 0.927 686 L HN 0.160 nan 8.230 nan 0.000 0.446 687 R N -0.050 120.543 120.500 0.154 0.000 2.161 687 R HA -0.012 4.344 4.340 0.027 0.000 0.213 687 R C 0.478 176.973 176.300 0.326 0.000 1.055 687 R CA 0.454 56.648 56.100 0.157 0.000 0.996 687 R CB 0.365 30.713 30.300 0.080 0.000 0.901 687 R HN 0.196 nan 8.270 nan 0.000 0.456 688 N N 0.319 119.197 118.700 0.297 0.000 2.371 688 N HA 0.089 4.845 4.740 0.027 0.000 0.291 688 N C -0.451 175.144 175.510 0.142 0.000 1.053 688 N CA -0.231 52.944 53.050 0.208 0.000 0.870 688 N CB 1.881 40.446 38.487 0.130 0.000 1.503 688 N HN -0.095 nan 8.380 nan 0.000 0.485 689 K N 1.788 122.152 120.400 -0.060 0.000 2.097 689 K HA -0.104 4.232 4.320 0.027 0.000 0.206 689 K C 1.705 178.226 176.600 -0.131 0.000 1.049 689 K CA 1.122 57.294 56.287 -0.192 0.000 0.933 689 K CB 0.270 32.422 32.500 -0.580 0.000 0.717 689 K HN 0.473 nan 8.250 nan 0.000 0.442 690 R N 1.176 121.597 120.500 -0.130 0.000 2.066 690 R HA -0.065 4.291 4.340 0.027 0.000 0.232 690 R C 2.187 178.522 176.300 0.058 0.000 1.131 690 R CA 1.236 57.268 56.100 -0.114 0.000 0.955 690 R CB -0.153 30.024 30.300 -0.205 0.000 0.851 690 R HN 0.118 nan 8.270 nan 0.000 0.432 691 I N -0.043 120.560 120.570 0.054 0.000 2.286 691 I HA -0.157 4.029 4.170 0.027 0.000 0.248 691 I C 2.389 178.497 176.117 -0.016 0.000 1.115 691 I CA 1.395 62.727 61.300 0.054 0.000 1.392 691 I CB -0.517 37.506 38.000 0.038 0.000 1.065 691 I HN 0.417 nan 8.210 nan 0.000 0.418 692 G N -0.188 108.621 108.800 0.016 0.000 2.403 692 G HA2 -0.305 3.671 3.960 0.027 0.000 0.216 692 G HA3 -0.305 3.671 3.960 0.027 0.000 0.216 692 G C 1.471 176.335 174.900 -0.060 0.000 1.154 692 G CA 1.064 46.115 45.100 -0.082 0.000 0.784 692 G HN 0.450 nan 8.290 nan 0.000 0.538 693 H N -0.194 118.889 119.070 0.022 0.000 2.293 693 H HA -0.006 4.566 4.556 0.027 0.000 0.300 693 H C 2.157 177.433 175.328 -0.087 0.000 1.082 693 H CA 1.742 57.830 56.048 0.067 0.000 1.308 693 H CB -0.384 29.225 29.762 -0.255 0.000 1.375 693 H HN 0.346 nan 8.280 nan 0.000 0.495 694 F N -0.481 119.362 119.950 -0.178 0.000 2.186 694 F HA -0.103 4.441 4.527 0.027 0.000 0.299 694 F C 2.412 177.663 175.800 -0.915 0.000 1.090 694 F CA 0.701 58.333 58.000 -0.613 0.000 1.307 694 F CB -0.232 38.391 39.000 -0.628 0.000 1.019 694 F HN 0.245 nan 8.300 nan 0.000 0.489 695 L N -0.294 120.680 121.223 -0.415 0.000 2.042 695 L HA -0.225 4.131 4.340 0.027 0.000 0.210 695 L C 2.174 178.791 176.870 -0.421 0.000 1.076 695 L CA 1.587 56.199 54.840 -0.381 0.000 0.749 695 L CB -1.003 40.816 42.059 -0.401 0.000 0.893 695 L HN 0.166 nan 8.230 nan 0.000 0.432 696 F N -0.479 119.056 119.950 -0.692 0.000 2.025 696 F HA -0.288 4.255 4.527 0.027 0.000 0.297 696 F C 1.921 177.345 175.800 -0.626 0.000 1.132 696 F CA 2.262 59.783 58.000 -0.799 0.000 1.191 696 F CB -0.868 37.369 39.000 -1.272 0.000 0.963 696 F HN 0.134 nan 8.300 nan 0.000 0.481 697 W N -0.036 121.056 121.300 -0.346 0.000 2.342 697 W HA -0.175 4.501 4.660 0.026 0.000 0.297 697 W C 2.573 179.038 176.519 -0.089 0.000 1.213 697 W CA 1.588 58.791 57.345 -0.235 0.000 1.251 697 W CB -0.989 28.428 29.460 -0.071 0.000 1.136 697 W HN 0.072 nan 8.180 nan 0.000 0.526 698 F N -0.203 119.727 119.950 -0.034 0.000 2.075 698 F HA -0.259 4.284 4.527 0.027 0.000 0.297 698 F C 2.230 177.834 175.800 -0.327 0.000 1.113 698 F CA 0.721 58.639 58.000 -0.136 0.000 1.218 698 F CB -0.973 37.957 39.000 -0.116 0.000 0.984 698 F HN -0.184 nan 8.300 nan 0.000 0.472 699 L N -0.133 120.954 121.223 -0.226 0.000 2.017 699 L HA -0.217 4.139 4.340 0.027 0.000 0.208 699 L C 2.604 179.234 176.870 -0.400 0.000 1.073 699 L CA 1.183 55.769 54.840 -0.424 0.000 0.745 699 L CB -0.647 41.211 42.059 -0.336 0.000 0.894 699 L HN 0.063 nan 8.230 nan 0.000 0.432 700 R N -0.392 119.815 120.500 -0.488 0.000 2.103 700 R HA -0.216 4.140 4.340 0.027 0.000 0.242 700 R C 2.617 178.795 176.300 -0.202 0.000 1.142 700 R CA 1.843 57.663 56.100 -0.466 0.000 0.960 700 R CB -0.288 29.512 30.300 -0.833 0.000 0.858 700 R HN 0.239 nan 8.270 nan 0.000 0.439 701 S N 0.192 115.831 115.700 -0.101 0.000 2.359 701 S HA -0.164 4.322 4.470 0.027 0.000 0.224 701 S C 1.688 176.243 174.600 -0.075 0.000 1.035 701 S CA 1.429 59.615 58.200 -0.022 0.000 1.018 701 S CB -0.138 63.075 63.200 0.021 0.000 0.876 701 S HN 0.339 nan 8.310 nan 0.000 0.448 702 E N 0.944 121.036 120.200 -0.181 0.000 2.072 702 E HA -0.053 4.313 4.350 0.027 0.000 0.191 702 E C 2.092 178.678 176.600 -0.022 0.000 0.985 702 E CA 1.031 57.331 56.400 -0.167 0.000 0.801 702 E CB -0.558 28.824 29.700 -0.531 0.000 0.750 702 E HN 0.618 nan 8.360 nan 0.000 0.452 703 I N 1.134 121.671 120.570 -0.055 0.000 2.163 703 I HA -0.298 3.888 4.170 0.027 0.000 0.243 703 I C 2.436 178.562 176.117 0.015 0.000 1.085 703 I CA 1.384 62.675 61.300 -0.015 0.000 1.347 703 I CB -0.330 37.637 38.000 -0.054 0.000 1.044 703 I HN 0.011 nan 8.210 nan 0.000 0.408 704 A N 0.405 123.234 122.820 0.015 0.000 1.930 704 A HA -0.202 4.134 4.320 0.027 0.000 0.217 704 A C 2.084 179.708 177.584 0.066 0.000 1.175 704 A CA 1.694 53.762 52.037 0.052 0.000 0.627 704 A CB -0.443 18.589 19.000 0.054 0.000 0.815 704 A HN 0.678 nan 8.150 nan 0.000 0.443 705 Q N -1.360 118.474 119.800 0.055 0.000 2.159 705 Q HA 0.335 4.691 4.340 0.027 0.000 0.217 705 Q C -0.070 175.978 176.000 0.081 0.000 0.818 705 Q CA 0.367 56.209 55.803 0.066 0.000 1.008 705 Q CB 0.218 28.987 28.738 0.051 0.000 1.148 705 Q HN 0.309 nan 8.270 nan 0.000 0.491 706 S N 0.351 116.108 115.700 0.096 0.000 2.779 706 S HA 0.389 4.876 4.470 0.027 0.000 0.293 706 S C 0.237 174.904 174.600 0.113 0.000 1.150 706 S CA -0.700 57.582 58.200 0.137 0.000 1.057 706 S CB 1.218 64.529 63.200 0.185 0.000 1.021 706 S HN 0.305 nan 8.310 nan 0.000 0.485 707 R N 2.348 122.909 120.500 0.103 0.000 2.200 707 R HA 0.026 4.382 4.340 0.027 0.000 0.208 707 R C 0.897 177.158 176.300 -0.066 0.000 1.033 707 R CA 0.887 57.031 56.100 0.074 0.000 1.000 707 R CB -0.330 30.103 30.300 0.221 0.000 0.906 707 R HN 0.752 nan 8.270 nan 0.000 0.462 708 H N -1.246 117.576 119.070 -0.413 0.000 2.421 708 H HA -0.098 4.474 4.556 0.027 0.000 0.298 708 H C 0.644 175.490 175.328 -0.803 0.000 1.087 708 H CA 1.519 57.084 56.048 -0.805 0.000 1.330 708 H CB 0.048 29.231 29.762 -0.966 0.000 1.388 708 H HN 0.241 nan 8.280 nan 0.000 0.526 709 Y N -0.394 119.886 120.300 -0.034 0.000 2.499 709 Y HA 0.018 4.584 4.550 0.027 0.000 0.253 709 Y C 2.169 178.001 175.900 -0.113 0.000 1.105 709 Y CA -0.243 57.771 58.100 -0.144 0.000 1.240 709 Y CB 0.408 38.743 38.460 -0.208 0.000 1.289 709 Y HN 0.165 nan 8.280 nan 0.000 0.534 710 Q N 1.075 120.891 119.800 0.026 0.000 2.112 710 Q HA -0.295 4.061 4.340 0.027 0.000 0.206 710 Q C 1.189 176.969 176.000 -0.367 0.000 0.987 710 Q CA 2.259 57.986 55.803 -0.127 0.000 0.858 710 Q CB -0.385 28.193 28.738 -0.267 0.000 0.905 710 Q HN 0.567 nan 8.270 nan 0.000 0.420 711 Q N 0.575 120.107 119.800 -0.447 0.000 2.002 711 Q HA -0.191 4.165 4.340 0.027 0.000 0.204 711 Q C 2.373 178.197 176.000 -0.293 0.000 0.988 711 Q CA 1.889 57.441 55.803 -0.418 0.000 0.843 711 Q CB -0.295 28.289 28.738 -0.256 0.000 0.908 711 Q HN 0.451 nan 8.270 nan 0.000 0.420 712 R N 0.365 120.683 120.500 -0.302 0.000 2.083 712 R HA -0.154 4.202 4.340 0.027 0.000 0.237 712 R C 2.104 178.306 176.300 -0.162 0.000 1.137 712 R CA 1.533 57.449 56.100 -0.306 0.000 0.951 712 R CB -0.348 29.840 30.300 -0.186 0.000 0.851 712 R HN 0.221 nan 8.270 nan 0.000 0.434 713 F N 0.725 120.638 119.950 -0.061 0.000 2.134 713 F HA -0.144 4.399 4.527 0.027 0.000 0.299 713 F C 2.677 178.421 175.800 -0.093 0.000 1.097 713 F CA 0.690 58.648 58.000 -0.070 0.000 1.264 713 F CB -0.254 38.700 39.000 -0.077 0.000 1.001 713 F HN 0.252 nan 8.300 nan 0.000 0.479 714 A N -0.194 122.656 122.820 0.051 0.000 1.940 714 A HA -0.152 4.185 4.320 0.027 0.000 0.219 714 A C 2.248 179.855 177.584 0.038 0.000 1.176 714 A CA 1.795 53.848 52.037 0.026 0.000 0.631 714 A CB -1.117 17.902 19.000 0.031 0.000 0.814 714 A HN 0.204 nan 8.150 nan 0.000 0.446 715 V N -0.085 119.835 119.914 0.010 0.000 2.453 715 V HA -0.211 3.925 4.120 0.027 0.000 0.247 715 V C 2.354 178.473 176.094 0.041 0.000 1.048 715 V CA 1.849 64.155 62.300 0.011 0.000 1.049 715 V CB -0.549 31.251 31.823 -0.038 0.000 0.672 715 V HN 0.578 nan 8.190 nan 0.000 0.457 716 I N -0.829 119.782 120.570 0.067 0.000 2.286 716 I HA -0.205 3.981 4.170 0.027 0.000 0.245 716 I C 2.342 178.518 176.117 0.097 0.000 1.104 716 I CA 1.278 62.637 61.300 0.098 0.000 1.397 716 I CB -0.222 37.863 38.000 0.142 0.000 1.072 716 I HN 0.252 nan 8.210 nan 0.000 0.417 717 L N 0.862 122.121 121.223 0.061 0.000 2.017 717 L HA -0.245 4.111 4.340 0.027 0.000 0.208 717 L C 2.670 179.586 176.870 0.077 0.000 1.073 717 L CA 1.927 56.789 54.840 0.036 0.000 0.745 717 L CB -0.406 41.601 42.059 -0.087 0.000 0.894 717 L HN 0.367 nan 8.230 nan 0.000 0.432 718 E N 0.085 120.306 120.200 0.035 0.000 2.070 718 E HA -0.284 4.082 4.350 0.027 0.000 0.197 718 E C 1.998 178.611 176.600 0.021 0.000 1.004 718 E CA 1.585 57.988 56.400 0.006 0.000 0.805 718 E CB -0.104 29.594 29.700 -0.005 0.000 0.744 718 E HN 0.516 nan 8.360 nan 0.000 0.451 719 A N 0.137 122.988 122.820 0.052 0.000 1.933 719 A HA -0.188 4.148 4.320 0.027 0.000 0.218 719 A C 2.094 179.720 177.584 0.070 0.000 1.175 719 A CA 1.482 53.553 52.037 0.057 0.000 0.628 719 A CB -0.960 18.082 19.000 0.070 0.000 0.814 719 A HN 0.631 nan 8.150 nan 0.000 0.444 720 Y N 0.683 120.991 120.300 0.014 0.000 2.163 720 Y HA -0.132 4.435 4.550 0.027 0.000 0.288 720 Y C 1.864 177.793 175.900 0.047 0.000 1.136 720 Y CA 1.840 59.954 58.100 0.024 0.000 1.147 720 Y CB -0.410 38.052 38.460 0.003 0.000 0.987 720 Y HN 0.200 nan 8.280 nan 0.000 0.509 721 L N 0.059 121.200 121.223 -0.136 0.000 2.191 721 L HA -0.173 4.183 4.340 0.027 0.000 0.212 721 L C 2.064 178.889 176.870 -0.075 0.000 1.103 721 L CA 1.298 56.055 54.840 -0.139 0.000 0.769 721 L CB -0.459 41.591 42.059 -0.014 0.000 0.908 721 L HN 0.103 nan 8.230 nan 0.000 0.438 722 R N -0.178 120.301 120.500 -0.036 0.000 2.319 722 R HA 0.079 4.435 4.340 0.027 0.000 0.204 722 R C 1.395 177.692 176.300 -0.005 0.000 0.954 722 R CA 0.529 56.664 56.100 0.059 0.000 1.066 722 R CB 0.119 30.465 30.300 0.076 0.000 0.991 722 R HN 0.365 nan 8.270 nan 0.000 0.486 723 G N -0.752 107.984 108.800 -0.107 0.000 3.430 723 G HA2 -0.097 3.879 3.960 0.027 0.000 0.222 723 G HA3 -0.097 3.879 3.960 0.027 0.000 0.222 723 G C 1.153 175.944 174.900 -0.182 0.000 1.102 723 G CA -0.061 44.963 45.100 -0.127 0.000 0.927 723 G HN 0.403 nan 8.290 nan 0.000 0.597 724 C N -0.202 118.932 119.300 -0.277 0.000 2.450 724 C HA 0.570 5.046 4.460 0.027 0.000 0.279 724 C C 1.510 176.533 174.990 0.056 0.000 1.335 724 C CA 0.433 59.353 59.018 -0.163 0.000 1.749 724 C CB -0.924 26.589 27.740 -0.379 0.000 1.963 724 C HN 1.445 nan 8.230 nan 0.000 0.501 725 G N -0.362 108.442 108.800 0.007 0.000 2.459 725 G HA2 0.184 4.160 3.960 0.027 0.000 0.685 725 G HA3 0.184 4.160 3.960 0.027 0.000 0.685 725 G C 0.235 175.159 174.900 0.041 0.000 1.303 725 G CA 0.348 45.471 45.100 0.038 0.000 0.907 725 G HN 0.895 nan 8.290 nan 0.000 0.632 726 T N -1.575 112.996 114.554 0.028 0.000 2.951 726 T HA 0.288 4.654 4.350 0.027 0.000 0.268 726 T C 2.572 177.294 174.700 0.036 0.000 1.073 726 T CA 2.161 64.283 62.100 0.037 0.000 1.134 726 T CB -0.183 68.684 68.868 -0.001 0.000 0.884 726 T HN 1.958 nan 8.240 nan 0.000 0.479 727 A N 2.460 125.285 122.820 0.009 0.000 1.835 727 A HA 0.060 4.396 4.320 0.027 0.000 0.215 727 A C 2.553 180.109 177.584 -0.046 0.000 1.199 727 A CA 1.779 53.810 52.037 -0.010 0.000 0.615 727 A CB -0.871 18.113 19.000 -0.028 0.000 0.838 727 A HN 0.477 nan 8.150 nan 0.000 0.444 728 M N -1.022 118.501 119.600 -0.128 0.000 2.159 728 M HA -0.072 4.424 4.480 0.027 0.000 0.263 728 M C 2.210 178.293 176.300 -0.361 0.000 1.063 728 M CA 1.146 56.229 55.300 -0.362 0.000 1.110 728 M CB -0.515 31.899 32.600 -0.310 0.000 1.374 728 M HN 0.433 nan 8.290 nan 0.000 0.411 729 L N -0.589 120.616 121.223 -0.030 0.000 2.265 729 L HA -0.251 4.105 4.340 0.027 0.000 0.215 729 L C 2.435 179.346 176.870 0.068 0.000 1.117 729 L CA 1.201 56.106 54.840 0.108 0.000 0.782 729 L CB -0.381 41.769 42.059 0.151 0.000 0.914 729 L HN 0.336 nan 8.230 nan 0.000 0.441 730 H N -0.851 118.177 119.070 -0.071 0.000 2.399 730 H HA -0.092 4.481 4.556 0.027 0.000 0.300 730 H C 1.740 177.007 175.328 -0.101 0.000 1.048 730 H CA 1.646 57.660 56.048 -0.058 0.000 1.370 730 H CB 0.175 29.906 29.762 -0.052 0.000 1.428 730 H HN 0.246 nan 8.280 nan 0.000 0.534 731 D N -0.047 120.158 120.400 -0.324 0.000 2.097 731 D HA -0.154 4.503 4.640 0.027 0.000 0.195 731 D C 1.861 177.967 176.300 -0.324 0.000 0.989 731 D CA 1.546 55.316 54.000 -0.383 0.000 0.827 731 D CB -0.465 40.052 40.800 -0.472 0.000 0.966 731 D HN 0.412 nan 8.370 nan 0.000 0.456 732 F N 0.799 120.569 119.950 -0.299 0.000 2.192 732 F HA -0.209 4.334 4.527 0.027 0.000 0.301 732 F C 2.500 178.140 175.800 -0.266 0.000 1.079 732 F CA 0.944 58.645 58.000 -0.499 0.000 1.303 732 F CB -0.492 37.958 39.000 -0.918 0.000 1.024 732 F HN -0.031 nan 8.300 nan 0.000 0.494 733 T N -0.865 113.657 114.554 -0.053 0.000 2.770 733 T HA -0.169 4.197 4.350 0.027 0.000 0.263 733 T C 1.838 176.497 174.700 -0.068 0.000 1.039 733 T CA 0.999 63.073 62.100 -0.043 0.000 1.142 733 T CB -0.365 68.485 68.868 -0.031 0.000 0.868 733 T HN 0.282 nan 8.240 nan 0.000 0.435 734 Q N 1.039 120.732 119.800 -0.179 0.000 2.045 734 Q HA -0.206 4.150 4.340 0.027 0.000 0.206 734 Q C 2.618 178.606 176.000 -0.020 0.000 0.991 734 Q CA 1.619 57.349 55.803 -0.122 0.000 0.851 734 Q CB -0.283 28.361 28.738 -0.156 0.000 0.911 734 Q HN 0.634 nan 8.270 nan 0.000 0.418 735 Q N -0.188 119.662 119.800 0.083 0.000 2.045 735 Q HA -0.182 4.174 4.340 0.027 0.000 0.206 735 Q C 2.273 178.432 176.000 0.265 0.000 0.991 735 Q CA 1.921 57.876 55.803 0.253 0.000 0.851 735 Q CB -0.259 28.796 28.738 0.529 0.000 0.911 735 Q HN 0.221 nan 8.270 nan 0.000 0.418 736 V N 1.004 121.071 119.914 0.254 0.000 2.287 736 V HA -0.319 3.818 4.120 0.027 0.000 0.248 736 V C 2.200 178.365 176.094 0.118 0.000 1.053 736 V CA 2.076 64.513 62.300 0.228 0.000 1.027 736 V CB -0.743 31.178 31.823 0.163 0.000 0.646 736 V HN 0.374 nan 8.190 nan 0.000 0.447 737 Q N -0.303 119.524 119.800 0.046 0.000 2.014 737 Q HA -0.217 4.139 4.340 0.027 0.000 0.207 737 Q C 2.332 178.305 176.000 -0.045 0.000 0.993 737 Q CA 2.587 58.389 55.803 -0.001 0.000 0.850 737 Q CB -0.495 28.230 28.738 -0.022 0.000 0.916 737 Q HN 0.577 nan 8.270 nan 0.000 0.417 738 V N 1.543 121.376 119.914 -0.136 0.000 2.231 738 V HA -0.317 3.819 4.120 0.027 0.000 0.248 738 V C 2.304 178.287 176.094 -0.185 0.000 1.054 738 V CA 2.236 64.355 62.300 -0.301 0.000 1.015 738 V CB -1.096 30.227 31.823 -0.834 0.000 0.638 738 V HN 0.526 nan 8.190 nan 0.000 0.444 739 I N -0.541 120.010 120.570 -0.033 0.000 2.208 739 I HA -0.253 3.934 4.170 0.027 0.000 0.245 739 I C 2.296 178.495 176.117 0.136 0.000 1.097 739 I CA 2.124 63.522 61.300 0.163 0.000 1.363 739 I CB -0.808 37.384 38.000 0.320 0.000 1.051 739 I HN 0.293 nan 8.210 nan 0.000 0.413 740 E N 0.831 121.091 120.200 0.101 0.000 2.106 740 E HA -0.167 4.199 4.350 0.027 0.000 0.192 740 E C 2.301 178.913 176.600 0.020 0.000 0.984 740 E CA 1.560 58.008 56.400 0.079 0.000 0.806 740 E CB -0.219 29.525 29.700 0.073 0.000 0.750 740 E HN 0.566 nan 8.360 nan 0.000 0.458 741 M N 0.307 119.891 119.600 -0.026 0.000 2.086 741 M HA -0.176 4.320 4.480 0.027 0.000 0.261 741 M C 2.223 178.464 176.300 -0.099 0.000 1.067 741 M CA 1.429 56.695 55.300 -0.056 0.000 1.116 741 M CB -0.220 32.336 32.600 -0.075 0.000 1.348 741 M HN 0.135 nan 8.290 nan 0.000 0.407 742 L N -0.655 120.455 121.223 -0.189 0.000 2.217 742 L HA -0.178 4.178 4.340 0.027 0.000 0.211 742 L C 2.414 179.123 176.870 -0.268 0.000 1.107 742 L CA 0.999 55.604 54.840 -0.392 0.000 0.783 742 L CB -0.623 40.888 42.059 -0.914 0.000 0.919 742 L HN 0.379 nan 8.230 nan 0.000 0.442 743 Q N 0.057 119.834 119.800 -0.038 0.000 2.172 743 Q HA -0.199 4.157 4.340 0.027 0.000 0.200 743 Q C 2.135 178.165 176.000 0.050 0.000 0.964 743 Q CA 1.042 56.914 55.803 0.115 0.000 0.855 743 Q CB 0.013 28.865 28.738 0.190 0.000 0.918 743 Q HN 0.375 nan 8.270 nan 0.000 0.444 744 K N 0.565 120.971 120.400 0.010 0.000 2.032 744 K HA -0.156 4.180 4.320 0.027 0.000 0.209 744 K C 1.970 178.562 176.600 -0.014 0.000 1.048 744 K CA 1.303 57.589 56.287 -0.001 0.000 0.927 744 K CB 0.028 32.523 32.500 -0.008 0.000 0.712 744 K HN -0.003 nan 8.250 nan 0.000 0.441 745 V N 1.009 120.902 119.914 -0.035 0.000 2.295 745 V HA -0.273 3.864 4.120 0.027 0.000 0.246 745 V C 2.179 178.269 176.094 -0.007 0.000 1.049 745 V CA 2.349 64.629 62.300 -0.034 0.000 1.024 745 V CB -0.878 30.904 31.823 -0.068 0.000 0.648 745 V HN 0.481 nan 8.190 nan 0.000 0.447 746 T N 1.005 115.568 114.554 0.014 0.000 2.607 746 T HA -0.207 4.159 4.350 0.027 0.000 0.267 746 T C 1.896 176.621 174.700 0.040 0.000 1.049 746 T CA 2.004 64.149 62.100 0.076 0.000 1.162 746 T CB -0.445 68.528 68.868 0.175 0.000 0.863 746 T HN 0.327 nan 8.240 nan 0.000 0.424 747 L N 0.889 122.110 121.223 -0.003 0.000 2.046 747 L HA -0.121 4.235 4.340 0.027 0.000 0.208 747 L C 2.614 179.453 176.870 -0.051 0.000 1.077 747 L CA 1.251 56.042 54.840 -0.082 0.000 0.747 747 L CB -0.702 41.294 42.059 -0.104 0.000 0.896 747 L HN 0.162 nan 8.230 nan 0.000 0.432 748 D N 0.356 120.742 120.400 -0.024 0.000 2.084 748 D HA -0.167 4.490 4.640 0.027 0.000 0.194 748 D C 2.193 178.491 176.300 -0.004 0.000 0.990 748 D CA 1.389 55.381 54.000 -0.014 0.000 0.826 748 D CB -0.185 40.609 40.800 -0.010 0.000 0.971 748 D HN 0.185 nan 8.370 nan 0.000 0.453 749 I N 1.114 121.687 120.570 0.006 0.000 2.361 749 I HA -0.205 3.981 4.170 0.027 0.000 0.251 749 I C 2.281 178.412 176.117 0.023 0.000 1.133 749 I CA 1.017 62.327 61.300 0.017 0.000 1.413 749 I CB -0.271 37.745 38.000 0.028 0.000 1.073 749 I HN -0.074 nan 8.210 nan 0.000 0.424 750 K N 0.161 120.573 120.400 0.022 0.000 2.103 750 K HA -0.165 4.172 4.320 0.027 0.000 0.207 750 K C 2.255 178.865 176.600 0.017 0.000 1.048 750 K CA 1.614 57.917 56.287 0.027 0.000 0.930 750 K CB -0.013 32.494 32.500 0.012 0.000 0.716 750 K HN 0.265 nan 8.250 nan 0.000 0.444 751 S N 1.030 116.731 115.700 0.001 0.000 2.355 751 S HA -0.061 4.425 4.470 0.027 0.000 0.222 751 S C 0.963 175.568 174.600 0.009 0.000 1.031 751 S CA 0.784 58.985 58.200 0.002 0.000 0.993 751 S CB -0.130 63.066 63.200 -0.005 0.000 0.859 751 S HN 0.249 nan 8.310 nan 0.000 0.453 752 L N 3.036 124.265 121.223 0.010 0.000 2.697 752 L HA 0.207 4.563 4.340 0.027 0.000 0.239 752 L C 0.392 177.271 176.870 0.015 0.000 1.430 752 L CA -0.485 54.361 54.840 0.011 0.000 1.193 752 L CB -1.193 40.872 42.059 0.009 0.000 1.516 752 L HN 0.263 nan 8.230 nan 0.000 0.439 761 S N 1.210 116.910 115.700 -0.001 0.000 2.402 761 S HA -0.234 4.252 4.470 0.027 0.000 0.233 761 S C 1.552 176.153 174.600 0.000 0.000 1.030 761 S CA 1.520 59.719 58.200 -0.002 0.000 1.003 761 S CB -0.843 62.356 63.200 -0.003 0.000 0.813 761 S HN 0.745 nan 8.310 nan 0.000 0.477 762 Q N 0.552 120.353 119.800 0.002 0.000 2.084 762 Q HA -0.062 4.294 4.340 0.027 0.000 0.202 762 Q C 2.433 178.436 176.000 0.004 0.000 0.978 762 Q CA 1.750 57.554 55.803 0.003 0.000 0.844 762 Q CB -0.545 28.194 28.738 0.003 0.000 0.898 762 Q HN 0.594 nan 8.270 nan 0.000 0.426 763 V N 1.373 121.290 119.914 0.006 0.000 2.343 763 V HA -0.263 3.873 4.120 0.027 0.000 0.247 763 V C 2.154 178.254 176.094 0.010 0.000 1.051 763 V CA 1.600 63.906 62.300 0.010 0.000 1.036 763 V CB -0.659 31.173 31.823 0.014 0.000 0.654 763 V HN 0.364 nan 8.190 nan 0.000 0.451 764 I N 0.231 120.805 120.570 0.007 0.000 2.530 764 I HA -0.223 3.963 4.170 0.027 0.000 0.257 764 I C 2.586 178.705 176.117 0.004 0.000 1.179 764 I CA 1.483 62.786 61.300 0.005 0.000 1.440 764 I CB -0.546 37.454 38.000 -0.000 0.000 1.087 764 I HN 0.330 nan 8.210 nan 0.000 0.440 765 S N 0.900 116.602 115.700 0.003 0.000 2.326 765 S HA -0.201 4.285 4.470 0.027 0.000 0.211 765 S C 2.002 176.602 174.600 0.001 0.000 1.031 765 S CA 1.440 59.641 58.200 0.001 0.000 0.985 765 S CB -0.132 63.069 63.200 0.001 0.000 0.961 765 S HN 0.391 nan 8.310 nan 0.000 0.436 766 Q N 1.398 121.199 119.800 0.002 0.000 2.062 766 Q HA -0.111 4.245 4.340 0.027 0.000 0.209 766 Q C 2.194 178.194 176.000 -0.001 0.000 0.996 766 Q CA 1.821 57.624 55.803 0.001 0.000 0.859 766 Q CB -0.767 27.972 28.738 0.002 0.000 0.920 766 Q HN 0.506 nan 8.270 nan 0.000 0.415 767 L N 0.405 121.630 121.223 0.003 0.000 1.951 767 L HA -0.327 4.029 4.340 0.027 0.000 0.222 767 L C 1.976 178.843 176.870 -0.005 0.000 1.078 767 L CA 1.772 56.613 54.840 0.003 0.000 0.778 767 L CB -0.351 41.717 42.059 0.015 0.000 0.893 767 L HN 0.290 nan 8.230 nan 0.000 0.436 768 K N -0.049 120.350 120.400 -0.002 0.000 2.074 768 K HA -0.237 4.099 4.320 0.027 0.000 0.209 768 K C 1.886 178.481 176.600 -0.010 0.000 1.048 768 K CA 1.633 57.916 56.287 -0.007 0.000 0.926 768 K CB -0.740 31.758 32.500 -0.003 0.000 0.713 768 K HN 0.578 nan 8.250 nan 0.000 0.444 769 Q N 0.920 120.716 119.800 -0.007 0.000 2.020 769 Q HA -0.104 4.252 4.340 0.027 0.000 0.202 769 Q C 2.170 178.164 176.000 -0.010 0.000 0.982 769 Q CA 1.531 57.330 55.803 -0.007 0.000 0.838 769 Q CB -0.191 28.544 28.738 -0.004 0.000 0.899 769 Q HN 0.351 nan 8.270 nan 0.000 0.423 770 K N 0.638 121.031 120.400 -0.013 0.000 2.097 770 K HA -0.092 4.244 4.320 0.027 0.000 0.206 770 K C 1.959 178.544 176.600 -0.025 0.000 1.049 770 K CA 0.908 57.184 56.287 -0.017 0.000 0.933 770 K CB -0.148 32.340 32.500 -0.020 0.000 0.717 770 K HN 0.198 nan 8.250 nan 0.000 0.442 771 L N 0.928 122.133 121.223 -0.029 0.000 2.549 771 L HA -0.140 4.216 4.340 0.027 0.000 0.229 771 L C 1.662 178.515 176.870 -0.030 0.000 1.158 771 L CA 0.933 55.749 54.840 -0.041 0.000 0.842 771 L CB -0.346 41.682 42.059 -0.051 0.000 0.952 771 L HN 0.239 nan 8.230 nan 0.000 0.452 772 E N -0.255 119.934 120.200 -0.018 0.000 2.162 772 E HA -0.048 4.318 4.350 0.027 0.000 0.193 772 E C 1.669 178.265 176.600 -0.006 0.000 0.953 772 E CA 0.382 56.776 56.400 -0.010 0.000 0.849 772 E CB 0.093 29.789 29.700 -0.007 0.000 0.810 772 E HN 0.536 nan 8.360 nan 0.000 0.470 773 N N 1.343 120.038 118.700 -0.008 0.000 2.028 773 N HA -0.150 4.606 4.740 0.027 0.000 0.194 773 N C 1.985 177.491 175.510 -0.006 0.000 1.050 773 N CA 0.997 54.043 53.050 -0.006 0.000 0.848 773 N CB -0.194 38.289 38.487 -0.008 0.000 1.038 773 N HN 0.025 nan 8.380 nan 0.000 0.423 774 L N 0.783 121.999 121.223 -0.012 0.000 2.129 774 L HA -0.186 4.171 4.340 0.027 0.000 0.212 774 L C 2.037 178.907 176.870 -0.000 0.000 1.087 774 L CA 0.929 55.761 54.840 -0.013 0.000 0.757 774 L CB -0.410 41.632 42.059 -0.028 0.000 0.896 774 L HN 0.218 nan 8.230 nan 0.000 0.434 775 Q N 0.454 120.256 119.800 0.003 0.000 2.452 775 Q HA -0.009 4.347 4.340 0.027 0.000 0.214 775 Q C 0.524 176.535 176.000 0.020 0.000 0.966 775 Q CA 0.322 56.136 55.803 0.017 0.000 0.964 775 Q CB -0.106 28.638 28.738 0.010 0.000 0.992 775 Q HN 0.499 nan 8.270 nan 0.000 0.517 776 N N -1.803 116.905 118.700 0.015 0.000 2.636 776 N HA 0.169 4.925 4.740 0.027 0.000 0.268 776 N C -0.057 175.464 175.510 0.019 0.000 1.372 776 N CA -0.094 52.966 53.050 0.016 0.000 0.852 776 N CB -0.284 38.209 38.487 0.010 0.000 1.335 776 N HN -0.100 nan 8.380 nan 0.000 0.386 777 S N 0.833 116.542 115.700 0.015 0.000 2.768 777 S HA 0.135 4.621 4.470 0.027 0.000 0.246 777 S C 0.556 175.165 174.600 0.015 0.000 1.006 777 S CA 0.148 58.358 58.200 0.017 0.000 1.075 777 S CB 0.018 63.227 63.200 0.015 0.000 0.786 777 S HN 0.302 nan 8.310 nan 0.000 0.468 778 Q N 0.234 120.041 119.800 0.012 0.000 2.644 778 Q HA 0.370 4.727 4.340 0.027 0.000 0.220 778 Q C 0.273 176.276 176.000 0.004 0.000 0.866 778 Q CA 0.034 55.841 55.803 0.006 0.000 0.915 778 Q CB -0.111 28.627 28.738 -0.000 0.000 1.191 778 Q HN 0.485 nan 8.270 nan 0.000 0.641 779 L N 3.890 125.116 121.223 0.005 0.000 2.319 779 L HA 0.451 4.807 4.340 0.027 0.000 0.280 779 L C -2.406 174.482 176.870 0.029 0.000 1.099 779 L CA -1.812 53.029 54.840 0.002 0.000 0.828 779 L CB 0.357 42.417 42.059 0.002 0.000 1.150 779 L HN 0.027 nan 8.230 nan 0.000 0.442 780 P HA 0.084 nan 4.420 nan 0.000 0.274 780 P C 0.023 177.379 177.300 0.093 0.000 1.260 780 P CA -0.208 62.928 63.100 0.060 0.000 0.793 780 P CB 0.561 32.294 31.700 0.056 0.000 1.048 781 E N -0.378 119.877 120.200 0.091 0.000 2.097 781 E HA -0.112 4.254 4.350 0.027 0.000 0.196 781 E C 1.033 177.710 176.600 0.128 0.000 1.000 781 E CA 1.642 58.099 56.400 0.094 0.000 0.804 781 E CB -0.258 29.484 29.700 0.070 0.000 0.740 781 E HN 0.654 nan 8.360 nan 0.000 0.454 782 S N -1.471 114.318 115.700 0.150 0.000 2.929 782 S HA 0.669 5.155 4.470 0.027 0.000 0.311 782 S C -0.857 173.934 174.600 0.317 0.000 1.213 782 S CA -0.780 57.531 58.200 0.184 0.000 0.908 782 S CB 1.769 64.988 63.200 0.030 0.000 1.287 782 S HN 0.200 nan 8.310 nan 0.000 0.594 783 F N -2.009 117.880 119.950 -0.102 0.000 2.822 783 F HA 0.568 5.111 4.527 0.027 0.000 0.323 783 F C -1.409 174.284 175.800 -0.179 0.000 1.133 783 F CA -1.204 56.718 58.000 -0.129 0.000 0.941 783 F CB 0.634 39.569 39.000 -0.108 0.000 1.263 783 F HN 0.686 nan 8.300 nan 0.000 0.451 784 R N 1.684 122.079 120.500 -0.175 0.000 2.491 784 R HA 0.538 4.894 4.340 0.027 0.000 0.283 784 R C -0.864 175.216 176.300 -0.367 0.000 1.072 784 R CA -0.836 55.074 56.100 -0.316 0.000 1.048 784 R CB 1.405 31.559 30.300 -0.242 0.000 0.983 784 R HN 0.568 nan 8.270 nan 0.000 0.450 785 V N 6.575 126.156 119.914 -0.556 0.000 2.421 785 V HA 0.016 4.152 4.120 0.027 0.000 0.271 785 V C -1.412 174.360 176.094 -0.535 0.000 1.031 785 V CA -0.998 60.912 62.300 -0.650 0.000 1.032 785 V CB 0.963 32.302 31.823 -0.806 0.000 1.009 785 V HN 0.657 nan 8.190 nan 0.000 0.477 786 P HA -0.173 nan 4.420 nan 0.000 0.220 786 P C 0.949 178.134 177.300 -0.192 0.000 1.144 786 P CA 1.491 64.332 63.100 -0.432 0.000 0.800 786 P CB -0.040 31.027 31.700 -1.055 0.000 0.772 787 Y N -3.193 117.077 120.300 -0.051 0.000 2.462 787 Y HA 0.439 5.006 4.550 0.027 0.000 0.261 787 Y C 0.126 176.129 175.900 0.173 0.000 1.146 787 Y CA -0.601 57.588 58.100 0.148 0.000 1.283 787 Y CB -0.402 38.103 38.460 0.074 0.000 1.090 787 Y HN -0.212 nan 8.280 nan 0.000 0.526 788 D N 1.597 121.922 120.400 -0.125 0.000 2.472 788 D HA 0.217 4.874 4.640 0.027 0.000 0.248 788 D C -2.334 173.744 176.300 -0.369 0.000 1.271 788 D CA -2.224 51.706 54.000 -0.117 0.000 0.888 788 D CB 1.356 42.129 40.800 -0.045 0.000 1.337 788 D HN -0.066 nan 8.370 nan 0.000 0.526 789 P HA -0.026 nan 4.420 nan 0.000 0.223 789 P C 1.314 178.312 177.300 -0.503 0.000 1.144 789 P CA 0.584 63.194 63.100 -0.816 0.000 0.783 789 P CB 0.301 31.192 31.700 -1.349 0.000 0.771 790 G N -0.538 108.048 108.800 -0.356 0.000 2.650 790 G HA2 0.011 3.987 3.960 0.027 0.000 0.214 790 G HA3 0.011 3.987 3.960 0.027 0.000 0.214 790 G C 0.641 175.371 174.900 -0.285 0.000 1.136 790 G CA -0.033 44.905 45.100 -0.270 0.000 0.789 790 G HN 0.230 nan 8.290 nan 0.000 0.536 791 L N 0.837 121.877 121.223 -0.304 0.000 2.289 791 L HA 0.399 4.755 4.340 0.027 0.000 0.285 791 L C -0.261 176.393 176.870 -0.361 0.000 1.049 791 L CA -0.512 54.148 54.840 -0.300 0.000 0.804 791 L CB 1.789 43.680 42.059 -0.279 0.000 1.195 791 L HN -0.054 nan 8.230 nan 0.000 0.428 792 K N 3.189 123.396 120.400 -0.321 0.000 2.339 792 K HA 0.551 4.887 4.320 0.027 0.000 0.264 792 K C -0.595 175.775 176.600 -0.385 0.000 0.986 792 K CA -0.504 55.572 56.287 -0.352 0.000 0.866 792 K CB 2.058 34.421 32.500 -0.229 0.000 1.103 792 K HN 0.621 nan 8.250 nan 0.000 0.441 793 A N 2.728 125.155 122.820 -0.656 0.000 2.301 793 A HA 0.564 4.901 4.320 0.027 0.000 0.298 793 A C 0.551 177.991 177.584 -0.241 0.000 1.185 793 A CA -0.228 51.454 52.037 -0.593 0.000 0.830 793 A CB 0.868 19.119 19.000 -1.249 0.000 1.112 793 A HN 0.858 nan 8.150 nan 0.000 0.508 794 G N 0.910 109.720 108.800 0.018 0.000 3.286 794 G HA2 0.532 4.508 3.960 0.027 0.000 0.173 794 G HA3 0.532 4.508 3.960 0.027 0.000 0.173 794 G C 0.644 175.710 174.900 0.278 0.000 1.704 794 G CA 0.208 45.384 45.100 0.126 0.000 1.041 794 G HN 1.363 nan 8.290 nan 0.000 0.561 795 A N -0.894 122.045 122.820 0.198 0.000 2.386 795 A HA 0.554 4.891 4.320 0.027 0.000 0.248 795 A C -0.129 177.545 177.584 0.150 0.000 1.082 795 A CA -0.274 51.864 52.037 0.167 0.000 0.789 795 A CB 0.143 19.197 19.000 0.090 0.000 1.025 795 A HN 0.440 nan 8.150 nan 0.000 0.490 796 L N 1.676 122.910 121.223 0.019 0.000 2.313 796 L HA 0.351 4.708 4.340 0.027 0.000 0.282 796 L C 0.948 177.740 176.870 -0.130 0.000 1.092 796 L CA -0.274 54.422 54.840 -0.240 0.000 0.831 796 L CB 1.228 43.111 42.059 -0.294 0.000 1.159 796 L HN 0.793 nan 8.230 nan 0.000 0.442 797 A N 5.764 128.512 122.820 -0.119 0.000 3.026 797 A HA 0.173 4.509 4.320 0.027 0.000 0.272 797 A C 1.403 178.965 177.584 -0.037 0.000 1.782 797 A CA -0.199 51.817 52.037 -0.035 0.000 1.451 797 A CB -0.783 18.224 19.000 0.012 0.000 1.081 797 A HN 0.875 nan 8.150 nan 0.000 0.611 798 I N 0.459 121.001 120.570 -0.045 0.000 2.229 798 I HA -0.409 3.777 4.170 0.027 0.000 0.250 798 I C 2.336 178.451 176.117 -0.004 0.000 1.096 798 I CA 2.178 63.457 61.300 -0.034 0.000 1.358 798 I CB -0.469 37.514 38.000 -0.028 0.000 1.047 798 I HN 0.732 nan 8.210 nan 0.000 0.422 799 E N 1.790 121.993 120.200 0.005 0.000 2.118 799 E HA -0.230 4.136 4.350 0.027 0.000 0.195 799 E C 1.890 178.507 176.600 0.027 0.000 0.992 799 E CA 1.311 57.719 56.400 0.014 0.000 0.804 799 E CB -0.335 29.375 29.700 0.016 0.000 0.741 799 E HN 0.510 nan 8.360 nan 0.000 0.458 800 K N 0.087 120.518 120.400 0.051 0.000 2.314 800 K HA 0.159 4.495 4.320 0.027 0.000 0.198 800 K C 0.259 176.959 176.600 0.167 0.000 1.045 800 K CA 0.209 56.557 56.287 0.102 0.000 0.988 800 K CB 0.164 32.752 32.500 0.147 0.000 0.783 800 K HN 0.102 nan 8.250 nan 0.000 0.484 801 C N 3.127 122.503 119.300 0.127 0.000 2.689 801 C HA 0.207 4.683 4.460 0.027 0.000 0.409 801 C C 0.336 175.406 174.990 0.133 0.000 1.293 801 C CA -0.511 58.606 59.018 0.166 0.000 2.136 801 C CB -0.578 27.188 27.740 0.043 0.000 2.719 801 C HN 0.484 nan 8.230 nan 0.000 0.644 802 K N 0.132 120.640 120.400 0.179 0.000 2.711 802 K HA 0.562 4.898 4.320 0.027 0.000 0.294 802 K C -2.004 174.679 176.600 0.138 0.000 1.037 802 K CA -0.727 55.619 56.287 0.098 0.000 0.858 802 K CB 0.504 33.001 32.500 -0.004 0.000 1.521 802 K HN 0.264 nan 8.250 nan 0.000 0.386 803 V N 1.594 121.557 119.914 0.082 0.000 2.644 803 V HA 0.380 4.516 4.120 0.027 0.000 0.295 803 V C 0.188 176.327 176.094 0.075 0.000 1.053 803 V CA -0.697 61.658 62.300 0.092 0.000 0.987 803 V CB 1.275 33.135 31.823 0.062 0.000 1.006 803 V HN 0.647 nan 8.190 nan 0.000 0.472 804 M N 2.720 122.380 119.600 0.100 0.000 2.363 804 M HA 0.501 4.997 4.480 0.027 0.000 0.343 804 M C 0.481 176.809 176.300 0.046 0.000 1.165 804 M CA -0.530 54.814 55.300 0.073 0.000 1.046 804 M CB 1.677 34.353 32.600 0.127 0.000 1.648 804 M HN 0.709 nan 8.290 nan 0.000 0.452 805 A N 2.536 125.367 122.820 0.018 0.000 3.046 805 A HA 0.274 4.610 4.320 0.027 0.000 0.259 805 A C 0.208 177.801 177.584 0.015 0.000 1.843 805 A CA 0.169 52.212 52.037 0.011 0.000 1.451 805 A CB -0.660 18.336 19.000 -0.006 0.000 1.025 805 A HN 0.692 nan 8.150 nan 0.000 0.625 806 S N -0.372 115.348 115.700 0.032 0.000 2.648 806 S HA 0.402 4.888 4.470 0.027 0.000 0.305 806 S C 1.222 175.848 174.600 0.044 0.000 1.094 806 S CA -0.739 57.481 58.200 0.035 0.000 0.983 806 S CB 0.920 64.148 63.200 0.047 0.000 1.101 806 S HN 0.530 nan 8.310 nan 0.000 0.514 807 K N 0.855 121.284 120.400 0.049 0.000 2.074 807 K HA -0.070 4.266 4.320 0.027 0.000 0.209 807 K C 0.384 177.026 176.600 0.070 0.000 1.048 807 K CA 1.142 57.463 56.287 0.056 0.000 0.926 807 K CB -0.234 32.307 32.500 0.069 0.000 0.713 807 K HN 0.551 nan 8.250 nan 0.000 0.444 808 K N 1.479 121.931 120.400 0.086 0.000 2.087 808 K HA 0.230 4.566 4.320 0.027 0.000 0.255 808 K C -0.082 176.577 176.600 0.099 0.000 0.988 808 K CA -0.578 55.774 56.287 0.108 0.000 0.915 808 K CB 0.890 33.469 32.500 0.131 0.000 1.043 808 K HN -0.267 nan 8.250 nan 0.000 0.457 809 K N 2.457 122.921 120.400 0.107 0.000 2.360 809 K HA 0.262 4.598 4.320 0.027 0.000 0.235 809 K C -2.460 174.217 176.600 0.128 0.000 1.077 809 K CA -1.784 54.563 56.287 0.100 0.000 1.035 809 K CB 0.798 33.344 32.500 0.077 0.000 1.623 809 K HN 0.482 nan 8.250 nan 0.000 0.462 810 P HA 0.172 nan 4.420 nan 0.000 0.279 810 P C -0.291 177.132 177.300 0.205 0.000 1.239 810 P CA -0.698 62.510 63.100 0.180 0.000 0.789 810 P CB 0.741 32.541 31.700 0.166 0.000 0.933 811 L N 3.181 124.545 121.223 0.235 0.000 2.397 811 L HA 0.235 4.591 4.340 0.027 0.000 0.271 811 L C 0.506 177.562 176.870 0.311 0.000 1.148 811 L CA 0.292 55.275 54.840 0.238 0.000 0.825 811 L CB -0.198 41.980 42.059 0.197 0.000 1.117 811 L HN 0.512 nan 8.230 nan 0.000 0.456 812 W N 6.376 127.740 121.300 0.107 0.000 2.296 812 W HA 0.411 5.087 4.660 0.027 0.000 0.333 812 W C -1.569 175.007 176.519 0.095 0.000 0.931 812 W CA -0.797 56.612 57.345 0.107 0.000 1.538 812 W CB 0.475 29.976 29.460 0.069 0.000 1.417 812 W HN 0.347 nan 8.180 nan 0.000 0.380 813 L N 4.562 125.849 121.223 0.106 0.000 2.379 813 L HA 0.466 4.822 4.340 0.027 0.000 0.269 813 L C 0.235 177.087 176.870 -0.030 0.000 1.084 813 L CA -0.352 54.514 54.840 0.042 0.000 0.802 813 L CB 1.341 43.461 42.059 0.102 0.000 1.175 813 L HN 0.216 nan 8.230 nan 0.000 0.448 814 E N 1.861 121.976 120.200 -0.143 0.000 2.290 814 E HA 0.516 4.882 4.350 0.027 0.000 0.274 814 E C -1.697 174.787 176.600 -0.195 0.000 0.889 814 E CA -0.504 55.882 56.400 -0.023 0.000 0.760 814 E CB 2.466 32.223 29.700 0.094 0.000 1.206 814 E HN 0.216 nan 8.360 nan 0.000 0.419 815 F N 0.987 120.976 119.950 0.066 0.000 2.561 815 F HA 0.447 4.991 4.527 0.027 0.000 0.321 815 F C 0.326 176.143 175.800 0.028 0.000 1.065 815 F CA -1.063 56.971 58.000 0.057 0.000 0.934 815 F CB 1.342 40.374 39.000 0.053 0.000 1.215 815 F HN 0.089 nan 8.300 nan 0.000 0.471 816 K N 0.459 120.981 120.400 0.204 0.000 2.185 816 K HA 0.327 4.663 4.320 0.027 0.000 0.271 816 K C -0.602 176.047 176.600 0.081 0.000 1.013 816 K CA -0.431 55.924 56.287 0.114 0.000 0.943 816 K CB 0.929 33.479 32.500 0.083 0.000 0.998 816 K HN 0.725 nan 8.250 nan 0.000 0.468 817 C N 2.770 122.089 119.300 0.032 0.000 2.648 817 C HA 0.223 4.699 4.460 0.027 0.000 0.415 817 C C 1.368 176.342 174.990 -0.026 0.000 1.366 817 C CA -0.379 58.624 59.018 -0.025 0.000 1.756 817 C CB -1.168 26.552 27.740 -0.034 0.000 2.549 817 C HN 0.850 nan 8.230 nan 0.000 0.597 818 A N 4.007 126.791 122.820 -0.060 0.000 2.265 818 A HA 0.176 4.512 4.320 0.027 0.000 0.213 818 A C 0.385 177.940 177.584 -0.048 0.000 1.255 818 A CA 0.475 52.488 52.037 -0.040 0.000 0.862 818 A CB -0.450 18.517 19.000 -0.055 0.000 0.852 818 A HN 0.926 nan 8.150 nan 0.000 0.484 819 D N -1.062 119.304 120.400 -0.057 0.000 2.481 819 D HA 0.439 5.095 4.640 0.027 0.000 0.246 819 D C -1.955 174.322 176.300 -0.039 0.000 1.109 819 D CA -2.016 51.948 54.000 -0.060 0.000 0.845 819 D CB 1.814 42.556 40.800 -0.097 0.000 1.160 819 D HN -0.106 nan 8.370 nan 0.000 0.534 820 P HA -0.137 nan 4.420 nan 0.000 0.215 820 P C 1.270 178.564 177.300 -0.011 0.000 1.157 820 P CA 1.661 64.755 63.100 -0.011 0.000 0.868 820 P CB -0.072 31.624 31.700 -0.007 0.000 0.788 821 T N -2.511 112.027 114.554 -0.027 0.000 2.969 821 T HA -0.065 4.301 4.350 0.027 0.000 0.271 821 T C 0.979 175.659 174.700 -0.032 0.000 1.127 821 T CA 0.513 62.595 62.100 -0.030 0.000 1.102 821 T CB -1.282 67.547 68.868 -0.064 0.000 0.855 821 T HN 0.171 nan 8.240 nan 0.000 0.536 822 A N 2.366 125.165 122.820 -0.036 0.000 2.573 822 A HA 0.377 4.713 4.320 0.027 0.000 0.250 822 A C 1.351 178.937 177.584 0.002 0.000 1.049 822 A CA -0.270 51.749 52.037 -0.029 0.000 0.767 822 A CB -0.292 18.693 19.000 -0.025 0.000 0.965 822 A HN 0.638 nan 8.150 nan 0.000 0.514 823 L N 1.936 123.159 121.223 -0.000 0.000 2.622 823 L HA 0.271 4.627 4.340 0.027 0.000 0.233 823 L C 0.763 177.645 176.870 0.020 0.000 1.156 823 L CA 0.974 55.826 54.840 0.020 0.000 0.866 823 L CB -2.012 40.021 42.059 -0.044 0.000 0.980 823 L HN 0.520 nan 8.230 nan 0.000 0.448 824 S N -1.115 114.597 115.700 0.020 0.000 2.819 824 S HA 0.502 4.988 4.470 0.027 0.000 0.299 824 S C 0.142 174.760 174.600 0.030 0.000 1.192 824 S CA -0.587 57.629 58.200 0.026 0.000 0.847 824 S CB 1.071 64.287 63.200 0.027 0.000 1.224 824 S HN 0.239 nan 8.310 nan 0.000 0.537 825 N N 0.444 119.165 118.700 0.036 0.000 2.143 825 N HA 0.177 4.933 4.740 0.027 0.000 0.222 825 N C -0.925 174.615 175.510 0.049 0.000 1.264 825 N CA 0.043 53.117 53.050 0.039 0.000 0.897 825 N CB 0.619 39.129 38.487 0.038 0.000 1.092 825 N HN 0.590 nan 8.380 nan 0.000 0.516 826 E N 1.850 122.082 120.200 0.053 0.000 2.502 826 E HA -0.030 4.337 4.350 0.027 0.000 0.261 826 E C 0.585 177.228 176.600 0.072 0.000 0.974 826 E CA 0.525 56.965 56.400 0.067 0.000 0.936 826 E CB 0.647 30.389 29.700 0.069 0.000 0.926 826 E HN 0.211 nan 8.360 nan 0.000 0.459 827 T N -0.157 114.451 114.554 0.090 0.000 2.788 827 T HA 0.391 4.758 4.350 0.027 0.000 0.287 827 T C 0.440 175.205 174.700 0.109 0.000 1.007 827 T CA -0.660 61.503 62.100 0.105 0.000 1.005 827 T CB 0.531 69.471 68.868 0.120 0.000 1.012 827 T HN 0.296 nan 8.240 nan 0.000 0.530 828 I N 1.335 121.989 120.570 0.140 0.000 2.307 828 I HA 0.433 4.619 4.170 0.027 0.000 0.289 828 I C 0.920 177.157 176.117 0.200 0.000 1.021 828 I CA -0.601 60.777 61.300 0.131 0.000 1.224 828 I CB 0.971 38.996 38.000 0.042 0.000 1.376 828 I HN 0.903 nan 8.210 nan 0.000 0.470 829 G N 7.910 116.770 108.800 0.101 0.000 2.329 829 G HA2 0.689 4.665 3.960 0.027 0.000 0.309 829 G HA3 0.689 4.665 3.960 0.027 0.000 0.309 829 G C -0.523 174.365 174.900 -0.021 0.000 1.110 829 G CA -0.315 44.763 45.100 -0.036 0.000 0.923 829 G HN 0.511 nan 8.290 nan 0.000 0.430 830 I N 2.192 122.803 120.570 0.068 0.000 2.509 830 I HA 0.410 4.596 4.170 0.027 0.000 0.293 830 I C -0.341 175.810 176.117 0.056 0.000 1.020 830 I CA -0.885 60.500 61.300 0.141 0.000 1.088 830 I CB 2.520 40.748 38.000 0.379 0.000 1.267 830 I HN 0.213 nan 8.210 nan 0.000 0.430 831 I N 4.971 125.527 120.570 -0.024 0.000 2.336 831 I HA 0.315 4.501 4.170 0.027 0.000 0.292 831 I C -0.937 175.218 176.117 0.063 0.000 0.991 831 I CA -0.321 61.000 61.300 0.035 0.000 1.227 831 I CB 1.065 39.047 38.000 -0.030 0.000 1.366 831 I HN 0.346 nan 8.210 nan 0.000 0.466 832 F N 6.200 126.208 119.950 0.096 0.000 2.411 832 F HA 0.482 5.025 4.527 0.027 0.000 0.352 832 F C 0.201 176.069 175.800 0.113 0.000 1.123 832 F CA -0.422 57.644 58.000 0.110 0.000 1.044 832 F CB 1.311 40.382 39.000 0.119 0.000 1.135 832 F HN 0.310 nan 8.300 nan 0.000 0.461 833 K N 2.805 123.315 120.400 0.183 0.000 2.464 833 K HA 0.423 4.759 4.320 0.027 0.000 0.253 833 K C -1.910 174.808 176.600 0.196 0.000 0.933 833 K CA -0.820 55.576 56.287 0.182 0.000 0.801 833 K CB 1.454 34.024 32.500 0.117 0.000 1.271 833 K HN 0.748 nan 8.250 nan 0.000 0.430 834 H N 1.456 120.596 119.070 0.117 0.000 2.495 834 H HA 0.566 5.138 4.556 0.027 0.000 0.348 834 H C 0.499 175.881 175.328 0.090 0.000 1.113 834 H CA 0.815 56.924 56.048 0.102 0.000 1.195 834 H CB 1.965 31.789 29.762 0.103 0.000 1.521 834 H HN 0.771 nan 8.280 nan 0.000 0.509 835 G N 3.992 112.547 108.800 -0.409 0.000 2.617 835 G HA2 -0.176 3.800 3.960 0.027 0.000 0.197 835 G HA3 -0.176 3.800 3.960 0.027 0.000 0.197 835 G C -0.586 174.264 174.900 -0.083 0.000 1.017 835 G CA 0.032 45.018 45.100 -0.190 0.000 0.713 835 G HN 0.636 nan 8.290 nan 0.000 0.481 836 D N 1.061 121.441 120.400 -0.034 0.000 2.248 836 D HA 0.470 5.126 4.640 0.027 0.000 0.246 836 D C -1.208 175.092 176.300 -0.000 0.000 1.027 836 D CA -0.350 53.661 54.000 0.018 0.000 0.853 836 D CB 1.973 42.819 40.800 0.078 0.000 1.243 836 D HN 0.105 nan 8.370 nan 0.000 0.462 837 D N 1.646 122.053 120.400 0.012 0.000 2.374 837 D HA 0.053 4.709 4.640 0.027 0.000 0.240 837 D C 0.790 177.106 176.300 0.026 0.000 1.229 837 D CA -0.332 53.673 54.000 0.008 0.000 0.895 837 D CB 0.543 41.345 40.800 0.004 0.000 1.046 837 D HN 0.051 nan 8.370 nan 0.000 0.498 838 L N 3.797 125.035 121.223 0.024 0.000 2.465 838 L HA 0.059 4.415 4.340 0.027 0.000 0.224 838 L C 2.220 179.098 176.870 0.013 0.000 1.145 838 L CA 0.908 55.769 54.840 0.034 0.000 0.834 838 L CB -0.334 41.742 42.059 0.029 0.000 0.944 838 L HN 0.430 nan 8.230 nan 0.000 0.451 839 R N -0.910 119.584 120.500 -0.011 0.000 2.075 839 R HA -0.158 4.198 4.340 0.027 0.000 0.232 839 R C 2.052 178.316 176.300 -0.060 0.000 1.126 839 R CA 1.274 57.343 56.100 -0.052 0.000 0.963 839 R CB -0.292 29.971 30.300 -0.062 0.000 0.858 839 R HN 0.539 nan 8.270 nan 0.000 0.435 840 Q N 0.633 120.418 119.800 -0.025 0.000 2.084 840 Q HA -0.174 4.182 4.340 0.027 0.000 0.202 840 Q C 1.395 177.402 176.000 0.012 0.000 0.978 840 Q CA 1.804 57.599 55.803 -0.015 0.000 0.844 840 Q CB -0.139 28.612 28.738 0.021 0.000 0.898 840 Q HN 0.403 nan 8.270 nan 0.000 0.426 841 D N 0.511 120.953 120.400 0.071 0.000 2.117 841 D HA -0.138 4.518 4.640 0.027 0.000 0.197 841 D C 1.889 178.194 176.300 0.010 0.000 0.987 841 D CA 1.180 55.265 54.000 0.143 0.000 0.829 841 D CB -0.015 40.908 40.800 0.205 0.000 0.961 841 D HN 0.156 nan 8.370 nan 0.000 0.460 842 M N -0.062 119.510 119.600 -0.046 0.000 2.065 842 M HA -0.169 4.327 4.480 0.027 0.000 0.259 842 M C 1.770 177.960 176.300 -0.183 0.000 1.069 842 M CA 0.935 56.161 55.300 -0.124 0.000 1.110 842 M CB -0.279 32.226 32.600 -0.159 0.000 1.328 842 M HN 0.107 nan 8.290 nan 0.000 0.405 843 L N 0.623 121.740 121.223 -0.176 0.000 1.971 843 L HA -0.240 4.116 4.340 0.027 0.000 0.215 843 L C 2.441 179.194 176.870 -0.195 0.000 1.072 843 L CA 1.911 56.639 54.840 -0.186 0.000 0.758 843 L CB -1.357 40.606 42.059 -0.159 0.000 0.889 843 L HN 0.309 nan 8.230 nan 0.000 0.433 844 I N -1.163 119.280 120.570 -0.211 0.000 2.179 844 I HA -0.283 3.903 4.170 0.027 0.000 0.242 844 I C 2.536 178.420 176.117 -0.389 0.000 1.088 844 I CA 0.982 62.087 61.300 -0.326 0.000 1.357 844 I CB -1.086 36.629 38.000 -0.475 0.000 1.051 844 I HN 0.213 nan 8.210 nan 0.000 0.409 845 L N 0.559 121.574 121.223 -0.348 0.000 2.043 845 L HA -0.232 4.125 4.340 0.027 0.000 0.212 845 L C 2.595 179.315 176.870 -0.250 0.000 1.075 845 L CA 1.762 56.415 54.840 -0.312 0.000 0.752 845 L CB -1.368 40.524 42.059 -0.279 0.000 0.891 845 L HN 0.287 nan 8.230 nan 0.000 0.432 846 Q N -0.618 119.047 119.800 -0.226 0.000 2.123 846 Q HA -0.077 4.279 4.340 0.027 0.000 0.199 846 Q C 2.229 178.108 176.000 -0.200 0.000 0.966 846 Q CA 1.382 57.065 55.803 -0.201 0.000 0.845 846 Q CB -0.161 28.453 28.738 -0.207 0.000 0.907 846 Q HN 0.511 nan 8.270 nan 0.000 0.439 847 I N -0.386 120.059 120.570 -0.208 0.000 2.315 847 I HA -0.245 3.941 4.170 0.027 0.000 0.248 847 I C 1.434 177.400 176.117 -0.252 0.000 1.117 847 I CA 0.426 61.606 61.300 -0.199 0.000 1.404 847 I CB -0.159 37.747 38.000 -0.158 0.000 1.071 847 I HN 0.228 nan 8.210 nan 0.000 0.419 848 L N 0.558 121.620 121.223 -0.269 0.000 2.083 848 L HA -0.171 4.185 4.340 0.027 0.000 0.209 848 L C 2.581 179.305 176.870 -0.244 0.000 1.083 848 L CA 1.730 56.404 54.840 -0.277 0.000 0.752 848 L CB -0.846 41.056 42.059 -0.261 0.000 0.899 848 L HN 0.154 nan 8.230 nan 0.000 0.433 849 R N -0.833 119.553 120.500 -0.189 0.000 2.115 849 R HA -0.073 4.283 4.340 0.027 0.000 0.230 849 R C 2.262 178.457 176.300 -0.176 0.000 1.111 849 R CA 1.226 57.257 56.100 -0.115 0.000 0.976 849 R CB -0.439 29.833 30.300 -0.045 0.000 0.870 849 R HN 0.350 nan 8.270 nan 0.000 0.445 850 I N 0.716 121.124 120.570 -0.270 0.000 2.252 850 I HA -0.257 3.930 4.170 0.027 0.000 0.245 850 I C 2.477 178.309 176.117 -0.475 0.000 1.102 850 I CA 1.326 62.395 61.300 -0.386 0.000 1.385 850 I CB -0.151 37.653 38.000 -0.327 0.000 1.064 850 I HN 0.115 nan 8.210 nan 0.000 0.414 851 M N -0.194 119.079 119.600 -0.546 0.000 2.159 851 M HA -0.204 4.292 4.480 0.027 0.000 0.263 851 M C 2.141 177.829 176.300 -1.021 0.000 1.063 851 M CA 1.684 56.417 55.300 -0.944 0.000 1.110 851 M CB -0.437 31.563 32.600 -0.999 0.000 1.374 851 M HN 0.199 nan 8.290 nan 0.000 0.411 852 E N -0.488 119.437 120.200 -0.458 0.000 2.106 852 E HA -0.158 4.208 4.350 0.027 0.000 0.192 852 E C 2.106 178.649 176.600 -0.095 0.000 0.984 852 E CA 1.235 57.584 56.400 -0.085 0.000 0.806 852 E CB -0.089 29.602 29.700 -0.014 0.000 0.750 852 E HN 0.344 nan 8.360 nan 0.000 0.458 853 S N 0.366 115.923 115.700 -0.239 0.000 2.406 853 S HA -0.042 4.444 4.470 0.027 0.000 0.228 853 S C 1.949 176.382 174.600 -0.278 0.000 1.020 853 S CA 0.373 58.413 58.200 -0.268 0.000 0.965 853 S CB -0.013 62.852 63.200 -0.558 0.000 0.798 853 S HN 0.155 nan 8.310 nan 0.000 0.488 854 I N 0.087 120.400 120.570 -0.429 0.000 2.202 854 I HA -0.135 4.051 4.170 0.027 0.000 0.242 854 I C 1.962 177.949 176.117 -0.217 0.000 1.091 854 I CA 0.863 61.867 61.300 -0.493 0.000 1.368 854 I CB -0.326 37.215 38.000 -0.766 0.000 1.058 854 I HN 0.417 nan 8.210 nan 0.000 0.410 855 W N 1.227 122.437 121.300 -0.151 0.000 2.425 855 W HA -0.139 4.537 4.660 0.027 0.000 0.277 855 W C 2.436 178.942 176.519 -0.022 0.000 1.231 855 W CA 0.882 58.164 57.345 -0.104 0.000 1.248 855 W CB -0.909 28.471 29.460 -0.133 0.000 1.117 855 W HN 0.315 nan 8.180 nan 0.000 0.568 856 E N 0.329 120.646 120.200 0.195 0.000 2.106 856 E HA -0.197 4.169 4.350 0.027 0.000 0.192 856 E C 2.165 178.814 176.600 0.081 0.000 0.984 856 E CA 2.208 58.715 56.400 0.178 0.000 0.806 856 E CB -0.100 29.672 29.700 0.121 0.000 0.750 856 E HN 0.154 nan 8.360 nan 0.000 0.458 857 T N -1.464 113.117 114.554 0.044 0.000 2.946 857 T HA -0.136 4.230 4.350 0.027 0.000 0.271 857 T C 1.032 175.768 174.700 0.059 0.000 1.104 857 T CA 1.282 63.406 62.100 0.039 0.000 1.114 857 T CB -0.128 68.767 68.868 0.045 0.000 0.867 857 T HN 0.196 nan 8.240 nan 0.000 0.513 858 E N 0.470 120.718 120.200 0.081 0.000 2.789 858 E HA 0.329 4.695 4.350 0.027 0.000 0.208 858 E C 0.001 176.644 176.600 0.072 0.000 0.988 858 E CA -0.282 56.160 56.400 0.070 0.000 1.092 858 E CB 0.526 30.267 29.700 0.068 0.000 1.066 858 E HN 0.340 nan 8.360 nan 0.000 0.465 859 S N 0.777 116.526 115.700 0.083 0.000 3.477 859 S HA -0.197 4.289 4.470 0.027 0.000 0.357 859 S C 0.175 174.950 174.600 0.291 0.000 1.083 859 S CA 0.628 58.892 58.200 0.106 0.000 1.042 859 S CB -1.235 61.985 63.200 0.032 0.000 0.911 859 S HN 0.389 nan 8.310 nan 0.000 0.490 860 L N 1.179 122.549 121.223 0.246 0.000 2.325 860 L HA 0.615 4.971 4.340 0.027 0.000 0.278 860 L C 0.041 176.889 176.870 -0.035 0.000 1.023 860 L CA -0.577 54.282 54.840 0.032 0.000 0.811 860 L CB 1.303 43.268 42.059 -0.158 0.000 1.249 860 L HN 0.061 nan 8.230 nan 0.000 0.431 861 D N 3.262 123.441 120.400 -0.369 0.000 2.421 861 D HA 0.184 4.840 4.640 0.027 0.000 0.254 861 D C 0.092 176.137 176.300 -0.426 0.000 1.238 861 D CA -0.390 53.331 54.000 -0.464 0.000 0.919 861 D CB 1.430 41.730 40.800 -0.834 0.000 1.152 861 D HN 0.264 nan 8.370 nan 0.000 0.552 862 L N 2.658 123.654 121.223 -0.377 0.000 2.627 862 L HA 0.116 4.472 4.340 0.027 0.000 0.232 862 L C 0.832 177.625 176.870 -0.128 0.000 1.150 862 L CA 0.080 54.664 54.840 -0.427 0.000 0.917 862 L CB -1.314 40.246 42.059 -0.832 0.000 1.104 862 L HN 0.614 nan 8.230 nan 0.000 0.445 863 C N 0.481 119.758 119.300 -0.038 0.000 4.165 863 C HA -0.207 4.269 4.460 0.027 0.000 0.299 863 C C 1.469 176.538 174.990 0.132 0.000 1.445 863 C CA -0.205 58.848 59.018 0.058 0.000 2.029 863 C CB -3.142 24.666 27.740 0.113 0.000 1.288 863 C HN 0.339 nan 8.230 nan 0.000 0.752 864 L N -0.631 120.643 121.223 0.086 0.000 2.473 864 L HA 0.275 4.631 4.340 0.027 0.000 0.268 864 L C 0.558 177.553 176.870 0.210 0.000 1.215 864 L CA -0.041 54.867 54.840 0.114 0.000 0.823 864 L CB 0.122 42.093 42.059 -0.147 0.000 1.099 864 L HN 0.097 nan 8.230 nan 0.000 0.483 865 L N 3.353 124.802 121.223 0.377 0.000 2.581 865 L HA 0.338 4.694 4.340 0.027 0.000 0.241 865 L C -2.160 174.819 176.870 0.182 0.000 1.265 865 L CA -1.154 53.794 54.840 0.181 0.000 0.954 865 L CB 0.648 42.675 42.059 -0.055 0.000 1.269 865 L HN 0.281 nan 8.230 nan 0.000 0.475 866 P HA 0.167 nan 4.420 nan 0.000 0.247 866 P C -0.717 176.487 177.300 -0.160 0.000 1.756 866 P CA -0.379 62.661 63.100 -0.099 0.000 1.117 866 P CB -0.585 31.051 31.700 -0.108 0.000 1.869 867 Y N 0.172 120.457 120.300 -0.026 0.000 2.652 867 Y HA 0.379 4.945 4.550 0.027 0.000 0.344 867 Y C 1.153 176.967 175.900 -0.144 0.000 1.254 867 Y CA -1.057 56.967 58.100 -0.126 0.000 1.480 867 Y CB -0.430 37.925 38.460 -0.176 0.000 1.345 867 Y HN 0.310 nan 8.280 nan 0.000 0.617 868 G N 0.322 109.043 108.800 -0.132 0.000 2.432 868 G HA2 0.304 4.280 3.960 0.027 0.000 0.239 868 G HA3 0.304 4.280 3.960 0.027 0.000 0.239 868 G C -1.216 173.559 174.900 -0.209 0.000 1.291 868 G CA -0.166 44.781 45.100 -0.256 0.000 0.863 868 G HN 1.084 nan 8.290 nan 0.000 0.560 869 C N 4.524 123.808 119.300 -0.027 0.000 2.817 869 C HA 0.537 5.013 4.460 0.027 0.000 0.385 869 C C -1.125 173.912 174.990 0.079 0.000 1.050 869 C CA -1.011 58.027 59.018 0.032 0.000 1.245 869 C CB -0.027 27.754 27.740 0.069 0.000 1.706 869 C HN 0.584 nan 8.230 nan 0.000 0.488 870 I N 5.196 125.805 120.570 0.065 0.000 2.410 870 I HA 0.313 4.499 4.170 0.027 0.000 0.286 870 I C 0.576 176.704 176.117 0.018 0.000 1.009 870 I CA 0.238 61.574 61.300 0.061 0.000 1.111 870 I CB 1.609 39.589 38.000 -0.033 0.000 1.262 870 I HN 0.739 nan 8.210 nan 0.000 0.443 871 S N 3.813 119.547 115.700 0.058 0.000 2.548 871 S HA 0.321 4.807 4.470 0.027 0.000 0.277 871 S C 1.100 175.764 174.600 0.107 0.000 1.315 871 S CA 0.049 58.281 58.200 0.053 0.000 1.050 871 S CB 0.431 63.650 63.200 0.033 0.000 0.918 871 S HN 0.786 nan 8.310 nan 0.000 0.497 872 T N 1.418 116.039 114.554 0.113 0.000 2.958 872 T HA 0.542 4.908 4.350 0.027 0.000 0.256 872 T C 0.748 175.545 174.700 0.162 0.000 0.983 872 T CA 0.232 62.447 62.100 0.193 0.000 0.924 872 T CB 0.321 69.316 68.868 0.212 0.000 1.136 872 T HN 0.868 nan 8.240 nan 0.000 0.506 873 G N 0.811 109.684 108.800 0.122 0.000 2.494 873 G HA2 0.431 4.407 3.960 0.027 0.000 0.308 873 G HA3 0.431 4.407 3.960 0.027 0.000 0.308 873 G C -2.117 172.837 174.900 0.090 0.000 1.263 873 G CA -0.627 44.538 45.100 0.108 0.000 0.840 873 G HN 0.132 nan 8.290 nan 0.000 0.479 874 D N 0.446 120.903 120.400 0.095 0.000 2.371 874 D HA 0.333 4.989 4.640 0.027 0.000 0.256 874 D C 1.063 177.391 176.300 0.047 0.000 1.193 874 D CA 0.315 54.358 54.000 0.071 0.000 0.881 874 D CB 0.523 41.373 40.800 0.083 0.000 1.143 874 D HN 0.485 nan 8.370 nan 0.000 0.473 875 K N 1.268 121.653 120.400 -0.025 0.000 3.580 875 K HA -0.278 4.059 4.320 0.027 0.000 0.288 875 K C 0.466 177.025 176.600 -0.068 0.000 1.160 875 K CA 0.908 57.114 56.287 -0.134 0.000 1.053 875 K CB -1.873 30.371 32.500 -0.427 0.000 1.362 875 K HN 0.565 nan 8.250 nan 0.000 0.436 876 I N -0.036 120.571 120.570 0.062 0.000 2.677 876 I HA 0.504 4.690 4.170 0.027 0.000 0.305 876 I C 0.747 176.917 176.117 0.089 0.000 0.988 876 I CA 1.320 62.706 61.300 0.144 0.000 1.260 876 I CB 1.607 39.754 38.000 0.246 0.000 1.410 876 I HN 0.376 nan 8.210 nan 0.000 0.523 877 G N 5.902 114.739 108.800 0.061 0.000 2.341 877 G HA2 0.307 4.283 3.960 0.027 0.000 0.293 877 G HA3 0.307 4.283 3.960 0.027 0.000 0.293 877 G C -1.372 173.377 174.900 -0.251 0.000 1.298 877 G CA -0.401 44.668 45.100 -0.051 0.000 0.868 877 G HN 0.755 nan 8.290 nan 0.000 0.540 878 M N -0.957 118.437 119.600 -0.343 0.000 2.724 878 M HA 0.934 5.430 4.480 0.027 0.000 0.310 878 M C -1.176 175.017 176.300 -0.179 0.000 1.217 878 M CA -0.995 54.019 55.300 -0.477 0.000 0.894 878 M CB 2.266 34.451 32.600 -0.691 0.000 1.719 878 M HN 0.484 nan 8.290 nan 0.000 0.479 879 I N 0.459 120.935 120.570 -0.156 0.000 2.656 879 I HA 0.285 4.471 4.170 0.027 0.000 0.292 879 I C -0.622 175.343 176.117 -0.254 0.000 1.144 879 I CA -0.543 60.671 61.300 -0.144 0.000 1.038 879 I CB 2.493 40.437 38.000 -0.094 0.000 1.244 879 I HN 0.829 nan 8.210 nan 0.000 0.420 880 E N 6.084 125.962 120.200 -0.537 0.000 2.344 880 E HA 0.263 4.629 4.350 0.027 0.000 0.270 880 E C -0.893 175.518 176.600 -0.316 0.000 1.021 880 E CA -0.322 55.704 56.400 -0.622 0.000 0.887 880 E CB 0.826 30.000 29.700 -0.877 0.000 0.997 880 E HN 0.426 nan 8.360 nan 0.000 0.429 881 I N 5.243 125.672 120.570 -0.234 0.000 2.337 881 I HA 0.047 4.233 4.170 0.027 0.000 0.291 881 I C -0.158 175.879 176.117 -0.132 0.000 1.046 881 I CA -0.634 60.511 61.300 -0.259 0.000 1.324 881 I CB 1.208 38.922 38.000 -0.477 0.000 1.409 881 I HN 0.327 nan 8.210 nan 0.000 0.494 882 V N 7.782 127.632 119.914 -0.108 0.000 2.521 882 V HA 0.063 4.199 4.120 0.027 0.000 0.286 882 V C 0.640 176.777 176.094 0.072 0.000 1.034 882 V CA -0.474 61.788 62.300 -0.062 0.000 1.045 882 V CB 0.410 32.098 31.823 -0.225 0.000 0.974 882 V HN 0.535 nan 8.190 nan 0.000 0.480 883 K N 3.308 123.758 120.400 0.084 0.000 2.270 883 K HA 0.160 4.497 4.320 0.027 0.000 0.276 883 K C 0.302 177.006 176.600 0.174 0.000 1.023 883 K CA -0.089 56.280 56.287 0.137 0.000 0.955 883 K CB 0.302 32.870 32.500 0.114 0.000 0.975 883 K HN 0.787 nan 8.250 nan 0.000 0.471 884 D N -0.661 119.860 120.400 0.202 0.000 2.723 884 D HA -0.197 4.459 4.640 0.027 0.000 0.236 884 D C -0.577 175.893 176.300 0.284 0.000 1.138 884 D CA 1.104 55.233 54.000 0.215 0.000 0.676 884 D CB -1.137 39.763 40.800 0.165 0.000 1.069 884 D HN 0.599 nan 8.370 nan 0.000 0.430 885 A N -0.264 122.732 122.820 0.295 0.000 2.374 885 A HA 0.820 5.156 4.320 0.027 0.000 0.317 885 A C 0.298 178.003 177.584 0.202 0.000 1.094 885 A CA -0.283 51.931 52.037 0.294 0.000 0.765 885 A CB 1.836 21.070 19.000 0.389 0.000 1.268 885 A HN 0.017 nan 8.150 nan 0.000 0.438 886 T N 0.427 115.017 114.554 0.060 0.000 2.906 886 T HA 0.556 4.922 4.350 0.027 0.000 0.295 886 T C -0.024 174.550 174.700 -0.209 0.000 1.075 886 T CA -0.467 61.600 62.100 -0.056 0.000 1.005 886 T CB 1.513 70.340 68.868 -0.068 0.000 1.136 886 T HN 0.585 nan 8.240 nan 0.000 0.498 887 T N 2.255 116.697 114.554 -0.186 0.000 2.898 887 T HA 0.158 4.524 4.350 0.027 0.000 0.301 887 T C 1.667 176.226 174.700 -0.235 0.000 1.049 887 T CA -0.603 61.364 62.100 -0.221 0.000 1.095 887 T CB 0.186 68.960 68.868 -0.157 0.000 0.976 887 T HN 0.382 nan 8.240 nan 0.000 0.539 888 I N 1.740 122.187 120.570 -0.204 0.000 2.286 888 I HA -0.129 4.057 4.170 0.027 0.000 0.248 888 I C 2.662 178.730 176.117 -0.082 0.000 1.115 888 I CA 1.191 62.414 61.300 -0.129 0.000 1.392 888 I CB -1.910 36.100 38.000 0.018 0.000 1.065 888 I HN 0.738 nan 8.210 nan 0.000 0.418 889 A N 1.017 123.802 122.820 -0.058 0.000 1.902 889 A HA -0.224 4.112 4.320 0.027 0.000 0.217 889 A C 2.385 179.985 177.584 0.025 0.000 1.181 889 A CA 1.677 53.731 52.037 0.027 0.000 0.623 889 A CB -0.505 18.524 19.000 0.048 0.000 0.818 889 A HN 0.309 nan 8.150 nan 0.000 0.443 890 K N -0.297 120.081 120.400 -0.036 0.000 2.057 890 K HA -0.014 4.322 4.320 0.027 0.000 0.207 890 K C 1.634 178.211 176.600 -0.039 0.000 1.049 890 K CA 1.514 57.783 56.287 -0.030 0.000 0.931 890 K CB -0.337 32.134 32.500 -0.049 0.000 0.714 890 K HN 0.552 nan 8.250 nan 0.000 0.440 891 I N 0.946 121.434 120.570 -0.137 0.000 2.454 891 I HA -0.273 3.913 4.170 0.027 0.000 0.254 891 I C 2.283 178.387 176.117 -0.022 0.000 1.156 891 I CA 0.939 62.131 61.300 -0.180 0.000 1.433 891 I CB -0.124 37.576 38.000 -0.500 0.000 1.082 891 I HN 0.250 nan 8.210 nan 0.000 0.432 892 Q N 0.187 119.997 119.800 0.017 0.000 2.061 892 Q HA -0.159 4.197 4.340 0.027 0.000 0.195 892 Q C 2.149 178.188 176.000 0.065 0.000 0.967 892 Q CA 0.972 56.821 55.803 0.077 0.000 0.829 892 Q CB -0.509 28.338 28.738 0.181 0.000 0.900 892 Q HN 0.456 nan 8.270 nan 0.000 0.450 893 Q N 0.636 120.481 119.800 0.075 0.000 2.297 893 Q HA -0.143 4.213 4.340 0.027 0.000 0.208 893 Q C 1.949 177.976 176.000 0.045 0.000 0.981 893 Q CA 1.367 57.206 55.803 0.060 0.000 0.876 893 Q CB -0.016 28.763 28.738 0.069 0.000 0.921 893 Q HN 0.227 nan 8.270 nan 0.000 0.446 894 S N -0.268 115.465 115.700 0.055 0.000 2.368 894 S HA -0.100 4.386 4.470 0.027 0.000 0.225 894 S C 1.389 176.029 174.600 0.066 0.000 1.030 894 S CA 1.740 59.984 58.200 0.074 0.000 0.999 894 S CB -0.111 63.162 63.200 0.121 0.000 0.844 894 S HN 0.608 nan 8.310 nan 0.000 0.459 895 T N -1.815 112.772 114.554 0.055 0.000 3.533 895 T HA 0.640 5.006 4.350 0.027 0.000 0.275 895 T C 0.198 174.896 174.700 -0.003 0.000 1.000 895 T CA -0.152 61.973 62.100 0.041 0.000 1.015 895 T CB 0.728 69.642 68.868 0.077 0.000 1.153 895 T HN 0.123 nan 8.240 nan 0.000 0.504 896 V N -0.874 119.025 119.914 -0.025 0.000 3.218 896 V HA 0.477 4.613 4.120 0.027 0.000 0.212 896 V C 1.173 177.226 176.094 -0.069 0.000 1.596 896 V CA 0.125 62.376 62.300 -0.081 0.000 1.113 896 V CB -0.137 31.602 31.823 -0.141 0.000 1.081 896 V HN 0.928 nan 8.190 nan 0.000 0.483 897 G N 3.005 111.789 108.800 -0.026 0.000 2.675 897 G HA2 -0.234 3.742 3.960 0.027 0.000 0.196 897 G HA3 -0.234 3.742 3.960 0.027 0.000 0.196 897 G C -0.045 174.861 174.900 0.009 0.000 0.679 897 G CA 0.454 45.555 45.100 0.002 0.000 0.886 897 G HN 1.102 nan 8.290 nan 0.000 0.320 898 N N 0.908 119.651 118.700 0.072 0.000 2.678 898 N HA -0.201 4.555 4.740 0.027 0.000 0.268 898 N C 1.070 176.662 175.510 0.136 0.000 1.010 898 N CA 1.851 55.003 53.050 0.170 0.000 0.784 898 N CB -0.889 37.669 38.487 0.117 0.000 0.905 898 N HN 0.746 nan 8.380 nan 0.000 0.552 899 T N -2.103 112.400 114.554 -0.084 0.000 3.409 899 T HA 0.563 4.929 4.350 0.027 0.000 0.242 899 T C 1.471 175.619 174.700 -0.920 0.000 1.000 899 T CA 0.420 62.333 62.100 -0.312 0.000 1.180 899 T CB 0.660 69.363 68.868 -0.275 0.000 1.210 899 T HN 0.665 nan 8.240 nan 0.000 0.373 900 G N 1.193 109.223 108.800 -1.283 0.000 2.260 900 G HA2 0.016 3.992 3.960 0.027 0.000 0.179 900 G HA3 0.016 3.992 3.960 0.027 0.000 0.179 900 G C 0.522 174.517 174.900 -1.507 0.000 1.002 900 G CA 0.051 44.057 45.100 -1.823 0.000 0.677 900 G HN 0.841 nan 8.290 nan 0.000 0.486 901 A N 1.145 123.400 122.820 -0.941 0.000 3.046 901 A HA 0.600 4.936 4.320 0.027 0.000 0.259 901 A C 0.384 177.568 177.584 -0.667 0.000 1.843 901 A CA -0.207 51.425 52.037 -0.674 0.000 1.451 901 A CB -1.306 17.441 19.000 -0.421 0.000 1.025 901 A HN 0.569 nan 8.150 nan 0.000 0.625 902 F N 1.039 120.535 119.950 -0.757 0.000 2.546 902 F HA -0.000 4.543 4.527 0.027 0.000 0.388 902 F C 1.179 176.508 175.800 -0.786 0.000 1.051 902 F CA 0.425 57.805 58.000 -1.034 0.000 1.130 902 F CB 0.396 38.135 39.000 -2.102 0.000 1.044 902 F HN 0.358 nan 8.300 nan 0.000 0.553 903 K N 3.836 124.098 120.400 -0.229 0.000 2.312 903 K HA 0.045 4.381 4.320 0.027 0.000 0.287 903 K C 0.198 176.807 176.600 0.015 0.000 1.062 903 K CA -0.639 55.575 56.287 -0.122 0.000 0.934 903 K CB 0.746 33.174 32.500 -0.119 0.000 1.027 903 K HN 0.501 nan 8.250 nan 0.000 0.478 904 D N 3.106 123.536 120.400 0.050 0.000 2.378 904 D HA -0.138 4.518 4.640 0.027 0.000 0.222 904 D C 1.000 177.093 176.300 -0.345 0.000 0.980 904 D CA 0.958 54.991 54.000 0.054 0.000 0.907 904 D CB 0.328 41.121 40.800 -0.012 0.000 0.899 904 D HN 0.744 nan 8.370 nan 0.000 0.527 905 E N 0.069 119.983 120.200 -0.477 0.000 2.447 905 E HA -0.017 4.349 4.350 0.027 0.000 0.204 905 E C 1.674 178.031 176.600 -0.405 0.000 0.977 905 E CA 0.028 56.011 56.400 -0.695 0.000 0.950 905 E CB 0.492 29.735 29.700 -0.762 0.000 0.975 905 E HN -0.080 nan 8.360 nan 0.000 0.496 906 V N 1.893 121.685 119.914 -0.204 0.000 2.215 906 V HA -0.339 3.797 4.120 0.027 0.000 0.249 906 V C 2.485 178.633 176.094 0.090 0.000 1.054 906 V CA 2.094 64.363 62.300 -0.052 0.000 1.012 906 V CB -0.789 31.055 31.823 0.036 0.000 0.639 906 V HN 0.366 nan 8.190 nan 0.000 0.448 907 L N 0.452 121.744 121.223 0.115 0.000 2.010 907 L HA -0.297 4.059 4.340 0.027 0.000 0.219 907 L C 2.586 179.588 176.870 0.219 0.000 1.077 907 L CA 2.433 57.355 54.840 0.137 0.000 0.773 907 L CB -0.633 41.466 42.059 0.066 0.000 0.892 907 L HN 0.461 nan 8.230 nan 0.000 0.436 908 N N -0.896 117.928 118.700 0.206 0.000 2.205 908 N HA -0.236 4.521 4.740 0.027 0.000 0.186 908 N C 1.723 177.494 175.510 0.435 0.000 1.015 908 N CA 1.711 54.927 53.050 0.277 0.000 0.862 908 N CB -0.147 38.504 38.487 0.273 0.000 0.986 908 N HN 0.625 nan 8.380 nan 0.000 0.429 909 H N -2.332 116.907 119.070 0.282 0.000 2.307 909 H HA -0.126 4.446 4.556 0.027 0.000 0.303 909 H C 1.677 177.141 175.328 0.227 0.000 1.073 909 H CA 1.130 57.304 56.048 0.210 0.000 1.338 909 H CB -0.257 29.608 29.762 0.173 0.000 1.389 909 H HN 0.311 nan 8.280 nan 0.000 0.503 910 W N 2.058 123.496 121.300 0.230 0.000 2.308 910 W HA -0.251 4.425 4.660 0.027 0.000 0.301 910 W C 1.744 178.345 176.519 0.137 0.000 1.220 910 W CA 1.635 59.065 57.345 0.142 0.000 1.240 910 W CB -0.351 29.170 29.460 0.101 0.000 1.142 910 W HN 0.078 nan 8.180 nan 0.000 0.521 911 L N 0.259 121.734 121.223 0.420 0.000 2.056 911 L HA -0.182 4.174 4.340 0.027 0.000 0.207 911 L C 2.462 179.515 176.870 0.305 0.000 1.078 911 L CA 1.654 56.666 54.840 0.287 0.000 0.749 911 L CB -1.155 41.045 42.059 0.235 0.000 0.901 911 L HN -0.143 nan 8.230 nan 0.000 0.433 912 K N 0.775 121.423 120.400 0.413 0.000 2.057 912 K HA -0.225 4.111 4.320 0.027 0.000 0.207 912 K C 2.052 178.652 176.600 -0.001 0.000 1.049 912 K CA 1.487 57.851 56.287 0.128 0.000 0.931 912 K CB -0.191 32.214 32.500 -0.159 0.000 0.714 912 K HN 0.303 nan 8.250 nan 0.000 0.440 913 E N 0.003 120.178 120.200 -0.041 0.000 2.118 913 E HA -0.240 4.126 4.350 0.027 0.000 0.195 913 E C 1.128 177.614 176.600 -0.189 0.000 0.992 913 E CA 1.196 57.522 56.400 -0.123 0.000 0.804 913 E CB 0.112 29.726 29.700 -0.143 0.000 0.741 913 E HN 0.107 nan 8.360 nan 0.000 0.458 914 K N 0.424 120.658 120.400 -0.276 0.000 2.262 914 K HA 0.123 4.459 4.320 0.027 0.000 0.200 914 K C 0.814 177.339 176.600 -0.126 0.000 1.049 914 K CA 0.109 56.213 56.287 -0.304 0.000 0.979 914 K CB 0.133 32.280 32.500 -0.588 0.000 0.773 914 K HN -0.082 nan 8.250 nan 0.000 0.474 915 S N 2.782 118.469 115.700 -0.021 0.000 2.516 915 S HA 0.078 4.564 4.470 0.027 0.000 0.282 915 S C -1.682 172.927 174.600 0.014 0.000 1.286 915 S CA -0.909 57.322 58.200 0.052 0.000 1.066 915 S CB 1.036 64.370 63.200 0.223 0.000 0.884 915 S HN 0.026 nan 8.310 nan 0.000 0.491 916 P HA 0.036 nan 4.420 nan 0.000 0.225 916 P C 0.682 177.984 177.300 0.004 0.000 1.156 916 P CA 0.622 63.721 63.100 -0.002 0.000 0.787 916 P CB 0.171 31.871 31.700 0.000 0.000 0.802 917 T N -4.875 109.693 114.554 0.025 0.000 2.626 917 T HA 0.331 4.697 4.350 0.027 0.000 0.279 917 T C 0.636 175.363 174.700 0.044 0.000 0.983 917 T CA -0.535 61.579 62.100 0.023 0.000 1.059 917 T CB 1.283 70.168 68.868 0.028 0.000 1.396 917 T HN -0.310 nan 8.240 nan 0.000 0.519 918 E N -0.244 119.977 120.200 0.035 0.000 2.364 918 E HA 0.111 4.477 4.350 0.027 0.000 0.196 918 E C 1.566 178.252 176.600 0.144 0.000 0.990 918 E CA 0.452 56.878 56.400 0.043 0.000 0.886 918 E CB 0.243 29.934 29.700 -0.015 0.000 0.866 918 E HN 0.759 nan 8.360 nan 0.000 0.493 919 E N 0.754 121.012 120.200 0.098 0.000 2.021 919 E HA -0.086 4.280 4.350 0.027 0.000 0.189 919 E C 1.831 178.484 176.600 0.088 0.000 0.980 919 E CA 0.668 57.119 56.400 0.086 0.000 0.803 919 E CB 0.196 29.925 29.700 0.049 0.000 0.766 919 E HN 0.035 nan 8.360 nan 0.000 0.449 920 K N -0.006 120.439 120.400 0.075 0.000 2.211 920 K HA -0.182 4.154 4.320 0.027 0.000 0.204 920 K C 1.970 178.602 176.600 0.054 0.000 1.047 920 K CA 1.075 57.391 56.287 0.049 0.000 0.935 920 K CB -0.264 32.260 32.500 0.040 0.000 0.728 920 K HN 0.154 nan 8.250 nan 0.000 0.452 921 F N 2.397 122.337 119.950 -0.017 0.000 2.102 921 F HA -0.250 4.293 4.527 0.027 0.000 0.298 921 F C 2.406 178.192 175.800 -0.024 0.000 1.105 921 F CA 1.535 59.522 58.000 -0.021 0.000 1.239 921 F CB -0.012 38.974 39.000 -0.022 0.000 0.991 921 F HN -0.017 nan 8.300 nan 0.000 0.474 922 Q N 0.436 120.282 119.800 0.077 0.000 2.124 922 Q HA -0.140 4.216 4.340 0.027 0.000 0.202 922 Q C 2.496 178.438 176.000 -0.097 0.000 0.977 922 Q CA 1.506 57.310 55.803 0.002 0.000 0.850 922 Q CB -1.060 27.741 28.738 0.105 0.000 0.901 922 Q HN 0.551 nan 8.270 nan 0.000 0.429 923 A N 0.795 123.573 122.820 -0.071 0.000 1.933 923 A HA -0.051 4.285 4.320 0.027 0.000 0.218 923 A C 2.273 179.781 177.584 -0.128 0.000 1.175 923 A CA 1.743 53.728 52.037 -0.087 0.000 0.628 923 A CB -0.544 18.428 19.000 -0.047 0.000 0.814 923 A HN 0.351 nan 8.150 nan 0.000 0.444 924 A N -0.627 122.092 122.820 -0.168 0.000 2.015 924 A HA 0.093 4.429 4.320 0.027 0.000 0.219 924 A C 2.123 179.563 177.584 -0.241 0.000 1.163 924 A CA 1.626 53.553 52.037 -0.183 0.000 0.646 924 A CB -0.587 18.279 19.000 -0.224 0.000 0.806 924 A HN 0.373 nan 8.150 nan 0.000 0.448 925 V N -0.399 119.288 119.914 -0.379 0.000 2.407 925 V HA -0.152 3.984 4.120 0.027 0.000 0.245 925 V C 2.468 178.436 176.094 -0.210 0.000 1.041 925 V CA 2.032 64.110 62.300 -0.370 0.000 1.040 925 V CB -0.613 30.896 31.823 -0.524 0.000 0.671 925 V HN 0.637 nan 8.190 nan 0.000 0.455 926 E N 0.963 121.035 120.200 -0.215 0.000 2.058 926 E HA -0.252 4.114 4.350 0.027 0.000 0.194 926 E C 2.346 178.723 176.600 -0.372 0.000 0.997 926 E CA 1.755 57.988 56.400 -0.278 0.000 0.801 926 E CB -0.277 29.274 29.700 -0.248 0.000 0.746 926 E HN 0.442 nan 8.360 nan 0.000 0.450 927 R N -1.225 119.155 120.500 -0.200 0.000 2.092 927 R HA -0.099 4.257 4.340 0.027 0.000 0.231 927 R C 2.245 178.553 176.300 0.014 0.000 1.119 927 R CA 1.301 57.346 56.100 -0.092 0.000 0.970 927 R CB -0.475 29.812 30.300 -0.021 0.000 0.864 927 R HN 0.283 nan 8.270 nan 0.000 0.440 928 F N 0.502 120.389 119.950 -0.104 0.000 2.051 928 F HA -0.229 4.314 4.527 0.027 0.000 0.296 928 F C 1.920 177.726 175.800 0.009 0.000 1.122 928 F CA 1.761 59.713 58.000 -0.079 0.000 1.201 928 F CB -0.580 38.324 39.000 -0.160 0.000 0.978 928 F HN -0.208 nan 8.300 nan 0.000 0.472 929 V N 0.063 120.047 119.914 0.116 0.000 2.317 929 V HA -0.394 3.743 4.120 0.027 0.000 0.251 929 V C 2.170 178.431 176.094 0.277 0.000 1.065 929 V CA 2.334 64.765 62.300 0.219 0.000 1.049 929 V CB -1.245 30.743 31.823 0.274 0.000 0.651 929 V HN 0.499 nan 8.190 nan 0.000 0.450 930 Y N 0.962 121.248 120.300 -0.024 0.000 2.084 930 Y HA -0.264 4.303 4.550 0.027 0.000 0.279 930 Y C 3.057 178.896 175.900 -0.102 0.000 1.119 930 Y CA 1.304 59.350 58.100 -0.090 0.000 1.101 930 Y CB -0.505 37.898 38.460 -0.094 0.000 0.989 930 Y HN 0.419 nan 8.280 nan 0.000 0.484 931 S N -0.369 115.404 115.700 0.122 0.000 2.365 931 S HA -0.336 4.151 4.470 0.027 0.000 0.225 931 S C 2.120 176.814 174.600 0.157 0.000 1.039 931 S CA 1.411 59.705 58.200 0.157 0.000 1.033 931 S CB -1.483 61.816 63.200 0.165 0.000 0.887 931 S HN 0.640 nan 8.310 nan 0.000 0.447 932 C N 2.365 121.591 119.300 -0.123 0.000 2.393 932 C HA 0.019 4.496 4.460 0.027 0.000 0.276 932 C C 3.205 178.307 174.990 0.187 0.000 1.215 932 C CA 1.365 60.312 59.018 -0.119 0.000 1.743 932 C CB -1.879 25.509 27.740 -0.587 0.000 2.044 932 C HN 0.734 nan 8.230 nan 0.000 0.464 933 A N 0.375 123.307 122.820 0.186 0.000 1.883 933 A HA 0.064 4.400 4.320 0.027 0.000 0.217 933 A C 2.517 180.001 177.584 -0.168 0.000 1.186 933 A CA 2.353 54.357 52.037 -0.054 0.000 0.624 933 A CB -1.636 17.170 19.000 -0.323 0.000 0.822 933 A HN 0.774 nan 8.150 nan 0.000 0.444 934 G N -1.500 107.176 108.800 -0.207 0.000 2.491 934 G HA2 -0.277 3.699 3.960 0.027 0.000 0.218 934 G HA3 -0.277 3.699 3.960 0.027 0.000 0.218 934 G C 1.485 176.307 174.900 -0.130 0.000 1.180 934 G CA 1.386 46.298 45.100 -0.314 0.000 0.774 934 G HN 0.571 nan 8.290 nan 0.000 0.562 935 Y N -0.022 120.277 120.300 -0.002 0.000 2.263 935 Y HA -0.048 4.518 4.550 0.027 0.000 0.292 935 Y C 3.174 179.034 175.900 -0.066 0.000 1.130 935 Y CA 0.600 58.685 58.100 -0.025 0.000 1.179 935 Y CB -0.583 37.848 38.460 -0.048 0.000 0.998 935 Y HN 0.224 nan 8.280 nan 0.000 0.532 936 C N -0.807 118.523 119.300 0.050 0.000 2.398 936 C HA -0.186 4.290 4.460 0.027 0.000 0.276 936 C C 2.716 177.482 174.990 -0.373 0.000 1.222 936 C CA 1.245 60.064 59.018 -0.331 0.000 1.746 936 C CB -1.138 26.427 27.740 -0.291 0.000 2.039 936 C HN 0.362 nan 8.230 nan 0.000 0.470 937 V N 1.220 121.082 119.914 -0.088 0.000 2.255 937 V HA -0.132 4.004 4.120 0.027 0.000 0.243 937 V C 2.726 178.931 176.094 0.184 0.000 1.038 937 V CA 2.151 64.489 62.300 0.064 0.000 1.008 937 V CB -1.549 30.256 31.823 -0.031 0.000 0.645 937 V HN 0.561 nan 8.190 nan 0.000 0.449 938 A N -0.528 122.386 122.820 0.158 0.000 1.917 938 A HA -0.304 4.032 4.320 0.027 0.000 0.219 938 A C 2.444 180.067 177.584 0.064 0.000 1.182 938 A CA 2.824 54.908 52.037 0.078 0.000 0.633 938 A CB -1.069 17.930 19.000 -0.002 0.000 0.819 938 A HN 0.487 nan 8.150 nan 0.000 0.448 939 T N -1.843 112.771 114.554 0.100 0.000 2.777 939 T HA -0.099 4.268 4.350 0.027 0.000 0.266 939 T C 1.577 176.448 174.700 0.286 0.000 1.040 939 T CA 1.569 63.770 62.100 0.167 0.000 1.141 939 T CB -0.386 68.568 68.868 0.143 0.000 0.868 939 T HN 0.451 nan 8.240 nan 0.000 0.444 940 F N 1.838 121.908 119.950 0.199 0.000 2.075 940 F HA -0.047 4.496 4.527 0.027 0.000 0.297 940 F C 2.183 178.190 175.800 0.344 0.000 1.113 940 F CA 1.019 59.212 58.000 0.323 0.000 1.218 940 F CB -0.939 38.268 39.000 0.345 0.000 0.984 940 F HN -0.016 nan 8.300 nan 0.000 0.472 941 V N 1.119 121.009 119.914 -0.041 0.000 2.282 941 V HA -0.329 3.807 4.120 0.027 0.000 0.249 941 V C 2.539 178.621 176.094 -0.019 0.000 1.057 941 V CA 2.217 64.445 62.300 -0.121 0.000 1.032 941 V CB -0.918 30.899 31.823 -0.010 0.000 0.645 941 V HN 0.401 nan 8.190 nan 0.000 0.447 942 L N 0.286 121.548 121.223 0.064 0.000 2.465 942 L HA 0.184 4.541 4.340 0.027 0.000 0.224 942 L C 1.621 178.557 176.870 0.110 0.000 1.145 942 L CA 0.840 55.767 54.840 0.146 0.000 0.834 942 L CB -0.745 41.387 42.059 0.121 0.000 0.944 942 L HN 0.607 nan 8.230 nan 0.000 0.451 943 G N 1.658 110.476 108.800 0.030 0.000 2.272 943 G HA2 -0.282 3.694 3.960 0.027 0.000 0.280 943 G HA3 -0.282 3.694 3.960 0.027 0.000 0.280 943 G C 0.461 175.352 174.900 -0.014 0.000 1.067 943 G CA 0.545 45.473 45.100 -0.285 0.000 0.902 943 G HN 0.627 nan 8.290 nan 0.000 0.500 944 I N -3.920 116.761 120.570 0.186 0.000 3.813 944 I HA 0.517 4.703 4.170 0.027 0.000 0.323 944 I C 1.538 177.870 176.117 0.359 0.000 1.536 944 I CA 0.162 61.631 61.300 0.283 0.000 1.083 944 I CB 0.221 38.389 38.000 0.281 0.000 1.265 944 I HN 0.048 nan 8.210 nan 0.000 0.507 945 G N 0.970 110.012 108.800 0.404 0.000 2.394 945 G HA2 -0.218 3.758 3.960 0.027 0.000 0.215 945 G HA3 -0.218 3.758 3.960 0.027 0.000 0.215 945 G C 0.544 175.710 174.900 0.443 0.000 1.165 945 G CA 0.667 46.070 45.100 0.504 0.000 0.784 945 G HN 0.446 nan 8.290 nan 0.000 0.535 946 D N 0.964 121.603 120.400 0.398 0.000 2.498 946 D HA 0.144 4.800 4.640 0.027 0.000 0.229 946 D C 0.437 176.869 176.300 0.221 0.000 1.188 946 D CA -0.118 54.102 54.000 0.366 0.000 1.028 946 D CB -0.054 41.023 40.800 0.462 0.000 1.087 946 D HN -0.060 nan 8.370 nan 0.000 0.510 947 R N 1.491 122.007 120.500 0.026 0.000 2.758 947 R HA 0.366 4.723 4.340 0.027 0.000 0.265 947 R C 0.145 176.083 176.300 -0.603 0.000 1.016 947 R CA -0.747 55.141 56.100 -0.354 0.000 1.040 947 R CB 0.738 30.864 30.300 -0.290 0.000 1.152 947 R HN 0.553 nan 8.270 nan 0.000 0.503 948 H N 0.457 118.938 119.070 -0.983 0.000 2.690 948 H HA 0.060 4.633 4.556 0.027 0.000 0.365 948 H C 0.936 175.995 175.328 -0.447 0.000 1.142 948 H CA -0.665 54.869 56.048 -0.857 0.000 1.417 948 H CB 1.048 30.389 29.762 -0.702 0.000 1.446 948 H HN 0.405 nan 8.280 nan 0.000 0.599 949 N N 1.396 120.011 118.700 -0.142 0.000 2.270 949 N HA -0.157 4.599 4.740 0.027 0.000 0.181 949 N C 1.305 176.732 175.510 -0.138 0.000 1.016 949 N CA 1.053 54.022 53.050 -0.135 0.000 0.870 949 N CB -0.114 38.314 38.487 -0.099 0.000 0.979 949 N HN 0.669 nan 8.380 nan 0.000 0.431 950 D N -0.182 120.156 120.400 -0.103 0.000 2.264 950 D HA 0.010 4.666 4.640 0.027 0.000 0.208 950 D C 0.576 176.748 176.300 -0.213 0.000 0.966 950 D CA 0.831 54.759 54.000 -0.120 0.000 0.864 950 D CB -0.201 40.555 40.800 -0.074 0.000 0.933 950 D HN 0.288 nan 8.370 nan 0.000 0.499 951 N N -0.890 117.634 118.700 -0.293 0.000 2.313 951 N HA 0.196 4.953 4.740 0.027 0.000 0.207 951 N C -0.616 174.602 175.510 -0.487 0.000 1.141 951 N CA -0.037 52.766 53.050 -0.412 0.000 0.830 951 N CB 0.600 38.753 38.487 -0.557 0.000 1.008 951 N HN 0.205 nan 8.380 nan 0.000 0.481 952 I N 0.683 120.990 120.570 -0.439 0.000 2.582 952 I HA 0.379 4.565 4.170 0.027 0.000 0.292 952 I C -0.628 175.217 176.117 -0.452 0.000 1.066 952 I CA -0.602 60.403 61.300 -0.493 0.000 1.053 952 I CB 1.911 39.653 38.000 -0.431 0.000 1.241 952 I HN -0.176 nan 8.210 nan 0.000 0.421 953 M N 6.014 125.205 119.600 -0.681 0.000 2.644 953 M HA 0.631 5.127 4.480 0.027 0.000 0.304 953 M C -1.095 174.794 176.300 -0.685 0.000 1.215 953 M CA -0.756 54.086 55.300 -0.762 0.000 0.871 953 M CB 3.422 35.368 32.600 -1.091 0.000 1.740 953 M HN 0.493 nan 8.290 nan 0.000 0.464 954 I N 0.494 120.837 120.570 -0.378 0.000 2.730 954 I HA 0.557 4.743 4.170 0.027 0.000 0.298 954 I C -0.418 175.765 176.117 0.111 0.000 1.089 954 I CA -0.289 60.948 61.300 -0.106 0.000 1.041 954 I CB 2.521 40.451 38.000 -0.117 0.000 1.235 954 I HN 0.858 nan 8.210 nan 0.000 0.423 955 T N 0.929 115.655 114.554 0.286 0.000 2.934 955 T HA 0.355 4.721 4.350 0.027 0.000 0.283 955 T C 0.550 175.509 174.700 0.431 0.000 1.005 955 T CA -0.582 61.729 62.100 0.351 0.000 1.041 955 T CB 1.416 70.460 68.868 0.293 0.000 1.042 955 T HN 0.681 nan 8.240 nan 0.000 0.505 956 E N 0.009 120.460 120.200 0.418 0.000 2.527 956 E HA -0.045 4.321 4.350 0.027 0.000 0.204 956 E C 0.967 177.638 176.600 0.117 0.000 1.132 956 E CA 0.407 56.938 56.400 0.218 0.000 0.905 956 E CB -0.027 29.701 29.700 0.045 0.000 0.875 956 E HN 0.727 nan 8.360 nan 0.000 0.548 957 T N -1.984 112.665 114.554 0.159 0.000 3.111 957 T HA 0.289 4.655 4.350 0.027 0.000 0.284 957 T C 0.962 175.712 174.700 0.083 0.000 0.983 957 T CA 0.610 62.763 62.100 0.088 0.000 0.900 957 T CB 0.490 69.401 68.868 0.072 0.000 1.132 957 T HN 0.327 nan 8.240 nan 0.000 0.531 958 G N 1.871 110.757 108.800 0.144 0.000 2.213 958 G HA2 -0.205 3.771 3.960 0.027 0.000 0.236 958 G HA3 -0.205 3.771 3.960 0.027 0.000 0.236 958 G C 0.076 175.091 174.900 0.193 0.000 0.991 958 G CA -0.130 45.058 45.100 0.147 0.000 0.629 958 G HN 0.522 nan 8.290 nan 0.000 0.517 959 N N 0.946 119.758 118.700 0.187 0.000 2.416 959 N HA 0.383 5.139 4.740 0.027 0.000 0.265 959 N C 0.098 175.765 175.510 0.262 0.000 1.195 959 N CA -0.000 53.176 53.050 0.211 0.000 0.943 959 N CB 0.732 39.342 38.487 0.205 0.000 1.115 959 N HN 0.447 nan 8.380 nan 0.000 0.481 960 L N 4.887 126.197 121.223 0.145 0.000 2.399 960 L HA 0.632 4.988 4.340 0.027 0.000 0.266 960 L C -0.760 176.114 176.870 0.007 0.000 1.114 960 L CA -0.275 54.556 54.840 -0.015 0.000 0.804 960 L CB 0.440 42.352 42.059 -0.244 0.000 1.146 960 L HN 0.478 nan 8.230 nan 0.000 0.451 961 F N 0.368 120.066 119.950 -0.421 0.000 2.704 961 F HA 0.416 4.958 4.527 0.027 0.000 0.312 961 F C -1.024 174.587 175.800 -0.314 0.000 1.108 961 F CA -0.968 56.581 58.000 -0.753 0.000 1.005 961 F CB 0.474 39.395 39.000 -0.132 0.000 1.277 961 F HN 0.514 nan 8.300 nan 0.000 0.445 962 H N 3.062 121.928 119.070 -0.340 0.000 2.546 962 H HA 0.816 5.388 4.556 0.027 0.000 0.365 962 H C -0.051 175.200 175.328 -0.129 0.000 1.220 962 H CA -0.073 55.880 56.048 -0.159 0.000 1.386 962 H CB 2.192 32.017 29.762 0.107 0.000 1.510 962 H HN 0.770 nan 8.280 nan 0.000 0.591 963 I N -2.956 117.378 120.570 -0.394 0.000 3.509 963 I HA 0.244 4.430 4.170 0.027 0.000 0.311 963 I C -0.447 175.264 176.117 -0.676 0.000 1.178 963 I CA -1.007 60.048 61.300 -0.408 0.000 0.963 963 I CB 1.710 39.557 38.000 -0.254 0.000 1.352 963 I HN 0.475 nan 8.210 nan 0.000 0.482 964 D N 0.897 121.089 120.400 -0.347 0.000 2.720 964 D HA -0.201 4.455 4.640 0.027 0.000 0.229 964 D C 0.674 176.880 176.300 -0.156 0.000 1.198 964 D CA 1.045 54.925 54.000 -0.201 0.000 0.639 964 D CB -0.543 40.112 40.800 -0.241 0.000 1.003 964 D HN 0.519 nan 8.370 nan 0.000 0.411 965 F N -0.277 119.749 119.950 0.126 0.000 2.293 965 F HA -0.017 4.527 4.527 0.027 0.000 0.300 965 F C 2.751 178.607 175.800 0.093 0.000 1.086 965 F CA 0.911 58.973 58.000 0.104 0.000 1.375 965 F CB -0.023 39.033 39.000 0.094 0.000 1.045 965 F HN 0.219 nan 8.300 nan 0.000 0.516 966 G N -2.016 106.927 108.800 0.239 0.000 2.956 966 G HA2 -0.158 3.818 3.960 0.027 0.000 0.207 966 G HA3 -0.158 3.818 3.960 0.027 0.000 0.207 966 G C 1.020 176.013 174.900 0.156 0.000 1.162 966 G CA 0.300 45.497 45.100 0.163 0.000 0.796 966 G HN 0.358 nan 8.290 nan 0.000 0.527 967 H N 0.582 119.689 119.070 0.060 0.000 2.344 967 H HA 0.076 4.649 4.556 0.027 0.000 0.307 967 H C 2.560 177.953 175.328 0.107 0.000 1.057 967 H CA 1.252 57.335 56.048 0.057 0.000 1.373 967 H CB 0.180 29.941 29.762 -0.002 0.000 1.421 967 H HN 0.248 nan 8.280 nan 0.000 0.532 968 I N -0.321 120.360 120.570 0.185 0.000 2.193 968 I HA -0.134 4.052 4.170 0.027 0.000 0.240 968 I C 1.834 178.104 176.117 0.255 0.000 1.084 968 I CA 1.369 62.805 61.300 0.227 0.000 1.365 968 I CB -1.456 36.691 38.000 0.245 0.000 1.064 968 I HN 0.240 nan 8.210 nan 0.000 0.410 969 L N 1.714 123.054 121.223 0.195 0.000 2.265 969 L HA -0.023 4.334 4.340 0.027 0.000 0.215 969 L C 2.471 179.394 176.870 0.087 0.000 1.117 969 L CA 1.234 56.150 54.840 0.127 0.000 0.782 969 L CB -1.048 41.065 42.059 0.091 0.000 0.914 969 L HN 0.442 nan 8.230 nan 0.000 0.441 970 G N -0.082 108.766 108.800 0.079 0.000 3.181 970 G HA2 0.010 3.986 3.960 0.027 0.000 0.219 970 G HA3 0.010 3.986 3.960 0.027 0.000 0.219 970 G C 0.595 175.510 174.900 0.026 0.000 1.182 970 G CA 0.622 45.744 45.100 0.037 0.000 0.791 970 G HN 0.691 nan 8.290 nan 0.000 0.537 971 N N -3.259 115.484 118.700 0.072 0.000 2.316 971 N HA -0.086 4.670 4.740 0.027 0.000 0.330 971 N C 0.294 175.913 175.510 0.181 0.000 0.973 971 N CA -0.592 52.511 53.050 0.088 0.000 0.895 971 N CB -0.359 38.150 38.487 0.037 0.000 2.211 971 N HN 0.249 nan 8.380 nan 0.000 0.955 982 R N -0.968 119.557 120.500 0.041 0.000 2.810 982 R HA 0.916 5.273 4.340 0.027 0.000 0.266 982 R C -1.226 175.115 176.300 0.069 0.000 1.061 982 R CA -0.798 55.356 56.100 0.090 0.000 0.943 982 R CB 2.160 32.544 30.300 0.140 0.000 1.237 982 R HN 0.859 nan 8.270 nan 0.000 0.459 983 V N 1.321 121.297 119.914 0.102 0.000 3.012 983 V HA 0.331 4.467 4.120 0.027 0.000 0.307 983 V C -2.102 174.021 176.094 0.048 0.000 1.166 983 V CA -2.188 60.114 62.300 0.003 0.000 0.974 983 V CB 2.308 34.108 31.823 -0.039 0.000 1.040 983 V HN 0.547 nan 8.190 nan 0.000 0.428 984 P HA -0.101 nan 4.420 nan 0.000 0.209 984 P C 0.377 177.853 177.300 0.292 0.000 1.167 984 P CA 2.413 65.531 63.100 0.030 0.000 0.941 984 P CB -0.004 31.403 31.700 -0.487 0.000 0.787 985 F N -4.355 115.670 119.950 0.125 0.000 3.218 985 F HA 0.644 5.187 4.527 0.026 0.000 0.197 985 F C -0.738 175.142 175.800 0.133 0.000 1.585 985 F CA -0.930 57.189 58.000 0.199 0.000 0.982 985 F CB 0.156 39.306 39.000 0.250 0.000 1.909 985 F HN -0.472 nan 8.300 nan 0.000 0.262 986 V N 1.804 121.955 119.914 0.396 0.000 2.498 986 V HA 0.437 4.574 4.120 0.027 0.000 0.283 986 V C -1.455 174.748 176.094 0.183 0.000 1.015 986 V CA -0.159 62.219 62.300 0.130 0.000 0.867 986 V CB 1.433 33.341 31.823 0.142 0.000 1.025 986 V HN 0.558 nan 8.190 nan 0.000 0.441 987 L N 5.945 127.107 121.223 -0.101 0.000 2.783 987 L HA 0.447 4.803 4.340 0.027 0.000 0.265 987 L C 0.909 177.584 176.870 -0.324 0.000 1.398 987 L CA 0.143 54.963 54.840 -0.033 0.000 0.802 987 L CB 0.874 43.017 42.059 0.140 0.000 1.126 987 L HN 0.778 nan 8.230 nan 0.000 0.529 988 T N -1.309 112.832 114.554 -0.689 0.000 2.855 988 T HA 0.126 4.492 4.350 0.027 0.000 0.322 988 T C -1.655 172.635 174.700 -0.682 0.000 1.088 988 T CA -0.708 60.856 62.100 -0.893 0.000 1.104 988 T CB 0.187 68.363 68.868 -1.153 0.000 0.996 988 T HN 0.216 nan 8.240 nan 0.000 0.549 989 P HA -0.095 nan 4.420 nan 0.000 0.218 989 P C 1.153 178.395 177.300 -0.098 0.000 1.148 989 P CA 1.226 64.042 63.100 -0.472 0.000 0.822 989 P CB -0.109 31.250 31.700 -0.569 0.000 0.784 990 D N -1.365 119.035 120.400 -0.000 0.000 2.178 990 D HA -0.189 4.467 4.640 0.027 0.000 0.201 990 D C 1.543 178.043 176.300 0.332 0.000 0.980 990 D CA 1.208 55.361 54.000 0.254 0.000 0.842 990 D CB -1.385 39.637 40.800 0.369 0.000 0.948 990 D HN 0.093 nan 8.370 nan 0.000 0.472 991 F N 0.665 120.636 119.950 0.035 0.000 2.098 991 F HA 0.140 4.683 4.527 0.027 0.000 0.294 991 F C 2.388 178.241 175.800 0.089 0.000 1.107 991 F CA 0.200 58.299 58.000 0.166 0.000 1.234 991 F CB -1.000 38.152 39.000 0.254 0.000 1.002 991 F HN -0.029 nan 8.300 nan 0.000 0.472 992 L N -1.611 119.730 121.223 0.197 0.000 2.131 992 L HA -0.230 4.127 4.340 0.027 0.000 0.210 992 L C 2.386 179.305 176.870 0.081 0.000 1.092 992 L CA 0.883 55.757 54.840 0.056 0.000 0.759 992 L CB -0.696 41.308 42.059 -0.093 0.000 0.903 992 L HN 0.028 nan 8.230 nan 0.000 0.435 993 F N -0.033 119.902 119.950 -0.024 0.000 2.234 993 F HA -0.138 4.405 4.527 0.027 0.000 0.299 993 F C 2.102 177.889 175.800 -0.021 0.000 1.087 993 F CA 1.084 59.073 58.000 -0.019 0.000 1.340 993 F CB -0.082 38.913 39.000 -0.008 0.000 1.031 993 F HN -0.227 nan 8.300 nan 0.000 0.500 994 V N 0.099 119.962 119.914 -0.085 0.000 2.809 994 V HA -0.222 3.914 4.120 0.027 0.000 0.256 994 V C 1.796 177.773 176.094 -0.195 0.000 1.080 994 V CA 1.428 63.574 62.300 -0.257 0.000 1.102 994 V CB -0.678 30.784 31.823 -0.601 0.000 0.705 994 V HN 0.279 nan 8.190 nan 0.000 0.475 995 M N 0.195 119.766 119.600 -0.048 0.000 2.626 995 M HA 0.319 4.815 4.480 0.027 0.000 0.262 995 M C 1.573 177.935 176.300 0.103 0.000 1.256 995 M CA 0.590 55.939 55.300 0.081 0.000 0.981 995 M CB 0.110 32.830 32.600 0.201 0.000 1.492 995 M HN 0.431 nan 8.290 nan 0.000 0.474 996 G N 0.776 109.558 108.800 -0.029 0.000 2.216 996 G HA2 -0.269 3.707 3.960 0.027 0.000 0.269 996 G HA3 -0.269 3.707 3.960 0.027 0.000 0.269 996 G C 0.268 175.148 174.900 -0.033 0.000 0.981 996 G CA 1.023 46.095 45.100 -0.047 0.000 0.658 996 G HN 0.464 nan 8.290 nan 0.000 0.539 997 T N -0.471 114.065 114.554 -0.030 0.000 2.881 997 T HA 0.651 5.017 4.350 0.027 0.000 0.278 997 T C 0.015 174.711 174.700 -0.006 0.000 0.982 997 T CA 0.415 62.471 62.100 -0.073 0.000 0.989 997 T CB 1.887 70.593 68.868 -0.271 0.000 1.058 997 T HN 0.622 nan 8.240 nan 0.000 0.529 998 S N -0.825 114.859 115.700 -0.027 0.000 2.566 998 S HA 0.548 5.034 4.470 0.027 0.000 0.273 998 S C 0.867 175.435 174.600 -0.053 0.000 1.157 998 S CA 0.187 58.401 58.200 0.023 0.000 0.938 998 S CB 0.642 63.897 63.200 0.091 0.000 1.087 998 S HN 1.201 nan 8.310 nan 0.000 0.474 999 G N 5.058 113.816 108.800 -0.070 0.000 2.805 999 G HA2 -0.280 3.696 3.960 0.027 0.000 0.360 999 G HA3 -0.280 3.696 3.960 0.027 0.000 0.360 999 G C -0.045 174.784 174.900 -0.118 0.000 1.164 999 G CA 0.947 45.993 45.100 -0.090 0.000 0.954 999 G HN 0.686 nan 8.290 nan 0.000 0.597 1000 K N 1.475 121.823 120.400 -0.087 0.000 2.961 1000 K HA 0.416 4.752 4.320 0.027 0.000 0.187 1000 K C 0.463 177.023 176.600 -0.067 0.000 1.110 1000 K CA -0.084 56.154 56.287 -0.083 0.000 0.968 1000 K CB 1.228 33.697 32.500 -0.052 0.000 1.287 1000 K HN 0.590 nan 8.250 nan 0.000 0.578 1001 K N -0.193 120.147 120.400 -0.100 0.000 2.092 1001 K HA 0.521 4.857 4.320 0.027 0.000 0.256 1001 K C -0.635 175.914 176.600 -0.085 0.000 1.041 1001 K CA -0.392 55.856 56.287 -0.065 0.000 1.070 1001 K CB 1.402 33.874 32.500 -0.046 0.000 1.707 1001 K HN 0.037 nan 8.250 nan 0.000 0.750 1002 T N -0.169 114.369 114.554 -0.025 0.000 2.827 1002 T HA 0.327 4.693 4.350 0.027 0.000 0.328 1002 T C -1.861 172.903 174.700 0.106 0.000 1.598 1002 T CA -0.890 61.259 62.100 0.082 0.000 1.043 1002 T CB 1.454 70.420 68.868 0.163 0.000 1.447 1002 T HN 0.776 nan 8.240 nan 0.000 0.491 1003 S N 0.295 116.114 115.700 0.198 0.000 2.615 1003 S HA 0.648 5.134 4.470 0.027 0.000 0.269 1003 S C -2.562 172.140 174.600 0.171 0.000 1.161 1003 S CA -1.198 57.094 58.200 0.153 0.000 0.817 1003 S CB 1.668 64.950 63.200 0.138 0.000 1.131 1003 S HN 0.442 nan 8.310 nan 0.000 0.467 1004 P HA -0.161 nan 4.420 nan 0.000 0.215 1004 P C 1.102 178.428 177.300 0.044 0.000 1.153 1004 P CA 1.547 64.654 63.100 0.013 0.000 0.853 1004 P CB -0.322 31.316 31.700 -0.102 0.000 0.788 1005 H N -1.422 117.732 119.070 0.140 0.000 2.353 1005 H HA -0.103 4.469 4.556 0.027 0.000 0.300 1005 H C 2.012 177.488 175.328 0.246 0.000 1.090 1005 H CA 1.215 57.361 56.048 0.164 0.000 1.327 1005 H CB -1.008 28.836 29.762 0.136 0.000 1.383 1005 H HN 0.126 nan 8.280 nan 0.000 0.508 1006 F N 1.951 122.053 119.950 0.254 0.000 2.146 1006 F HA -0.144 4.399 4.527 0.027 0.000 0.298 1006 F C 2.459 178.427 175.800 0.279 0.000 1.096 1006 F CA 1.153 59.301 58.000 0.247 0.000 1.275 1006 F CB -0.170 38.918 39.000 0.145 0.000 1.008 1006 F HN 0.045 nan 8.300 nan 0.000 0.480 1007 Q N 0.285 120.141 119.800 0.094 0.000 2.084 1007 Q HA -0.254 4.102 4.340 0.027 0.000 0.202 1007 Q C 2.284 178.265 176.000 -0.031 0.000 0.978 1007 Q CA 1.975 57.765 55.803 -0.020 0.000 0.844 1007 Q CB -0.321 28.457 28.738 0.066 0.000 0.898 1007 Q HN 0.444 nan 8.270 nan 0.000 0.426 1008 K N 0.463 120.899 120.400 0.061 0.000 2.032 1008 K HA -0.215 4.121 4.320 0.027 0.000 0.209 1008 K C 1.909 178.552 176.600 0.073 0.000 1.048 1008 K CA 1.349 57.687 56.287 0.085 0.000 0.927 1008 K CB -0.286 32.310 32.500 0.160 0.000 0.712 1008 K HN 0.120 nan 8.250 nan 0.000 0.441 1009 F N 2.159 122.100 119.950 -0.016 0.000 2.043 1009 F HA -0.304 4.239 4.527 0.027 0.000 0.297 1009 F C 2.183 177.909 175.800 -0.123 0.000 1.118 1009 F CA 2.125 60.101 58.000 -0.040 0.000 1.202 1009 F CB -0.426 38.572 39.000 -0.004 0.000 0.965 1009 F HN 0.188 nan 8.300 nan 0.000 0.482 1010 Q N -0.589 119.010 119.800 -0.336 0.000 2.084 1010 Q HA -0.248 4.108 4.340 0.027 0.000 0.202 1010 Q C 1.882 177.745 176.000 -0.229 0.000 0.978 1010 Q CA 1.781 57.381 55.803 -0.337 0.000 0.844 1010 Q CB -0.442 28.122 28.738 -0.290 0.000 0.898 1010 Q HN 0.512 nan 8.270 nan 0.000 0.426 1011 D N 0.242 120.542 120.400 -0.167 0.000 2.264 1011 D HA -0.101 4.555 4.640 0.027 0.000 0.208 1011 D C 1.447 177.642 176.300 -0.176 0.000 0.966 1011 D CA 0.763 54.689 54.000 -0.122 0.000 0.864 1011 D CB 0.081 40.840 40.800 -0.068 0.000 0.933 1011 D HN 0.219 nan 8.370 nan 0.000 0.499 1012 I N -0.628 119.794 120.570 -0.246 0.000 2.400 1012 I HA -0.169 4.017 4.170 0.027 0.000 0.248 1012 I C 2.336 178.202 176.117 -0.418 0.000 1.109 1012 I CA 0.289 61.384 61.300 -0.341 0.000 1.425 1012 I CB -0.133 37.658 38.000 -0.348 0.000 1.094 1012 I HN 0.124 nan 8.210 nan 0.000 0.425 1013 C N 0.152 119.186 119.300 -0.443 0.000 2.422 1013 C HA -0.090 4.386 4.460 0.027 0.000 0.279 1013 C C 2.890 177.677 174.990 -0.338 0.000 1.305 1013 C CA 0.577 59.353 59.018 -0.404 0.000 1.757 1013 C CB -0.583 27.012 27.740 -0.242 0.000 1.962 1013 C HN 0.338 nan 8.230 nan 0.000 0.499 1014 V N 0.751 120.551 119.914 -0.191 0.000 2.323 1014 V HA -0.177 3.959 4.120 0.027 0.000 0.244 1014 V C 2.382 178.402 176.094 -0.123 0.000 1.041 1014 V CA 1.773 64.021 62.300 -0.087 0.000 1.025 1014 V CB -0.568 31.240 31.823 -0.025 0.000 0.656 1014 V HN 0.534 nan 8.190 nan 0.000 0.451 1015 K N 0.527 120.824 120.400 -0.173 0.000 2.009 1015 K HA -0.162 4.174 4.320 0.027 0.000 0.210 1015 K C 2.334 178.807 176.600 -0.211 0.000 1.049 1015 K CA 1.677 57.855 56.287 -0.182 0.000 0.929 1015 K CB -0.550 31.829 32.500 -0.202 0.000 0.714 1015 K HN 0.449 nan 8.250 nan 0.000 0.440 1016 A N 0.907 123.532 122.820 -0.327 0.000 1.851 1016 A HA -0.234 4.102 4.320 0.027 0.000 0.216 1016 A C 2.141 179.741 177.584 0.027 0.000 1.195 1016 A CA 1.653 53.480 52.037 -0.350 0.000 0.622 1016 A CB -1.003 17.531 19.000 -0.776 0.000 0.831 1016 A HN 0.424 nan 8.150 nan 0.000 0.444 1017 Y N 0.621 120.747 120.300 -0.290 0.000 2.081 1017 Y HA -0.224 4.342 4.550 0.027 0.000 0.280 1017 Y C 2.040 177.857 175.900 -0.139 0.000 1.163 1017 Y CA 1.992 59.912 58.100 -0.301 0.000 1.135 1017 Y CB -0.563 37.476 38.460 -0.703 0.000 0.970 1017 Y HN 0.221 nan 8.280 nan 0.000 0.498 1018 L N -0.485 120.563 121.223 -0.293 0.000 2.046 1018 L HA -0.203 4.153 4.340 0.027 0.000 0.208 1018 L C 2.772 179.397 176.870 -0.408 0.000 1.077 1018 L CA 1.124 55.761 54.840 -0.338 0.000 0.747 1018 L CB -1.042 40.899 42.059 -0.197 0.000 0.896 1018 L HN 0.313 nan 8.230 nan 0.000 0.432 1019 A N 0.066 122.708 122.820 -0.297 0.000 1.978 1019 A HA -0.174 4.162 4.320 0.027 0.000 0.220 1019 A C 2.236 179.777 177.584 -0.072 0.000 1.170 1019 A CA 1.506 53.404 52.037 -0.231 0.000 0.636 1019 A CB -0.623 18.420 19.000 0.072 0.000 0.810 1019 A HN 0.404 nan 8.150 nan 0.000 0.448 1020 L N -1.581 119.609 121.223 -0.054 0.000 2.240 1020 L HA -0.062 4.294 4.340 0.027 0.000 0.211 1020 L C 2.666 179.496 176.870 -0.066 0.000 1.106 1020 L CA 0.760 55.548 54.840 -0.086 0.000 0.793 1020 L CB -0.378 41.615 42.059 -0.111 0.000 0.927 1020 L HN 0.349 nan 8.230 nan 0.000 0.446 1021 R N -0.869 119.536 120.500 -0.158 0.000 2.189 1021 R HA -0.088 4.268 4.340 0.027 0.000 0.223 1021 R C 1.702 178.023 176.300 0.035 0.000 1.092 1021 R CA 0.720 56.746 56.100 -0.124 0.000 0.989 1021 R CB -0.295 29.864 30.300 -0.235 0.000 0.876 1021 R HN 0.530 nan 8.270 nan 0.000 0.457 1022 H N -0.984 118.012 119.070 -0.123 0.000 2.563 1022 H HA 0.014 4.586 4.556 0.028 0.000 0.272 1022 H C 0.349 175.409 175.328 -0.446 0.000 1.005 1022 H CA 0.340 56.256 56.048 -0.221 0.000 1.171 1022 H CB 0.304 29.955 29.762 -0.185 0.000 1.351 1022 H HN 0.301 nan 8.280 nan 0.000 0.602 1023 H N -0.847 118.222 119.070 -0.002 0.000 2.750 1023 H HA 0.090 4.662 4.556 0.028 0.000 0.239 1023 H C 1.069 176.356 175.328 -0.067 0.000 1.210 1023 H CA -0.065 55.954 56.048 -0.050 0.000 0.936 1023 H CB 0.716 30.429 29.762 -0.082 0.000 2.074 1023 H HN 0.207 nan 8.280 nan 0.000 0.622 1024 T N 1.323 115.873 114.554 -0.007 0.000 2.570 1024 T HA -0.204 4.162 4.350 0.027 0.000 0.266 1024 T C 1.933 176.621 174.700 -0.021 0.000 1.071 1024 T CA 1.790 63.868 62.100 -0.037 0.000 1.172 1024 T CB 0.051 68.882 68.868 -0.062 0.000 0.864 1024 T HN 0.421 nan 8.240 nan 0.000 0.421 1025 N N 1.286 119.975 118.700 -0.018 0.000 2.061 1025 N HA -0.069 4.687 4.740 0.027 0.000 0.193 1025 N C 1.833 177.352 175.510 0.015 0.000 1.030 1025 N CA 0.797 53.845 53.050 -0.002 0.000 0.856 1025 N CB -0.848 37.635 38.487 -0.006 0.000 1.023 1025 N HN 0.275 nan 8.380 nan 0.000 0.424 1026 L N 0.726 121.964 121.223 0.025 0.000 1.989 1026 L HA -0.142 4.214 4.340 0.027 0.000 0.211 1026 L C 2.028 178.921 176.870 0.038 0.000 1.071 1026 L CA 1.372 56.233 54.840 0.035 0.000 0.749 1026 L CB -0.417 41.684 42.059 0.070 0.000 0.890 1026 L HN 0.170 nan 8.230 nan 0.000 0.431 1027 L N -0.440 120.796 121.223 0.022 0.000 2.046 1027 L HA -0.283 4.073 4.340 0.027 0.000 0.208 1027 L C 2.549 179.452 176.870 0.055 0.000 1.077 1027 L CA 1.280 56.128 54.840 0.013 0.000 0.747 1027 L CB -0.425 41.610 42.059 -0.040 0.000 0.896 1027 L HN 0.288 nan 8.230 nan 0.000 0.432 1028 I N -0.435 120.153 120.570 0.030 0.000 2.163 1028 I HA -0.330 3.856 4.170 0.027 0.000 0.243 1028 I C 2.537 178.726 176.117 0.120 0.000 1.085 1028 I CA 1.364 62.697 61.300 0.055 0.000 1.347 1028 I CB -0.185 37.822 38.000 0.011 0.000 1.044 1028 I HN 0.205 nan 8.210 nan 0.000 0.408 1029 I N 0.725 121.345 120.570 0.082 0.000 2.226 1029 I HA -0.269 3.917 4.170 0.027 0.000 0.245 1029 I C 2.254 178.427 176.117 0.093 0.000 1.100 1029 I CA 1.708 63.055 61.300 0.078 0.000 1.374 1029 I CB -0.208 37.823 38.000 0.052 0.000 1.057 1029 I HN 0.084 nan 8.210 nan 0.000 0.413 1030 L N -1.096 120.186 121.223 0.098 0.000 2.017 1030 L HA -0.221 4.135 4.340 0.027 0.000 0.208 1030 L C 2.511 179.437 176.870 0.093 0.000 1.073 1030 L CA 1.657 56.552 54.840 0.090 0.000 0.745 1030 L CB -0.902 41.205 42.059 0.081 0.000 0.894 1030 L HN 0.267 nan 8.230 nan 0.000 0.432 1031 F N 0.290 120.234 119.950 -0.011 0.000 2.095 1031 F HA -0.282 4.261 4.527 0.027 0.000 0.298 1031 F C 2.868 178.666 175.800 -0.002 0.000 1.104 1031 F CA 1.894 59.886 58.000 -0.013 0.000 1.232 1031 F CB -0.272 38.725 39.000 -0.004 0.000 0.987 1031 F HN -0.060 nan 8.300 nan 0.000 0.475 1032 S N 0.184 115.990 115.700 0.176 0.000 2.359 1032 S HA -0.245 4.241 4.470 0.027 0.000 0.224 1032 S C 2.136 176.734 174.600 -0.003 0.000 1.035 1032 S CA 1.785 60.032 58.200 0.078 0.000 1.018 1032 S CB -0.345 62.917 63.200 0.103 0.000 0.876 1032 S HN 0.471 nan 8.310 nan 0.000 0.448 1033 M N 0.420 120.045 119.600 0.040 0.000 2.117 1033 M HA -0.120 4.376 4.480 0.027 0.000 0.262 1033 M C 2.374 178.699 176.300 0.041 0.000 1.065 1033 M CA 1.675 57.042 55.300 0.110 0.000 1.114 1033 M CB -0.395 32.298 32.600 0.156 0.000 1.361 1033 M HN 0.484 nan 8.290 nan 0.000 0.408 1034 M N 0.663 120.226 119.600 -0.062 0.000 2.080 1034 M HA -0.247 4.249 4.480 0.027 0.000 0.260 1034 M C 1.859 178.052 176.300 -0.177 0.000 1.068 1034 M CA 1.839 57.056 55.300 -0.138 0.000 1.109 1034 M CB -0.188 32.297 32.600 -0.192 0.000 1.342 1034 M HN 0.259 nan 8.290 nan 0.000 0.405 1035 L N -0.302 120.766 121.223 -0.257 0.000 2.141 1035 L HA -0.192 4.164 4.340 0.027 0.000 0.209 1035 L C 2.497 179.297 176.870 -0.117 0.000 1.094 1035 L CA 1.088 55.783 54.840 -0.241 0.000 0.763 1035 L CB -0.597 41.264 42.059 -0.331 0.000 0.908 1035 L HN 0.459 nan 8.230 nan 0.000 0.437 1036 M N -0.806 118.770 119.600 -0.041 0.000 2.349 1036 M HA -0.078 4.418 4.480 0.027 0.000 0.266 1036 M C 2.054 178.369 176.300 0.025 0.000 1.076 1036 M CA 1.846 57.174 55.300 0.047 0.000 1.126 1036 M CB -0.318 32.392 32.600 0.184 0.000 1.392 1036 M HN 0.381 nan 8.290 nan 0.000 0.440 1037 T N -4.495 110.040 114.554 -0.031 0.000 2.971 1037 T HA 0.282 4.648 4.350 0.027 0.000 0.252 1037 T C 1.437 176.066 174.700 -0.118 0.000 1.022 1037 T CA 0.557 62.585 62.100 -0.120 0.000 0.980 1037 T CB 0.408 69.158 68.868 -0.197 0.000 1.044 1037 T HN 0.369 nan 8.240 nan 0.000 0.501 1038 G N 1.116 109.852 108.800 -0.105 0.000 2.649 1038 G HA2 0.286 4.262 3.960 0.027 0.000 0.199 1038 G HA3 0.286 4.262 3.960 0.027 0.000 0.199 1038 G C 0.630 175.481 174.900 -0.082 0.000 1.085 1038 G CA -0.392 44.648 45.100 -0.101 0.000 0.804 1038 G HN 0.381 nan 8.290 nan 0.000 0.671 1039 M N 3.360 122.905 119.600 -0.092 0.000 2.901 1039 M HA 0.317 4.813 4.480 0.027 0.000 0.294 1039 M C -2.902 173.363 176.300 -0.057 0.000 1.255 1039 M CA -2.105 53.148 55.300 -0.077 0.000 1.274 1039 M CB 0.385 32.917 32.600 -0.113 0.000 1.173 1039 M HN -0.055 nan 8.290 nan 0.000 0.525 1040 P HA 0.084 nan 4.420 nan 0.000 0.272 1040 P C 0.550 177.853 177.300 0.005 0.000 1.223 1040 P CA 0.338 63.428 63.100 -0.016 0.000 0.784 1040 P CB 1.240 32.929 31.700 -0.017 0.000 0.923 1041 Q N -0.410 119.411 119.800 0.035 0.000 2.414 1041 Q HA -0.205 4.151 4.340 0.027 0.000 0.150 1041 Q C 0.201 176.216 176.000 0.024 0.000 1.083 1041 Q CA 1.328 57.167 55.803 0.060 0.000 1.241 1041 Q CB -1.270 27.499 28.738 0.052 0.000 1.177 1041 Q HN 0.525 nan 8.270 nan 0.000 0.985 1042 L N 1.663 122.875 121.223 -0.019 0.000 2.998 1042 L HA 0.099 4.455 4.340 0.027 0.000 0.234 1042 L C 0.985 177.788 176.870 -0.112 0.000 1.350 1042 L CA 0.323 55.130 54.840 -0.055 0.000 1.202 1042 L CB 0.099 42.130 42.059 -0.047 0.000 1.583 1042 L HN 0.150 nan 8.230 nan 0.000 0.456 1043 T N -1.800 112.654 114.554 -0.166 0.000 3.111 1043 T HA -0.032 4.334 4.350 0.027 0.000 0.236 1043 T C 1.527 175.965 174.700 -0.438 0.000 0.984 1043 T CA 0.998 62.934 62.100 -0.273 0.000 1.195 1043 T CB 0.355 69.081 68.868 -0.238 0.000 0.929 1043 T HN 0.702 nan 8.240 nan 0.000 0.431 1044 S N 1.843 117.089 115.700 -0.757 0.000 4.150 1044 S HA -0.450 4.036 4.470 0.027 0.000 0.537 1044 S C 1.222 175.398 174.600 -0.708 0.000 1.375 1044 S CA 3.000 60.720 58.200 -0.800 0.000 3.753 1044 S CB -0.926 62.107 63.200 -0.278 0.000 1.831 1044 S HN 0.575 nan 8.310 nan 0.000 0.455 1045 K N -0.733 119.476 120.400 -0.318 0.000 1.326 1045 K HA 0.086 4.422 4.320 0.027 0.000 0.093 1045 K C 0.955 177.525 176.600 -0.049 0.000 2.487 1045 K CA 1.166 57.360 56.287 -0.154 0.000 1.057 1045 K CB -1.277 31.165 32.500 -0.097 0.000 2.770 1045 K HN 0.343 nan 8.250 nan 0.000 0.335 1046 E N 1.814 121.992 120.200 -0.036 0.000 2.333 1046 E HA -0.062 4.304 4.350 0.027 0.000 0.198 1046 E C 0.867 177.503 176.600 0.061 0.000 1.007 1046 E CA 1.512 57.922 56.400 0.017 0.000 0.845 1046 E CB -0.069 29.640 29.700 0.014 0.000 0.766 1046 E HN 0.387 nan 8.360 nan 0.000 0.507 1047 D N -0.084 120.338 120.400 0.037 0.000 2.120 1047 D HA -0.064 4.592 4.640 0.027 0.000 0.202 1047 D C 1.931 178.388 176.300 0.263 0.000 0.972 1047 D CA 0.628 54.685 54.000 0.094 0.000 0.837 1047 D CB -0.012 40.781 40.800 -0.013 0.000 0.989 1047 D HN 0.148 nan 8.370 nan 0.000 0.469 1048 I N 1.754 122.446 120.570 0.203 0.000 2.127 1048 I HA -0.204 3.982 4.170 0.027 0.000 0.241 1048 I C 2.147 178.434 176.117 0.284 0.000 1.075 1048 I CA 1.146 62.656 61.300 0.349 0.000 1.334 1048 I CB -1.076 37.012 38.000 0.146 0.000 1.040 1048 I HN 0.009 nan 8.210 nan 0.000 0.405 1049 E N 0.495 120.773 120.200 0.131 0.000 2.187 1049 E HA -0.285 4.081 4.350 0.027 0.000 0.199 1049 E C 2.004 178.601 176.600 -0.005 0.000 1.004 1049 E CA 1.330 57.757 56.400 0.045 0.000 0.813 1049 E CB -0.806 28.913 29.700 0.031 0.000 0.736 1049 E HN 0.625 nan 8.360 nan 0.000 0.468 1050 Y N 1.281 121.560 120.300 -0.036 0.000 2.062 1050 Y HA -0.279 4.288 4.550 0.028 0.000 0.276 1050 Y C 2.330 178.084 175.900 -0.244 0.000 1.189 1050 Y CA 1.999 60.042 58.100 -0.095 0.000 1.130 1050 Y CB -0.512 37.927 38.460 -0.036 0.000 0.959 1050 Y HN 0.020 nan 8.280 nan 0.000 0.499 1051 I N -0.025 120.281 120.570 -0.440 0.000 2.423 1051 I HA -0.361 3.825 4.170 0.027 0.000 0.254 1051 I C 2.453 178.333 176.117 -0.395 0.000 1.151 1051 I CA 1.358 62.299 61.300 -0.600 0.000 1.421 1051 I CB -0.253 37.139 38.000 -1.013 0.000 1.079 1051 I HN 0.333 nan 8.210 nan 0.000 0.431 1052 R N 0.569 120.898 120.500 -0.284 0.000 2.070 1052 R HA -0.175 4.182 4.340 0.027 0.000 0.233 1052 R C 1.940 178.108 176.300 -0.220 0.000 1.137 1052 R CA 2.032 58.015 56.100 -0.195 0.000 0.945 1052 R CB -0.289 29.935 30.300 -0.127 0.000 0.845 1052 R HN 0.434 nan 8.270 nan 0.000 0.430 1053 D N 0.355 120.590 120.400 -0.274 0.000 2.117 1053 D HA -0.144 4.512 4.640 0.027 0.000 0.197 1053 D C 1.797 177.939 176.300 -0.263 0.000 0.987 1053 D CA 1.440 55.283 54.000 -0.261 0.000 0.829 1053 D CB -0.281 40.375 40.800 -0.240 0.000 0.961 1053 D HN 0.275 nan 8.370 nan 0.000 0.460 1054 A N 1.246 123.794 122.820 -0.453 0.000 1.883 1054 A HA -0.113 4.223 4.320 0.027 0.000 0.217 1054 A C 2.302 179.869 177.584 -0.029 0.000 1.186 1054 A CA 0.902 52.684 52.037 -0.427 0.000 0.624 1054 A CB -0.846 17.698 19.000 -0.760 0.000 0.822 1054 A HN 0.201 nan 8.150 nan 0.000 0.444 1055 L N -0.454 120.712 121.223 -0.096 0.000 2.610 1055 L HA -0.017 4.339 4.340 0.027 0.000 0.232 1055 L C 1.100 177.952 176.870 -0.030 0.000 1.149 1055 L CA 0.637 55.462 54.840 -0.024 0.000 0.872 1055 L CB -0.609 41.380 42.059 -0.115 0.000 0.992 1055 L HN 0.477 nan 8.230 nan 0.000 0.447 1056 T N 0.263 114.773 114.554 -0.074 0.000 3.433 1056 T HA -0.191 4.175 4.350 0.027 0.000 0.412 1056 T C 0.078 174.708 174.700 -0.117 0.000 0.768 1056 T CA 0.165 62.167 62.100 -0.165 0.000 2.077 1056 T CB -0.965 67.743 68.868 -0.266 0.000 1.700 1056 T HN 0.134 nan 8.240 nan 0.000 0.666 1057 V N 2.884 122.729 119.914 -0.114 0.000 2.673 1057 V HA 0.477 4.613 4.120 0.027 0.000 0.303 1057 V C 1.749 177.797 176.094 -0.076 0.000 1.046 1057 V CA 1.916 64.162 62.300 -0.090 0.000 1.126 1057 V CB 0.621 32.393 31.823 -0.084 0.000 0.934 1057 V HN 1.503 nan 8.190 nan 0.000 0.487 1058 G N 5.019 113.781 108.800 -0.063 0.000 2.299 1058 G HA2 -0.204 3.772 3.960 0.027 0.000 0.237 1058 G HA3 -0.204 3.772 3.960 0.027 0.000 0.237 1058 G C 0.300 175.173 174.900 -0.044 0.000 1.027 1058 G CA 0.249 45.319 45.100 -0.051 0.000 0.619 1058 G HN 0.718 nan 8.290 nan 0.000 0.513 1059 K N 1.803 122.174 120.400 -0.048 0.000 2.295 1059 K HA 0.310 4.646 4.320 0.027 0.000 0.270 1059 K C 0.614 177.203 176.600 -0.019 0.000 1.011 1059 K CA 0.138 56.407 56.287 -0.031 0.000 0.953 1059 K CB 0.624 33.103 32.500 -0.035 0.000 0.956 1059 K HN 0.761 nan 8.250 nan 0.000 0.477 1060 N N -0.186 118.512 118.700 -0.003 0.000 2.467 1060 N HA 0.005 4.761 4.740 0.027 0.000 0.262 1060 N C 0.580 176.105 175.510 0.024 0.000 1.234 1060 N CA -0.400 52.652 53.050 0.003 0.000 0.952 1060 N CB 0.702 39.193 38.487 0.007 0.000 1.158 1060 N HN 0.440 nan 8.380 nan 0.000 0.463 1061 E N -0.358 119.858 120.200 0.028 0.000 2.147 1061 E HA -0.250 4.116 4.350 0.027 0.000 0.199 1061 E C 0.972 177.615 176.600 0.072 0.000 1.005 1061 E CA 1.281 57.710 56.400 0.049 0.000 0.810 1061 E CB -0.027 29.705 29.700 0.053 0.000 0.736 1061 E HN 0.609 nan 8.360 nan 0.000 0.460 1062 E N 0.725 120.961 120.200 0.061 0.000 2.106 1062 E HA -0.143 4.223 4.350 0.027 0.000 0.192 1062 E C 1.716 178.370 176.600 0.091 0.000 0.984 1062 E CA 0.731 57.173 56.400 0.070 0.000 0.806 1062 E CB -0.179 29.550 29.700 0.050 0.000 0.750 1062 E HN 0.257 nan 8.360 nan 0.000 0.458 1063 D N 0.547 120.997 120.400 0.083 0.000 2.117 1063 D HA -0.059 4.597 4.640 0.027 0.000 0.198 1063 D C 1.802 178.200 176.300 0.162 0.000 0.982 1063 D CA 1.239 55.297 54.000 0.097 0.000 0.828 1063 D CB 0.033 40.866 40.800 0.055 0.000 0.967 1063 D HN 0.102 nan 8.370 nan 0.000 0.464 1064 A N 1.389 124.313 122.820 0.173 0.000 1.835 1064 A HA -0.209 4.127 4.320 0.027 0.000 0.215 1064 A C 2.103 179.943 177.584 0.427 0.000 1.199 1064 A CA 1.946 54.167 52.037 0.305 0.000 0.615 1064 A CB -0.622 18.500 19.000 0.202 0.000 0.838 1064 A HN 0.162 nan 8.150 nan 0.000 0.444 1065 K N -0.039 120.541 120.400 0.300 0.000 2.089 1065 K HA -0.277 4.059 4.320 0.027 0.000 0.210 1065 K C 2.178 178.926 176.600 0.247 0.000 1.048 1065 K CA 2.184 58.633 56.287 0.271 0.000 0.926 1065 K CB -0.224 32.372 32.500 0.159 0.000 0.714 1065 K HN 0.465 nan 8.250 nan 0.000 0.448 1066 K N -0.332 120.191 120.400 0.205 0.000 2.026 1066 K HA -0.232 4.104 4.320 0.027 0.000 0.208 1066 K C 2.191 178.900 176.600 0.181 0.000 1.048 1066 K CA 1.718 58.102 56.287 0.162 0.000 0.929 1066 K CB -0.396 32.186 32.500 0.137 0.000 0.713 1066 K HN 0.281 nan 8.250 nan 0.000 0.439 1067 Y N 0.125 120.501 120.300 0.125 0.000 2.165 1067 Y HA -0.297 4.270 4.550 0.029 0.000 0.286 1067 Y C 1.948 177.880 175.900 0.054 0.000 1.155 1067 Y CA 1.961 60.127 58.100 0.109 0.000 1.164 1067 Y CB -0.306 38.260 38.460 0.177 0.000 0.978 1067 Y HN 0.146 nan 8.280 nan 0.000 0.513 1068 F N 0.194 120.113 119.950 -0.052 0.000 2.113 1068 F HA -0.208 4.335 4.527 0.026 0.000 0.297 1068 F C 1.987 177.662 175.800 -0.209 0.000 1.103 1068 F CA 1.690 59.511 58.000 -0.298 0.000 1.248 1068 F CB -0.661 38.126 39.000 -0.354 0.000 0.999 1068 F HN 0.013 nan 8.300 nan 0.000 0.475 1069 L N -0.163 121.023 121.223 -0.061 0.000 2.079 1069 L HA -0.258 4.099 4.340 0.027 0.000 0.210 1069 L C 2.057 178.837 176.870 -0.150 0.000 1.081 1069 L CA 1.467 56.257 54.840 -0.084 0.000 0.752 1069 L CB -0.792 41.284 42.059 0.028 0.000 0.896 1069 L HN 0.103 nan 8.230 nan 0.000 0.433 1070 D N -0.806 119.495 120.400 -0.166 0.000 2.144 1070 D HA -0.155 4.501 4.640 0.027 0.000 0.200 1070 D C 2.355 178.466 176.300 -0.315 0.000 0.978 1070 D CA 0.758 54.648 54.000 -0.183 0.000 0.833 1070 D CB -0.135 40.585 40.800 -0.134 0.000 0.961 1070 D HN 0.255 nan 8.370 nan 0.000 0.470 1071 Q N 0.367 119.858 119.800 -0.516 0.000 2.124 1071 Q HA -0.062 4.295 4.340 0.027 0.000 0.202 1071 Q C 2.538 178.184 176.000 -0.589 0.000 0.977 1071 Q CA 0.553 55.956 55.803 -0.668 0.000 0.850 1071 Q CB -0.242 27.875 28.738 -1.035 0.000 0.901 1071 Q HN 0.438 nan 8.270 nan 0.000 0.429 1072 I N 0.945 121.215 120.570 -0.501 0.000 2.226 1072 I HA -0.244 3.942 4.170 0.027 0.000 0.245 1072 I C 2.079 178.070 176.117 -0.210 0.000 1.100 1072 I CA 0.926 62.066 61.300 -0.267 0.000 1.374 1072 I CB -0.240 37.725 38.000 -0.059 0.000 1.057 1072 I HN 0.096 nan 8.210 nan 0.000 0.413 1073 E N 0.682 120.780 120.200 -0.170 0.000 2.118 1073 E HA -0.166 4.200 4.350 0.027 0.000 0.195 1073 E C 2.400 178.902 176.600 -0.164 0.000 0.992 1073 E CA 1.101 57.428 56.400 -0.122 0.000 0.804 1073 E CB -0.587 29.062 29.700 -0.086 0.000 0.741 1073 E HN 0.346 nan 8.360 nan 0.000 0.458 1074 V N 0.908 120.689 119.914 -0.221 0.000 2.546 1074 V HA -0.331 3.805 4.120 0.027 0.000 0.254 1074 V C 2.452 178.410 176.094 -0.226 0.000 1.076 1074 V CA 1.706 63.881 62.300 -0.209 0.000 1.087 1074 V CB -0.856 30.830 31.823 -0.229 0.000 0.674 1074 V HN 0.286 nan 8.190 nan 0.000 0.470 1075 C N -0.309 118.813 119.300 -0.298 0.000 2.541 1075 C HA -0.053 4.424 4.460 0.027 0.000 0.282 1075 C C 2.841 177.692 174.990 -0.231 0.000 1.263 1075 C CA 0.287 59.125 59.018 -0.300 0.000 1.709 1075 C CB -1.087 26.432 27.740 -0.368 0.000 2.097 1075 C HN 0.457 nan 8.230 nan 0.000 0.480 1076 R N 1.476 121.864 120.500 -0.186 0.000 2.133 1076 R HA -0.162 4.194 4.340 0.027 0.000 0.247 1076 R C 1.396 177.611 176.300 -0.142 0.000 1.151 1076 R CA 1.799 57.801 56.100 -0.163 0.000 0.971 1076 R CB -0.950 29.278 30.300 -0.119 0.000 0.866 1076 R HN 0.615 nan 8.270 nan 0.000 0.447 1077 D N 0.050 120.375 120.400 -0.125 0.000 2.162 1077 D HA -0.059 4.597 4.640 0.027 0.000 0.203 1077 D C 1.698 177.946 176.300 -0.088 0.000 0.967 1077 D CA 0.961 54.905 54.000 -0.094 0.000 0.840 1077 D CB -0.017 40.735 40.800 -0.080 0.000 0.972 1077 D HN 0.009 nan 8.370 nan 0.000 0.482 1078 K N -0.169 120.165 120.400 -0.110 0.000 2.243 1078 K HA 0.176 4.512 4.320 0.027 0.000 0.201 1078 K C 1.518 178.065 176.600 -0.088 0.000 1.051 1078 K CA 0.740 56.978 56.287 -0.080 0.000 0.970 1078 K CB -0.198 32.255 32.500 -0.078 0.000 0.755 1078 K HN 0.141 nan 8.250 nan 0.000 0.465 1079 G N 0.301 108.988 108.800 -0.188 0.000 3.773 1079 G HA2 -0.358 3.618 3.960 0.027 0.000 0.355 1079 G HA3 -0.358 3.618 3.960 0.027 0.000 0.355 1079 G C 1.025 175.672 174.900 -0.423 0.000 1.323 1079 G CA 0.997 45.903 45.100 -0.322 0.000 1.103 1079 G HN 0.496 nan 8.290 nan 0.000 0.716 1080 W N 1.090 122.383 121.300 -0.013 0.000 2.714 1080 W HA 0.337 5.013 4.660 0.027 0.000 0.353 1080 W C 2.518 179.128 176.519 0.152 0.000 0.999 1080 W CA 0.484 57.864 57.345 0.058 0.000 1.629 1080 W CB 0.282 29.809 29.460 0.111 0.000 1.106 1080 W HN 0.437 nan 8.180 nan 0.000 0.545 1081 T N 0.880 115.608 114.554 0.291 0.000 2.597 1081 T HA -0.303 4.063 4.350 0.027 0.000 0.267 1081 T C 1.793 176.663 174.700 0.284 0.000 1.053 1081 T CA 2.186 64.444 62.100 0.263 0.000 1.165 1081 T CB -1.082 67.867 68.868 0.135 0.000 0.863 1081 T HN -0.033 nan 8.240 nan 0.000 0.427 1082 V N 1.729 121.764 119.914 0.201 0.000 2.231 1082 V HA -0.240 3.897 4.120 0.027 0.000 0.248 1082 V C 2.844 179.154 176.094 0.361 0.000 1.054 1082 V CA 1.737 64.157 62.300 0.200 0.000 1.015 1082 V CB -0.974 30.961 31.823 0.186 0.000 0.638 1082 V HN 0.332 nan 8.190 nan 0.000 0.444 1083 Q N -0.655 119.384 119.800 0.398 0.000 2.030 1083 Q HA -0.189 4.167 4.340 0.027 0.000 0.204 1083 Q C 2.148 178.511 176.000 0.606 0.000 0.986 1083 Q CA 2.064 58.120 55.803 0.423 0.000 0.843 1083 Q CB -0.705 28.165 28.738 0.221 0.000 0.904 1083 Q HN 0.687 nan 8.270 nan 0.000 0.420 1084 F N 1.914 122.187 119.950 0.539 0.000 2.171 1084 F HA -0.198 4.345 4.527 0.027 0.000 0.300 1084 F C 1.657 177.655 175.800 0.329 0.000 1.090 1084 F CA 1.364 59.636 58.000 0.453 0.000 1.293 1084 F CB -0.233 38.919 39.000 0.254 0.000 1.013 1084 F HN 0.108 nan 8.300 nan 0.000 0.486 1085 N N -0.817 117.971 118.700 0.146 0.000 2.106 1085 N HA -0.178 4.578 4.740 0.027 0.000 0.188 1085 N C 1.568 177.023 175.510 -0.092 0.000 1.029 1085 N CA 1.858 54.867 53.050 -0.069 0.000 0.848 1085 N CB -0.621 37.802 38.487 -0.107 0.000 1.007 1085 N HN 0.384 nan 8.380 nan 0.000 0.423 1086 W N 0.019 121.347 121.300 0.047 0.000 2.363 1086 W HA -0.052 4.624 4.660 0.026 0.000 0.296 1086 W C 1.949 178.488 176.519 0.034 0.000 1.212 1086 W CA 0.432 57.773 57.345 -0.007 0.000 1.260 1086 W CB -0.537 28.916 29.460 -0.011 0.000 1.131 1086 W HN 0.024 nan 8.180 nan 0.000 0.530 1087 F N 0.507 120.576 119.950 0.198 0.000 2.075 1087 F HA -0.239 4.304 4.527 0.027 0.000 0.297 1087 F C 2.140 177.890 175.800 -0.083 0.000 1.113 1087 F CA 1.818 59.869 58.000 0.084 0.000 1.218 1087 F CB -0.648 38.425 39.000 0.121 0.000 0.984 1087 F HN -0.289 nan 8.300 nan 0.000 0.472 1088 L N -0.677 120.541 121.223 -0.008 0.000 2.189 1088 L HA -0.268 4.088 4.340 0.027 0.000 0.214 1088 L C 2.220 179.033 176.870 -0.095 0.000 1.097 1088 L CA 1.796 56.553 54.840 -0.138 0.000 0.764 1088 L CB -0.849 41.034 42.059 -0.294 0.000 0.900 1088 L HN 0.365 nan 8.230 nan 0.000 0.436 1089 H N -0.887 118.095 119.070 -0.147 0.000 2.283 1089 H HA -0.018 4.555 4.556 0.027 0.000 0.320 1089 H C 1.808 177.078 175.328 -0.096 0.000 1.074 1089 H CA 0.471 56.441 56.048 -0.130 0.000 1.476 1089 H CB 0.101 29.752 29.762 -0.186 0.000 1.465 1089 H HN -0.039 nan 8.280 nan 0.000 0.573 1090 L N 0.627 121.976 121.223 0.209 0.000 2.642 1090 L HA -0.043 4.313 4.340 0.027 0.000 0.236 1090 L C 0.818 177.641 176.870 -0.078 0.000 1.169 1090 L CA 0.949 55.858 54.840 0.114 0.000 0.851 1090 L CB 0.021 42.163 42.059 0.138 0.000 0.968 1090 L HN 0.370 nan 8.230 nan 0.000 0.453 1091 V N -2.267 117.518 119.914 -0.214 0.000 3.380 1091 V HA 0.132 4.268 4.120 0.027 0.000 0.277 1091 V C 0.881 176.818 176.094 -0.261 0.000 1.590 1091 V CA 0.194 62.308 62.300 -0.310 0.000 1.019 1091 V CB 0.660 32.117 31.823 -0.610 0.000 0.828 1091 V HN 0.193 nan 8.190 nan 0.000 0.427 1092 L N 0.069 121.158 121.223 -0.222 0.000 3.410 1092 L HA 0.701 5.057 4.340 0.027 0.000 0.309 1092 L C 1.011 177.790 176.870 -0.152 0.000 1.254 1092 L CA 0.287 55.032 54.840 -0.158 0.000 1.048 1092 L CB 0.630 42.611 42.059 -0.129 0.000 1.442 1092 L HN 0.296 nan 8.230 nan 0.000 0.615 1093 G N 0.000 108.683 108.800 -0.195 0.000 5.446 1093 G HA2 0.000 3.976 3.960 0.027 0.000 0.244 1093 G HA3 0.000 3.976 3.960 0.027 0.000 0.244 1093 G CA 0.000 44.938 45.100 -0.271 0.000 0.502 1093 G HN 0.000 nan 8.290 nan 0.000 0.925