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 2z83_1_A DATA FIRST_RESID 181 DATA SEQUENCE PNMLRKRQMT VLDLHPGSGK TRKILPQIIK DAIQQRLRTA VLAPTRVVAA DATA SEQUENCE EMAEALRGLP VRYQTXXXXX XXXGNEIVDV MCHATLTHRL MSPNXVPNYN DATA SEQUENCE LFVMDEAHFT DPASIAARGY IATKVELGEA AAIFMTATPP GTTDPFPDSN DATA SEQUENCE APIHDLQDEI PDRAWSSGYE WITEYAGKTV WFVASVKMGN EIAMCLQRAG DATA SEQUENCE KKVIQLNRKS YDTEYPKCKN GDWDFVITTD ISXXXANFGA SRVIDCRKSV DATA SEQUENCE KPTILEEGEG RVILGNPSPI TSASAAQRRG RVGRNPNQVG DEYHYGGATS DATA SEQUENCE EDDSNLAHWT EAKIMLDNIH MPNGLVAQLY GPEREKAFTM DGEYRLRGEE DATA SEQUENCE KKNFLELLRT ADLPVWLAYK VASNGIQYTD RKWCFDGPRT NAILEDNIEV DATA SEQUENCE EIVTRMGERK ILKPRWLDAR VYADHQALKW FKDFAAGK 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 181 P HA 0.000 nan 4.420 nan 0.000 0.216 181 P C 0.000 177.296 177.300 -0.006 0.000 1.155 181 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 181 P CB 0.000 31.698 31.700 -0.004 0.000 0.726 182 N N 0.187 118.884 118.700 -0.006 0.000 2.223 182 N HA -0.018 4.735 4.740 0.021 0.000 0.185 182 N C 1.538 177.043 175.510 -0.009 0.000 1.016 182 N CA 1.156 54.202 53.050 -0.007 0.000 0.863 182 N CB -0.292 38.191 38.487 -0.007 0.000 0.983 182 N HN 0.387 nan 8.380 nan 0.000 0.429 183 M N 0.124 119.719 119.600 -0.009 0.000 2.530 183 M HA -0.053 4.439 4.480 0.021 0.000 0.261 183 M C 1.292 177.584 176.300 -0.014 0.000 1.067 183 M CA 0.859 56.151 55.300 -0.013 0.000 1.071 183 M CB -0.157 32.435 32.600 -0.012 0.000 1.405 183 M HN 0.093 nan 8.290 nan 0.000 0.478 184 L N -0.622 120.595 121.223 -0.011 0.000 2.418 184 L HA 0.027 4.379 4.340 0.021 0.000 0.218 184 L C 0.918 177.782 176.870 -0.010 0.000 1.125 184 L CA 0.169 55.002 54.840 -0.011 0.000 0.835 184 L CB -0.457 41.595 42.059 -0.011 0.000 0.953 184 L HN 0.251 nan 8.230 nan 0.000 0.454 185 R N 1.452 121.945 120.500 -0.010 0.000 2.590 185 R HA 0.117 4.469 4.340 0.021 0.000 0.274 185 R C 0.230 176.525 176.300 -0.008 0.000 1.061 185 R CA -0.248 55.846 56.100 -0.009 0.000 1.081 185 R CB 0.527 30.822 30.300 -0.009 0.000 0.984 185 R HN 0.074 nan 8.270 nan 0.000 0.448 186 K N 1.693 122.090 120.400 -0.005 0.000 2.542 186 K HA -0.162 4.170 4.320 0.021 0.000 0.276 186 K C 0.667 177.262 176.600 -0.008 0.000 0.963 186 K CA 0.736 57.022 56.287 -0.001 0.000 0.975 186 K CB 0.212 32.712 32.500 0.001 0.000 0.901 186 K HN 0.571 nan 8.250 nan 0.000 0.506 187 R N 0.015 120.509 120.500 -0.009 0.000 3.892 187 R HA -0.206 4.147 4.340 0.021 0.000 0.441 187 R C -0.804 175.479 176.300 -0.028 0.000 1.052 187 R CA 0.980 57.069 56.100 -0.018 0.000 1.190 187 R CB -0.870 29.422 30.300 -0.015 0.000 1.808 187 R HN 0.676 nan 8.270 nan 0.000 0.538 188 Q N 0.542 120.324 119.800 -0.031 0.000 2.271 188 Q HA 0.412 4.764 4.340 0.021 0.000 0.258 188 Q C -0.617 175.336 176.000 -0.078 0.000 0.936 188 Q CA -0.529 55.248 55.803 -0.044 0.000 0.909 188 Q CB 1.857 30.574 28.738 -0.034 0.000 1.253 188 Q HN 0.076 nan 8.270 nan 0.000 0.440 189 M N 2.003 121.541 119.600 -0.104 0.000 2.114 189 M HA 0.332 4.825 4.480 0.021 0.000 0.332 189 M C -1.357 174.846 176.300 -0.161 0.000 1.014 189 M CA 0.160 55.340 55.300 -0.199 0.000 0.956 189 M CB 1.598 34.066 32.600 -0.219 0.000 1.551 189 M HN 0.357 nan 8.290 nan 0.000 0.427 190 T N 4.746 119.197 114.554 -0.172 0.000 2.792 190 T HA 0.635 4.997 4.350 0.021 0.000 0.280 190 T C -0.934 173.721 174.700 -0.075 0.000 0.990 190 T CA -0.589 61.459 62.100 -0.087 0.000 0.960 190 T CB 1.196 70.036 68.868 -0.047 0.000 0.939 190 T HN 0.484 nan 8.240 nan 0.000 0.439 191 V N 5.170 125.079 119.914 -0.008 0.000 2.350 191 V HA 0.346 4.478 4.120 0.021 0.000 0.276 191 V C 0.087 176.217 176.094 0.061 0.000 1.028 191 V CA -0.748 61.592 62.300 0.067 0.000 0.860 191 V CB 0.970 32.867 31.823 0.124 0.000 0.990 191 V HN 0.757 nan 8.190 nan 0.000 0.453 192 L N 4.389 125.655 121.223 0.071 0.000 2.328 192 L HA 0.351 4.703 4.340 0.021 0.000 0.280 192 L C -0.208 176.695 176.870 0.054 0.000 1.111 192 L CA -0.493 54.376 54.840 0.049 0.000 0.909 192 L CB 0.359 42.443 42.059 0.041 0.000 1.277 192 L HN 0.593 nan 8.230 nan 0.000 0.433 193 D N 3.665 124.093 120.400 0.047 0.000 2.441 193 D HA 0.179 4.831 4.640 0.021 0.000 0.243 193 D C -0.342 175.970 176.300 0.019 0.000 1.257 193 D CA 0.191 54.216 54.000 0.042 0.000 1.027 193 D CB 0.376 41.201 40.800 0.041 0.000 1.084 193 D HN 0.067 nan 8.370 nan 0.000 0.514 194 L N 3.653 124.878 121.223 0.003 0.000 2.276 194 L HA 0.157 4.509 4.340 0.021 0.000 0.286 194 L C 0.605 177.446 176.870 -0.049 0.000 1.024 194 L CA -0.904 53.903 54.840 -0.056 0.000 0.826 194 L CB 0.490 42.513 42.059 -0.060 0.000 1.211 194 L HN 0.461 nan 8.230 nan 0.000 0.422 195 H N 3.591 122.653 119.070 -0.013 0.000 2.929 195 H HA 0.146 4.708 4.556 0.009 0.000 0.358 195 H C -2.325 172.984 175.328 -0.031 0.000 1.111 195 H CA -1.698 54.332 56.048 -0.030 0.000 1.409 195 H CB 0.052 29.797 29.762 -0.029 0.000 1.373 195 H HN 0.357 nan 8.280 nan 0.000 0.610 196 P HA 0.030 nan 4.420 nan 0.000 0.266 196 P C 0.789 178.197 177.300 0.179 0.000 1.195 196 P CA 1.625 64.789 63.100 0.107 0.000 0.768 196 P CB 0.426 32.145 31.700 0.032 0.000 0.838 197 G N 1.635 110.479 108.800 0.073 0.000 2.132 197 G HA2 -0.251 3.721 3.960 0.021 0.000 0.234 197 G HA3 -0.251 3.721 3.960 0.021 0.000 0.234 197 G C 0.918 175.824 174.900 0.011 0.000 0.989 197 G CA 0.260 45.398 45.100 0.062 0.000 0.676 197 G HN 0.471 nan 8.290 nan 0.000 0.522 198 S N -0.192 115.465 115.700 -0.072 0.000 2.575 198 S HA 0.407 4.890 4.470 0.021 0.000 0.215 198 S C 1.870 176.434 174.600 -0.060 0.000 0.966 198 S CA 1.057 59.179 58.200 -0.131 0.000 0.911 198 S CB 0.175 63.221 63.200 -0.257 0.000 0.780 198 S HN 2.169 nan 8.310 nan 0.000 0.514 199 G N 3.380 112.164 108.800 -0.026 0.000 2.338 199 G HA2 -0.342 3.631 3.960 0.021 0.000 0.296 199 G HA3 -0.342 3.631 3.960 0.021 0.000 0.296 199 G C 0.761 175.657 174.900 -0.007 0.000 1.040 199 G CA 0.844 45.939 45.100 -0.008 0.000 1.004 199 G HN 0.620 nan 8.290 nan 0.000 0.509 200 K N -1.263 119.134 120.400 -0.005 0.000 2.026 200 K HA -0.127 4.206 4.320 0.021 0.000 0.208 200 K C 2.147 178.757 176.600 0.018 0.000 1.048 200 K CA 1.860 58.150 56.287 0.005 0.000 0.929 200 K CB -0.658 31.851 32.500 0.015 0.000 0.713 200 K HN 0.236 nan 8.250 nan 0.000 0.439 201 T N 0.965 115.534 114.554 0.025 0.000 2.788 201 T HA -0.060 4.302 4.350 0.021 0.000 0.268 201 T C 1.946 176.661 174.700 0.024 0.000 1.044 201 T CA 1.307 63.425 62.100 0.029 0.000 1.139 201 T CB -0.087 68.800 68.868 0.032 0.000 0.867 201 T HN 0.308 nan 8.240 nan 0.000 0.454 202 R N 0.668 121.178 120.500 0.018 0.000 2.140 202 R HA 0.080 4.433 4.340 0.021 0.000 0.213 202 R C 2.371 178.679 176.300 0.013 0.000 1.059 202 R CA 0.811 56.920 56.100 0.016 0.000 1.000 202 R CB 0.087 30.395 30.300 0.013 0.000 0.910 202 R HN 0.499 nan 8.270 nan 0.000 0.455 203 K N -0.256 120.149 120.400 0.009 0.000 2.273 203 K HA 0.185 4.517 4.320 0.021 0.000 0.206 203 K C 2.052 178.656 176.600 0.007 0.000 1.072 203 K CA 0.142 56.433 56.287 0.006 0.000 0.953 203 K CB -0.030 32.471 32.500 0.001 0.000 1.043 203 K HN -0.036 nan 8.250 nan 0.000 0.477 204 I N 1.750 122.323 120.570 0.005 0.000 2.286 204 I HA -0.196 3.987 4.170 0.021 0.000 0.245 204 I C 2.517 178.641 176.117 0.012 0.000 1.104 204 I CA 0.688 61.991 61.300 0.006 0.000 1.397 204 I CB -0.214 37.788 38.000 0.003 0.000 1.072 204 I HN 0.066 nan 8.210 nan 0.000 0.417 205 L N 2.235 123.469 121.223 0.018 0.000 1.989 205 L HA -0.123 4.230 4.340 0.021 0.000 0.211 205 L C -0.586 176.295 176.870 0.018 0.000 1.071 205 L CA 2.462 57.315 54.840 0.022 0.000 0.749 205 L CB -1.753 40.324 42.059 0.030 0.000 0.890 205 L HN 0.042 nan 8.230 nan 0.000 0.431 206 P HA -0.228 nan 4.420 nan 0.000 0.216 206 P C 1.448 178.755 177.300 0.012 0.000 1.150 206 P CA 1.489 64.600 63.100 0.018 0.000 0.843 206 P CB -0.022 31.690 31.700 0.020 0.000 0.787 207 Q N -0.183 119.622 119.800 0.009 0.000 2.084 207 Q HA -0.128 4.224 4.340 0.021 0.000 0.202 207 Q C 1.993 177.996 176.000 0.003 0.000 0.978 207 Q CA 1.516 57.323 55.803 0.006 0.000 0.844 207 Q CB -1.114 27.626 28.738 0.004 0.000 0.898 207 Q HN 0.173 nan 8.270 nan 0.000 0.426 208 I N -0.087 120.486 120.570 0.005 0.000 2.163 208 I HA -0.280 3.903 4.170 0.021 0.000 0.243 208 I C 1.682 177.797 176.117 -0.003 0.000 1.085 208 I CA 0.774 62.075 61.300 0.002 0.000 1.347 208 I CB -0.411 37.593 38.000 0.006 0.000 1.044 208 I HN 0.275 nan 8.210 nan 0.000 0.408 209 I N 0.909 121.477 120.570 -0.002 0.000 2.252 209 I HA -0.209 3.974 4.170 0.021 0.000 0.245 209 I C 2.424 178.536 176.117 -0.008 0.000 1.102 209 I CA 1.520 62.814 61.300 -0.009 0.000 1.385 209 I CB -1.165 36.831 38.000 -0.008 0.000 1.064 209 I HN 0.217 nan 8.210 nan 0.000 0.414 210 K N 0.630 121.029 120.400 -0.002 0.000 2.063 210 K HA -0.197 4.136 4.320 0.021 0.000 0.208 210 K C 1.706 178.303 176.600 -0.004 0.000 1.048 210 K CA 1.620 57.907 56.287 -0.001 0.000 0.928 210 K CB -0.141 32.361 32.500 0.003 0.000 0.713 210 K HN 0.271 nan 8.250 nan 0.000 0.442 211 D N 0.583 120.981 120.400 -0.004 0.000 2.117 211 D HA -0.138 4.515 4.640 0.021 0.000 0.197 211 D C 1.844 178.138 176.300 -0.009 0.000 0.987 211 D CA 1.324 55.321 54.000 -0.006 0.000 0.829 211 D CB -0.253 40.544 40.800 -0.005 0.000 0.961 211 D HN 0.217 nan 8.370 nan 0.000 0.460 212 A N 0.902 123.715 122.820 -0.012 0.000 1.858 212 A HA -0.160 4.173 4.320 0.021 0.000 0.216 212 A C 2.396 179.970 177.584 -0.017 0.000 1.190 212 A CA 1.109 53.135 52.037 -0.018 0.000 0.617 212 A CB -0.868 18.116 19.000 -0.025 0.000 0.827 212 A HN 0.191 nan 8.150 nan 0.000 0.443 213 I N -0.420 120.140 120.570 -0.016 0.000 2.208 213 I HA -0.325 3.857 4.170 0.021 0.000 0.245 213 I C 2.750 178.861 176.117 -0.011 0.000 1.097 213 I CA 1.898 63.190 61.300 -0.014 0.000 1.363 213 I CB -0.328 37.666 38.000 -0.012 0.000 1.051 213 I HN 0.483 nan 8.210 nan 0.000 0.413 214 Q N 1.274 121.069 119.800 -0.009 0.000 2.135 214 Q HA -0.242 4.111 4.340 0.021 0.000 0.204 214 Q C 1.915 177.910 176.000 -0.008 0.000 0.981 214 Q CA 1.777 57.576 55.803 -0.007 0.000 0.856 214 Q CB -0.224 28.511 28.738 -0.005 0.000 0.902 214 Q HN 0.535 nan 8.270 nan 0.000 0.425 215 Q N -0.576 119.219 119.800 -0.010 0.000 2.360 215 Q HA 0.171 4.524 4.340 0.021 0.000 0.202 215 Q C -0.475 175.517 176.000 -0.013 0.000 0.915 215 Q CA -0.072 55.725 55.803 -0.011 0.000 0.943 215 Q CB 0.625 29.356 28.738 -0.011 0.000 1.064 215 Q HN 0.223 nan 8.270 nan 0.000 0.511 216 R N -0.157 120.335 120.500 -0.013 0.000 3.531 216 R HA -0.177 4.175 4.340 0.021 0.000 0.280 216 R C -0.906 175.383 176.300 -0.018 0.000 1.130 216 R CA 0.586 56.677 56.100 -0.015 0.000 0.757 216 R CB -2.890 27.401 30.300 -0.014 0.000 1.218 216 R HN 0.298 nan 8.270 nan 0.000 0.454 217 L N 0.951 122.162 121.223 -0.020 0.000 2.290 217 L HA 0.350 4.703 4.340 0.021 0.000 0.284 217 L C 1.089 177.946 176.870 -0.021 0.000 1.078 217 L CA -0.800 54.026 54.840 -0.023 0.000 0.815 217 L CB 0.913 42.956 42.059 -0.027 0.000 1.162 217 L HN -0.115 nan 8.230 nan 0.000 0.435 218 R N 2.073 122.563 120.500 -0.018 0.000 2.316 218 R HA 0.273 4.625 4.340 0.021 0.000 0.314 218 R C -0.882 175.465 176.300 0.078 0.000 1.069 218 R CA 0.220 56.328 56.100 0.013 0.000 0.959 218 R CB 0.450 30.724 30.300 -0.044 0.000 0.987 218 R HN 0.572 nan 8.270 nan 0.000 0.446 219 T N 3.329 117.939 114.554 0.092 0.000 2.848 219 T HA 0.682 5.044 4.350 0.021 0.000 0.285 219 T C -1.056 173.492 174.700 -0.253 0.000 0.995 219 T CA -0.562 61.488 62.100 -0.082 0.000 0.970 219 T CB 1.730 70.546 68.868 -0.087 0.000 0.976 219 T HN 0.643 nan 8.240 nan 0.000 0.441 220 A N 2.881 125.287 122.820 -0.690 0.000 2.288 220 A HA 0.757 5.090 4.320 0.021 0.000 0.320 220 A C -0.462 176.935 177.584 -0.311 0.000 1.217 220 A CA -0.584 50.985 52.037 -0.780 0.000 0.840 220 A CB 0.636 18.888 19.000 -1.246 0.000 1.179 220 A HN 0.677 nan 8.150 nan 0.000 0.504 221 V N 4.078 123.878 119.914 -0.191 0.000 2.417 221 V HA 0.394 4.526 4.120 0.021 0.000 0.291 221 V C -0.354 175.725 176.094 -0.025 0.000 1.024 221 V CA -0.255 62.000 62.300 -0.075 0.000 0.861 221 V CB 1.238 33.023 31.823 -0.064 0.000 0.985 221 V HN 0.756 nan 8.190 nan 0.000 0.436 222 L N 4.667 125.912 121.223 0.037 0.000 2.305 222 L HA 0.818 5.170 4.340 0.021 0.000 0.284 222 L C 0.254 177.247 176.870 0.205 0.000 1.013 222 L CA -0.451 54.457 54.840 0.114 0.000 0.819 222 L CB 1.689 43.782 42.059 0.057 0.000 1.227 222 L HN 0.720 nan 8.230 nan 0.000 0.417 223 A N 5.410 128.297 122.820 0.112 0.000 2.324 223 A HA 0.730 5.062 4.320 0.021 0.000 0.330 223 A C -1.919 175.398 177.584 -0.445 0.000 1.165 223 A CA -1.470 50.532 52.037 -0.057 0.000 0.813 223 A CB 1.014 19.976 19.000 -0.063 0.000 1.197 223 A HN 0.539 nan 8.150 nan 0.000 0.484 224 P HA -0.005 nan 4.420 nan 0.000 0.219 224 P C 0.645 177.490 177.300 -0.759 0.000 1.154 224 P CA 1.583 63.949 63.100 -1.224 0.000 0.826 224 P CB 0.090 31.156 31.700 -1.058 0.000 0.795 225 T N -4.385 109.846 114.554 -0.538 0.000 2.742 225 T HA 0.483 4.845 4.350 0.021 0.000 0.282 225 T C 1.087 175.622 174.700 -0.275 0.000 1.025 225 T CA -0.762 61.080 62.100 -0.431 0.000 1.020 225 T CB 1.601 70.210 68.868 -0.430 0.000 1.317 225 T HN -0.298 nan 8.240 nan 0.000 0.538 226 R N -0.023 120.343 120.500 -0.223 0.000 2.082 226 R HA 0.050 4.402 4.340 0.021 0.000 0.234 226 R C 2.315 178.526 176.300 -0.149 0.000 1.136 226 R CA 1.388 57.381 56.100 -0.179 0.000 0.935 226 R CB -1.472 28.719 30.300 -0.182 0.000 0.842 226 R HN 0.440 nan 8.270 nan 0.000 0.430 227 V N 0.324 120.160 119.914 -0.129 0.000 2.548 227 V HA -0.130 4.002 4.120 0.021 0.000 0.249 227 V C 1.877 177.930 176.094 -0.068 0.000 1.055 227 V CA 1.232 63.478 62.300 -0.090 0.000 1.065 227 V CB -0.016 31.796 31.823 -0.019 0.000 0.681 227 V HN 0.136 nan 8.190 nan 0.000 0.462 228 V N 0.385 120.253 119.914 -0.076 0.000 2.427 228 V HA -0.165 3.968 4.120 0.021 0.000 0.248 228 V C 2.749 178.824 176.094 -0.031 0.000 1.051 228 V CA 1.751 64.022 62.300 -0.049 0.000 1.048 228 V CB -1.202 30.583 31.823 -0.064 0.000 0.666 228 V HN 0.588 nan 8.190 nan 0.000 0.456 229 A N 0.252 123.046 122.820 -0.044 0.000 1.940 229 A HA -0.158 4.174 4.320 0.021 0.000 0.219 229 A C 2.415 179.999 177.584 -0.001 0.000 1.176 229 A CA 2.274 54.314 52.037 0.006 0.000 0.631 229 A CB -0.711 18.291 19.000 0.003 0.000 0.814 229 A HN 0.571 nan 8.150 nan 0.000 0.446 230 A N -0.482 122.306 122.820 -0.053 0.000 1.872 230 A HA -0.107 4.225 4.320 0.021 0.000 0.214 230 A C 1.883 179.428 177.584 -0.065 0.000 1.187 230 A CA 1.634 53.617 52.037 -0.090 0.000 0.614 230 A CB -0.556 18.385 19.000 -0.099 0.000 0.826 230 A HN 0.558 nan 8.150 nan 0.000 0.442 231 E N -0.572 119.606 120.200 -0.036 0.000 2.130 231 E HA -0.221 4.141 4.350 0.021 0.000 0.196 231 E C 2.052 178.656 176.600 0.008 0.000 0.998 231 E CA 1.740 58.132 56.400 -0.013 0.000 0.806 231 E CB -0.274 29.424 29.700 -0.004 0.000 0.738 231 E HN 0.654 nan 8.360 nan 0.000 0.459 232 M N -0.320 119.297 119.600 0.029 0.000 2.117 232 M HA -0.155 4.338 4.480 0.021 0.000 0.262 232 M C 2.457 178.823 176.300 0.110 0.000 1.065 232 M CA 1.386 56.732 55.300 0.077 0.000 1.114 232 M CB -0.212 32.457 32.600 0.115 0.000 1.361 232 M HN 0.170 nan 8.290 nan 0.000 0.408 233 A N 0.165 123.014 122.820 0.048 0.000 1.940 233 A HA -0.169 4.164 4.320 0.021 0.000 0.219 233 A C 2.009 179.559 177.584 -0.057 0.000 1.176 233 A CA 1.607 53.573 52.037 -0.119 0.000 0.631 233 A CB -0.490 18.180 19.000 -0.550 0.000 0.814 233 A HN 0.389 nan 8.150 nan 0.000 0.446 234 E N -0.230 119.943 120.200 -0.046 0.000 2.072 234 E HA -0.018 4.344 4.350 0.021 0.000 0.190 234 E C 2.324 178.931 176.600 0.011 0.000 0.982 234 E CA 1.152 57.538 56.400 -0.023 0.000 0.803 234 E CB -0.699 28.985 29.700 -0.025 0.000 0.755 234 E HN 0.559 nan 8.360 nan 0.000 0.453 235 A N 0.807 123.642 122.820 0.025 0.000 2.019 235 A HA -0.088 4.244 4.320 0.021 0.000 0.219 235 A C 1.972 179.584 177.584 0.047 0.000 1.164 235 A CA 0.909 52.966 52.037 0.033 0.000 0.644 235 A CB -0.370 18.651 19.000 0.035 0.000 0.805 235 A HN 0.190 nan 8.150 nan 0.000 0.449 236 L N -0.391 120.878 121.223 0.076 0.000 2.791 236 L HA 0.183 4.536 4.340 0.021 0.000 0.239 236 L C 0.403 177.331 176.870 0.096 0.000 1.203 236 L CA -0.474 54.422 54.840 0.094 0.000 1.002 236 L CB -0.052 42.090 42.059 0.139 0.000 1.295 236 L HN 0.196 nan 8.230 nan 0.000 0.504 237 R N 0.563 121.102 120.500 0.065 0.000 2.570 237 R HA 0.265 4.618 4.340 0.021 0.000 0.277 237 R C 1.192 177.518 176.300 0.044 0.000 1.039 237 R CA 0.946 57.077 56.100 0.052 0.000 1.065 237 R CB 0.467 30.783 30.300 0.026 0.000 0.964 237 R HN 0.359 nan 8.270 nan 0.000 0.428 238 G N 2.142 110.969 108.800 0.045 0.000 2.213 238 G HA2 -0.250 3.723 3.960 0.021 0.000 0.236 238 G HA3 -0.250 3.723 3.960 0.021 0.000 0.236 238 G C 0.010 174.931 174.900 0.034 0.000 0.991 238 G CA -0.512 44.608 45.100 0.033 0.000 0.629 238 G HN 0.428 nan 8.290 nan 0.000 0.517 239 L N 1.867 123.117 121.223 0.045 0.000 2.307 239 L HA 0.491 4.843 4.340 0.021 0.000 0.282 239 L C -1.931 174.962 176.870 0.038 0.000 1.051 239 L CA -2.188 52.673 54.840 0.035 0.000 0.804 239 L CB 1.398 43.477 42.059 0.033 0.000 1.197 239 L HN -0.121 nan 8.230 nan 0.000 0.431 240 P HA 0.131 nan 4.420 nan 0.000 0.263 240 P C -0.865 176.422 177.300 -0.022 0.000 1.601 240 P CA 0.049 63.154 63.100 0.010 0.000 1.161 240 P CB 0.219 31.920 31.700 0.002 0.000 1.730 241 V N 3.859 123.754 119.914 -0.031 0.000 2.680 241 V HA 0.455 4.587 4.120 0.021 0.000 0.309 241 V C 0.447 176.386 176.094 -0.257 0.000 1.052 241 V CA -0.903 61.284 62.300 -0.189 0.000 0.908 241 V CB 2.650 34.298 31.823 -0.292 0.000 1.001 241 V HN 0.328 nan 8.190 nan 0.000 0.431 242 R N 2.909 123.218 120.500 -0.319 0.000 2.294 242 R HA 0.504 4.856 4.340 0.021 0.000 0.319 242 R C -1.795 174.276 176.300 -0.381 0.000 0.984 242 R CA -0.416 55.557 56.100 -0.211 0.000 0.861 242 R CB 0.901 31.153 30.300 -0.080 0.000 1.104 242 R HN 0.674 nan 8.270 nan 0.000 0.451 243 Y N 2.723 123.026 120.300 0.005 0.000 2.331 243 Y HA 0.235 4.795 4.550 0.018 0.000 0.338 243 Y C 0.124 176.023 175.900 -0.002 0.000 0.992 243 Y CA -0.500 57.598 58.100 -0.002 0.000 1.121 243 Y CB 2.106 40.561 38.460 -0.009 0.000 1.184 243 Y HN 0.423 nan 8.280 nan 0.000 0.469 244 Q N 3.128 122.992 119.800 0.106 0.000 2.928 244 Q HA 0.333 4.685 4.340 0.021 0.000 0.353 244 Q C -0.518 175.507 176.000 0.042 0.000 0.870 244 Q CA -0.341 55.498 55.803 0.060 0.000 0.963 244 Q CB 1.515 30.274 28.738 0.036 0.000 1.419 244 Q HN 0.921 nan 8.270 nan 0.000 0.396 255 N N 1.399 120.098 118.700 -0.002 0.000 2.230 255 N HA 0.195 4.947 4.740 0.021 0.000 0.202 255 N C -0.057 175.446 175.510 -0.010 0.000 1.119 255 N CA -0.038 53.008 53.050 -0.007 0.000 0.851 255 N CB 0.290 38.774 38.487 -0.005 0.000 0.990 255 N HN 0.322 nan 8.380 nan 0.000 0.497 256 E N 0.702 120.895 120.200 -0.011 0.000 2.413 256 E HA 0.047 4.410 4.350 0.021 0.000 0.263 256 E C 1.193 177.781 176.600 -0.020 0.000 1.015 256 E CA 0.127 56.516 56.400 -0.019 0.000 0.916 256 E CB 0.873 30.555 29.700 -0.029 0.000 0.947 256 E HN 0.505 nan 8.360 nan 0.000 0.440 257 I N -1.140 119.418 120.570 -0.021 0.000 4.018 257 I HA 0.229 4.411 4.170 0.021 0.000 0.337 257 I C -0.427 175.690 176.117 0.000 0.000 1.327 257 I CA -0.299 60.993 61.300 -0.013 0.000 1.100 257 I CB 0.636 38.626 38.000 -0.017 0.000 1.025 257 I HN 0.036 nan 8.210 nan 0.000 0.396 258 V N 2.315 122.212 119.914 -0.029 0.000 2.448 258 V HA 0.473 4.606 4.120 0.021 0.000 0.295 258 V C -1.141 174.889 176.094 -0.107 0.000 1.025 258 V CA -0.397 61.866 62.300 -0.061 0.000 0.859 258 V CB 1.531 33.301 31.823 -0.088 0.000 0.988 258 V HN 0.129 nan 8.190 nan 0.000 0.431 259 D N 3.072 123.416 120.400 -0.093 0.000 2.375 259 D HA 0.566 5.218 4.640 0.021 0.000 0.247 259 D C -0.672 175.512 176.300 -0.193 0.000 1.061 259 D CA -0.188 53.742 54.000 -0.117 0.000 0.834 259 D CB 2.532 43.357 40.800 0.042 0.000 1.247 259 D HN 0.252 nan 8.370 nan 0.000 0.489 260 V N 3.872 123.632 119.914 -0.256 0.000 2.435 260 V HA 0.650 4.782 4.120 0.021 0.000 0.290 260 V C 0.296 176.367 176.094 -0.038 0.000 1.030 260 V CA -0.412 61.795 62.300 -0.155 0.000 0.881 260 V CB 1.106 32.826 31.823 -0.173 0.000 0.983 260 V HN 0.551 nan 8.190 nan 0.000 0.445 261 M N 3.436 123.029 119.600 -0.011 0.000 2.773 261 M HA 0.613 5.106 4.480 0.021 0.000 0.270 261 M C -1.292 175.010 176.300 0.003 0.000 1.238 261 M CA -0.540 54.762 55.300 0.004 0.000 0.832 261 M CB 1.718 34.318 32.600 -0.001 0.000 1.672 261 M HN 0.398 nan 8.290 nan 0.000 0.480 262 C N 1.324 120.609 119.300 -0.026 0.000 2.604 262 C HA 0.253 4.726 4.460 0.021 0.000 0.396 262 C C 1.827 176.829 174.990 0.021 0.000 1.282 262 C CA 0.026 59.009 59.018 -0.057 0.000 2.292 262 C CB -0.409 27.251 27.740 -0.134 0.000 2.633 262 C HN 0.963 nan 8.230 nan 0.000 0.620 263 H N 1.016 120.016 119.070 -0.117 0.000 2.357 263 H HA -0.220 4.340 4.556 0.006 0.000 0.296 263 H C 2.089 177.368 175.328 -0.081 0.000 1.108 263 H CA 1.468 57.454 56.048 -0.103 0.000 1.273 263 H CB 0.074 29.755 29.762 -0.135 0.000 1.367 263 H HN 0.810 nan 8.280 nan 0.000 0.498 264 A N 0.321 123.146 122.820 0.008 0.000 2.016 264 A HA -0.104 4.229 4.320 0.021 0.000 0.217 264 A C 2.384 179.918 177.584 -0.084 0.000 1.162 264 A CA 1.435 53.448 52.037 -0.040 0.000 0.662 264 A CB -0.484 18.407 19.000 -0.181 0.000 0.812 264 A HN 0.301 nan 8.150 nan 0.000 0.450 265 T N 0.206 114.702 114.554 -0.096 0.000 2.777 265 T HA -0.122 4.240 4.350 0.021 0.000 0.266 265 T C 1.835 176.546 174.700 0.019 0.000 1.040 265 T CA 1.542 63.602 62.100 -0.067 0.000 1.141 265 T CB -0.331 68.507 68.868 -0.051 0.000 0.868 265 T HN 0.346 nan 8.240 nan 0.000 0.444 266 L N 1.086 122.327 121.223 0.030 0.000 1.976 266 L HA -0.090 4.263 4.340 0.021 0.000 0.209 266 L C 2.547 179.420 176.870 0.005 0.000 1.071 266 L CA 1.972 56.832 54.840 0.033 0.000 0.746 266 L CB -1.295 40.784 42.059 0.034 0.000 0.890 266 L HN 0.165 nan 8.230 nan 0.000 0.432 267 T N -1.331 113.242 114.554 0.031 0.000 2.720 267 T HA -0.223 4.140 4.350 0.021 0.000 0.268 267 T C 1.757 176.484 174.700 0.045 0.000 1.037 267 T CA 1.893 64.004 62.100 0.017 0.000 1.144 267 T CB -0.502 68.401 68.868 0.057 0.000 0.864 267 T HN 0.477 nan 8.240 nan 0.000 0.444 268 H N 1.008 120.043 119.070 -0.058 0.000 2.353 268 H HA 0.092 4.659 4.556 0.020 0.000 0.300 268 H C 2.513 177.815 175.328 -0.043 0.000 1.090 268 H CA 1.153 57.168 56.048 -0.055 0.000 1.327 268 H CB -0.132 29.590 29.762 -0.066 0.000 1.383 268 H HN 0.273 nan 8.280 nan 0.000 0.508 269 R N 0.057 120.611 120.500 0.091 0.000 2.081 269 R HA -0.075 4.277 4.340 0.021 0.000 0.235 269 R C 2.275 178.575 176.300 0.000 0.000 1.131 269 R CA 1.196 57.320 56.100 0.039 0.000 0.960 269 R CB -0.427 29.898 30.300 0.043 0.000 0.856 269 R HN 0.253 nan 8.270 nan 0.000 0.436 270 L N 0.211 121.403 121.223 -0.052 0.000 2.127 270 L HA -0.182 4.171 4.340 0.021 0.000 0.211 270 L C 2.433 179.276 176.870 -0.044 0.000 1.089 270 L CA 1.284 56.053 54.840 -0.118 0.000 0.757 270 L CB -0.245 41.624 42.059 -0.316 0.000 0.899 270 L HN 0.273 nan 8.230 nan 0.000 0.434 271 M N -1.020 118.568 119.600 -0.020 0.000 2.447 271 M HA -0.013 4.480 4.480 0.021 0.000 0.264 271 M C 1.314 177.638 176.300 0.041 0.000 1.095 271 M CA 0.291 55.606 55.300 0.025 0.000 1.125 271 M CB -0.059 32.555 32.600 0.023 0.000 1.389 271 M HN 0.295 nan 8.290 nan 0.000 0.459 272 S N 0.990 116.705 115.700 0.024 0.000 2.624 272 S HA 0.229 4.712 4.470 0.021 0.000 0.263 272 S C -1.708 172.914 174.600 0.037 0.000 1.287 272 S CA -1.145 57.072 58.200 0.027 0.000 0.990 272 S CB 0.055 63.266 63.200 0.019 0.000 0.950 272 S HN 0.107 nan 8.310 nan 0.000 0.561 273 P HA 0.113 nan 4.420 nan 0.000 0.253 273 P C -0.325 176.995 177.300 0.033 0.000 1.260 273 P CA -0.110 63.014 63.100 0.039 0.000 0.800 273 P CB -0.392 31.328 31.700 0.032 0.000 1.162 277 P HA 0.190 nan 4.420 nan 0.000 0.269 277 P C -0.361 176.659 177.300 -0.466 0.000 1.217 277 P CA -0.214 62.605 63.100 -0.467 0.000 0.783 277 P CB 0.264 31.462 31.700 -0.837 0.000 0.898 278 N N 1.432 119.949 118.700 -0.304 0.000 2.819 278 N HA 0.016 4.769 4.740 0.021 0.000 0.284 278 N C -0.973 174.415 175.510 -0.203 0.000 1.196 278 N CA -0.044 52.916 53.050 -0.149 0.000 1.114 278 N CB -1.023 37.415 38.487 -0.082 0.000 1.437 278 N HN 0.220 nan 8.380 nan 0.000 0.518 279 Y N 0.822 121.079 120.300 -0.070 0.000 2.511 279 Y HA 0.025 4.591 4.550 0.027 0.000 0.332 279 Y C 1.574 177.320 175.900 -0.256 0.000 1.177 279 Y CA 0.149 58.076 58.100 -0.289 0.000 1.422 279 Y CB 0.480 38.495 38.460 -0.741 0.000 1.271 279 Y HN 0.464 nan 8.280 nan 0.000 0.550 280 N N 1.449 120.114 118.700 -0.058 0.000 2.424 280 N HA 0.114 4.867 4.740 0.021 0.000 0.178 280 N C -0.892 174.575 175.510 -0.071 0.000 1.060 280 N CA 0.167 53.193 53.050 -0.041 0.000 0.901 280 N CB 0.423 38.892 38.487 -0.030 0.000 0.979 280 N HN 0.353 nan 8.380 nan 0.000 0.451 281 L N -0.147 120.956 121.223 -0.200 0.000 2.482 281 L HA 0.510 4.863 4.340 0.021 0.000 0.263 281 L C -2.010 174.626 176.870 -0.390 0.000 0.957 281 L CA -0.769 53.974 54.840 -0.161 0.000 0.836 281 L CB 1.252 43.260 42.059 -0.084 0.000 1.324 281 L HN -0.182 nan 8.230 nan 0.000 0.406 282 F N 4.070 124.008 119.950 -0.021 0.000 2.520 282 F HA 0.737 5.274 4.527 0.017 0.000 0.322 282 F C -0.347 175.445 175.800 -0.013 0.000 1.103 282 F CA -0.793 57.180 58.000 -0.045 0.000 0.926 282 F CB 2.340 41.342 39.000 0.003 0.000 1.154 282 F HN 0.135 nan 8.300 nan 0.000 0.453 283 V N 4.734 124.726 119.914 0.131 0.000 2.407 283 V HA 0.392 4.525 4.120 0.021 0.000 0.291 283 V C -0.439 175.722 176.094 0.112 0.000 1.018 283 V CA -0.698 61.670 62.300 0.114 0.000 0.842 283 V CB 1.680 33.532 31.823 0.049 0.000 0.996 283 V HN 0.812 nan 8.190 nan 0.000 0.426 284 M N 4.200 123.886 119.600 0.143 0.000 2.114 284 M HA 0.520 5.012 4.480 0.021 0.000 0.332 284 M C -0.918 175.419 176.300 0.062 0.000 1.014 284 M CA -0.420 54.888 55.300 0.013 0.000 0.956 284 M CB 1.165 33.613 32.600 -0.254 0.000 1.551 284 M HN 0.678 nan 8.290 nan 0.000 0.427 285 D N 3.611 124.085 120.400 0.124 0.000 2.264 285 D HA 0.127 4.780 4.640 0.021 0.000 0.249 285 D C -0.332 176.074 176.300 0.177 0.000 1.070 285 D CA 0.799 54.878 54.000 0.131 0.000 0.912 285 D CB 0.888 41.751 40.800 0.104 0.000 1.193 285 D HN 0.674 nan 8.370 nan 0.000 0.427 286 E N 1.243 121.542 120.200 0.166 0.000 2.210 286 E HA -0.216 4.146 4.350 0.021 0.000 0.201 286 E C -0.234 176.402 176.600 0.059 0.000 1.339 286 E CA 0.709 57.220 56.400 0.185 0.000 0.699 286 E CB -1.739 28.124 29.700 0.272 0.000 1.126 286 E HN 0.473 nan 8.360 nan 0.000 0.355 287 A N 0.374 123.209 122.820 0.025 0.000 2.310 287 A HA 0.041 4.373 4.320 0.021 0.000 0.230 287 A C 1.285 178.796 177.584 -0.121 0.000 1.294 287 A CA 0.836 52.759 52.037 -0.190 0.000 0.898 287 A CB -0.680 18.083 19.000 -0.395 0.000 0.917 287 A HN 0.581 nan 8.150 nan 0.000 0.491 288 H N -4.899 114.157 119.070 -0.024 0.000 2.622 288 H HA 0.414 4.971 4.556 0.003 0.000 0.269 288 H C 0.048 175.329 175.328 -0.079 0.000 0.977 288 H CA -0.663 55.349 56.048 -0.060 0.000 1.179 288 H CB -0.351 29.335 29.762 -0.127 0.000 1.458 288 H HN 0.283 nan 8.280 nan 0.000 0.531 289 F N 2.938 122.607 119.950 -0.468 0.000 2.572 289 F HA 0.043 4.590 4.527 0.033 0.000 0.370 289 F C 1.212 176.922 175.800 -0.149 0.000 1.103 289 F CA 0.755 58.575 58.000 -0.299 0.000 1.286 289 F CB 1.058 39.881 39.000 -0.295 0.000 1.105 289 F HN 0.301 nan 8.300 nan 0.000 0.583 290 T N -0.953 113.627 114.554 0.043 0.000 3.214 290 T HA 0.107 4.470 4.350 0.021 0.000 0.264 290 T C -0.130 174.483 174.700 -0.146 0.000 1.012 290 T CA -0.645 61.398 62.100 -0.095 0.000 0.901 290 T CB -0.721 68.037 68.868 -0.182 0.000 1.070 290 T HN 0.560 nan 8.240 nan 0.000 0.561 291 D N 2.353 122.683 120.400 -0.116 0.000 2.525 291 D HA 0.063 4.715 4.640 0.021 0.000 0.235 291 D C -1.184 174.932 176.300 -0.307 0.000 1.137 291 D CA -1.329 52.480 54.000 -0.318 0.000 0.868 291 D CB 1.066 41.744 40.800 -0.202 0.000 1.180 291 D HN -0.027 nan 8.370 nan 0.000 0.465 292 P HA -0.154 nan 4.420 nan 0.000 0.218 292 P C 0.796 178.039 177.300 -0.096 0.000 1.148 292 P CA 1.538 64.515 63.100 -0.204 0.000 0.822 292 P CB -0.026 31.579 31.700 -0.158 0.000 0.784 293 A N -0.856 121.917 122.820 -0.079 0.000 2.014 293 A HA -0.089 4.243 4.320 0.021 0.000 0.218 293 A C 2.340 179.924 177.584 -0.000 0.000 1.163 293 A CA 1.646 53.681 52.037 -0.004 0.000 0.652 293 A CB -1.321 17.713 19.000 0.058 0.000 0.808 293 A HN 0.115 nan 8.150 nan 0.000 0.449 294 S N -0.012 115.687 115.700 -0.001 0.000 2.355 294 S HA -0.089 4.394 4.470 0.021 0.000 0.222 294 S C 1.788 176.355 174.600 -0.056 0.000 1.031 294 S CA 1.415 59.630 58.200 0.025 0.000 0.993 294 S CB -0.447 62.835 63.200 0.137 0.000 0.859 294 S HN 0.561 nan 8.310 nan 0.000 0.453 295 I N 1.743 122.296 120.570 -0.029 0.000 2.226 295 I HA -0.221 3.962 4.170 0.021 0.000 0.245 295 I C 2.642 178.790 176.117 0.051 0.000 1.100 295 I CA 1.190 62.510 61.300 0.032 0.000 1.374 295 I CB -0.427 37.604 38.000 0.052 0.000 1.057 295 I HN 0.262 nan 8.210 nan 0.000 0.413 296 A N 0.601 123.439 122.820 0.030 0.000 1.898 296 A HA -0.071 4.262 4.320 0.021 0.000 0.216 296 A C 2.555 180.164 177.584 0.043 0.000 1.181 296 A CA 1.559 53.627 52.037 0.052 0.000 0.620 296 A CB -0.801 18.219 19.000 0.034 0.000 0.819 296 A HN 0.406 nan 8.150 nan 0.000 0.442 297 A N 0.055 122.867 122.820 -0.014 0.000 1.883 297 A HA -0.199 4.133 4.320 0.021 0.000 0.217 297 A C 2.245 179.791 177.584 -0.063 0.000 1.186 297 A CA 1.603 53.610 52.037 -0.049 0.000 0.624 297 A CB -0.513 18.408 19.000 -0.132 0.000 0.822 297 A HN 0.541 nan 8.150 nan 0.000 0.444 298 R N -0.999 119.424 120.500 -0.128 0.000 2.096 298 R HA -0.117 4.235 4.340 0.021 0.000 0.235 298 R C 2.388 178.743 176.300 0.091 0.000 1.127 298 R CA 1.131 57.170 56.100 -0.102 0.000 0.968 298 R CB -0.626 29.545 30.300 -0.214 0.000 0.861 298 R HN 0.553 nan 8.270 nan 0.000 0.440 299 G N 0.227 109.101 108.800 0.122 0.000 2.421 299 G HA2 -0.330 3.643 3.960 0.021 0.000 0.216 299 G HA3 -0.330 3.643 3.960 0.021 0.000 0.216 299 G C 1.258 176.217 174.900 0.098 0.000 1.171 299 G CA 0.636 45.826 45.100 0.150 0.000 0.775 299 G HN 0.355 nan 8.290 nan 0.000 0.543 300 Y N 1.337 121.618 120.300 -0.032 0.000 2.128 300 Y HA -0.124 4.437 4.550 0.018 0.000 0.284 300 Y C 2.573 178.376 175.900 -0.163 0.000 1.154 300 Y CA 1.614 59.669 58.100 -0.075 0.000 1.149 300 Y CB -0.254 38.154 38.460 -0.085 0.000 0.976 300 Y HN 0.188 nan 8.280 nan 0.000 0.505 301 I N 0.280 120.691 120.570 -0.264 0.000 2.179 301 I HA -0.337 3.845 4.170 0.021 0.000 0.242 301 I C 2.720 178.644 176.117 -0.322 0.000 1.088 301 I CA 1.337 62.314 61.300 -0.537 0.000 1.357 301 I CB -0.848 36.894 38.000 -0.430 0.000 1.051 301 I HN 0.353 nan 8.210 nan 0.000 0.409 302 A N 0.221 122.964 122.820 -0.129 0.000 1.940 302 A HA -0.227 4.106 4.320 0.021 0.000 0.219 302 A C 2.380 179.918 177.584 -0.077 0.000 1.176 302 A CA 2.552 54.555 52.037 -0.057 0.000 0.631 302 A CB -1.113 17.980 19.000 0.155 0.000 0.814 302 A HN 0.414 nan 8.150 nan 0.000 0.446 303 T N -0.150 114.335 114.554 -0.114 0.000 2.777 303 T HA -0.093 4.270 4.350 0.021 0.000 0.266 303 T C 1.980 176.579 174.700 -0.168 0.000 1.040 303 T CA 1.402 63.432 62.100 -0.117 0.000 1.141 303 T CB -0.127 68.679 68.868 -0.104 0.000 0.868 303 T HN 0.358 nan 8.240 nan 0.000 0.444 304 K N 0.915 121.137 120.400 -0.296 0.000 2.097 304 K HA 0.001 4.334 4.320 0.021 0.000 0.206 304 K C 2.348 178.887 176.600 -0.102 0.000 1.049 304 K CA 0.752 56.901 56.287 -0.231 0.000 0.933 304 K CB -0.767 31.529 32.500 -0.340 0.000 0.717 304 K HN 0.254 nan 8.250 nan 0.000 0.442 305 V N 1.278 121.130 119.914 -0.104 0.000 2.307 305 V HA -0.205 3.928 4.120 0.021 0.000 0.245 305 V C 2.382 178.447 176.094 -0.048 0.000 1.045 305 V CA 1.782 64.047 62.300 -0.058 0.000 1.024 305 V CB -0.417 31.354 31.823 -0.086 0.000 0.651 305 V HN 0.265 nan 8.190 nan 0.000 0.449 306 E N 0.626 120.795 120.200 -0.052 0.000 2.118 306 E HA -0.201 4.162 4.350 0.021 0.000 0.195 306 E C 1.837 178.419 176.600 -0.030 0.000 0.992 306 E CA 1.420 57.800 56.400 -0.033 0.000 0.804 306 E CB -0.486 29.199 29.700 -0.024 0.000 0.741 306 E HN 0.611 nan 8.360 nan 0.000 0.458 307 L N -1.009 120.191 121.223 -0.038 0.000 2.622 307 L HA 0.110 4.463 4.340 0.021 0.000 0.233 307 L C 1.474 178.332 176.870 -0.020 0.000 1.156 307 L CA 0.469 55.291 54.840 -0.029 0.000 0.866 307 L CB -0.400 41.636 42.059 -0.037 0.000 0.980 307 L HN 0.377 nan 8.230 nan 0.000 0.448 308 G N 0.242 109.031 108.800 -0.019 0.000 2.160 308 G HA2 -0.305 3.668 3.960 0.021 0.000 0.251 308 G HA3 -0.305 3.668 3.960 0.021 0.000 0.251 308 G C 0.631 175.529 174.900 -0.003 0.000 1.008 308 G CA 0.540 45.634 45.100 -0.011 0.000 0.724 308 G HN 0.525 nan 8.290 nan 0.000 0.514 309 E N -0.478 119.723 120.200 0.001 0.000 2.447 309 E HA 0.517 4.879 4.350 0.021 0.000 0.195 309 E C 1.136 177.766 176.600 0.050 0.000 1.028 309 E CA 0.706 57.116 56.400 0.018 0.000 0.876 309 E CB 0.377 30.084 29.700 0.012 0.000 0.885 309 E HN 0.987 nan 8.360 nan 0.000 0.500 310 A N 0.348 123.204 122.820 0.060 0.000 2.586 310 A HA 0.773 5.105 4.320 0.021 0.000 0.290 310 A C -1.579 176.050 177.584 0.075 0.000 1.086 310 A CA -0.406 51.697 52.037 0.110 0.000 0.665 310 A CB 1.111 20.291 19.000 0.301 0.000 1.279 310 A HN 0.071 nan 8.150 nan 0.000 0.423 311 A N -0.503 122.364 122.820 0.079 0.000 2.350 311 A HA 1.031 5.364 4.320 0.021 0.000 0.318 311 A C -0.086 177.548 177.584 0.084 0.000 1.132 311 A CA -0.088 51.971 52.037 0.037 0.000 0.811 311 A CB 1.397 20.402 19.000 0.008 0.000 1.313 311 A HN 2.625 nan 8.150 nan 0.000 0.454 312 A N 0.324 123.138 122.820 -0.010 0.000 2.549 312 A HA 0.750 5.083 4.320 0.021 0.000 0.297 312 A C -1.258 176.255 177.584 -0.118 0.000 1.061 312 A CA -0.330 51.691 52.037 -0.026 0.000 0.690 312 A CB 0.972 19.868 19.000 -0.173 0.000 1.287 312 A HN 0.755 nan 8.150 nan 0.000 0.402 313 I N 1.861 122.420 120.570 -0.019 0.000 2.447 313 I HA 0.408 4.591 4.170 0.021 0.000 0.287 313 I C -1.428 174.806 176.117 0.196 0.000 1.023 313 I CA -0.316 60.989 61.300 0.008 0.000 1.083 313 I CB 1.609 39.632 38.000 0.038 0.000 1.245 313 I HN 0.448 nan 8.210 nan 0.000 0.434 314 F N 6.369 126.293 119.950 -0.043 0.000 2.411 314 F HA 0.526 5.058 4.527 0.009 0.000 0.352 314 F C 0.153 175.951 175.800 -0.003 0.000 1.123 314 F CA -1.218 56.749 58.000 -0.055 0.000 1.044 314 F CB 1.455 40.386 39.000 -0.115 0.000 1.135 314 F HN 0.227 nan 8.300 nan 0.000 0.461 315 M N 3.330 123.043 119.600 0.190 0.000 2.149 315 M HA 0.503 4.995 4.480 0.021 0.000 0.342 315 M C -0.144 176.238 176.300 0.137 0.000 1.068 315 M CA -0.225 55.154 55.300 0.132 0.000 0.991 315 M CB 2.086 34.746 32.600 0.100 0.000 1.596 315 M HN 0.619 nan 8.290 nan 0.000 0.439 316 T N 0.805 115.435 114.554 0.126 0.000 3.168 316 T HA 0.437 4.799 4.350 0.021 0.000 0.373 316 T C 0.138 174.873 174.700 0.060 0.000 1.681 316 T CA -0.053 62.129 62.100 0.138 0.000 1.135 316 T CB 1.134 70.147 68.868 0.242 0.000 1.477 316 T HN 0.703 nan 8.240 nan 0.000 0.480 317 A N 2.238 125.056 122.820 -0.005 0.000 2.067 317 A HA 0.262 4.594 4.320 0.021 0.000 0.219 317 A C 1.226 178.771 177.584 -0.065 0.000 1.158 317 A CA 1.625 53.641 52.037 -0.035 0.000 0.661 317 A CB -0.430 18.532 19.000 -0.063 0.000 0.801 317 A HN 1.376 nan 8.150 nan 0.000 0.452 318 T N -1.503 112.982 114.554 -0.114 0.000 3.317 318 T HA 0.516 4.878 4.350 0.021 0.000 0.361 318 T C -3.165 171.532 174.700 -0.004 0.000 1.499 318 T CA -1.982 60.047 62.100 -0.117 0.000 1.529 318 T CB 1.472 70.181 68.868 -0.266 0.000 0.997 318 T HN 0.036 nan 8.240 nan 0.000 0.624 319 P HA 0.376 nan 4.420 nan 0.000 0.274 319 P C -2.758 174.639 177.300 0.161 0.000 1.246 319 P CA -1.898 61.294 63.100 0.153 0.000 0.795 319 P CB -0.436 31.376 31.700 0.188 0.000 1.006 320 P HA 0.058 nan 4.420 nan 0.000 0.262 320 P C 0.931 178.301 177.300 0.116 0.000 1.182 320 P CA 1.556 64.786 63.100 0.217 0.000 0.761 320 P CB -0.276 31.644 31.700 0.366 0.000 0.795 321 G N 1.272 110.100 108.800 0.048 0.000 2.159 321 G HA2 -0.203 3.769 3.960 0.021 0.000 0.227 321 G HA3 -0.203 3.769 3.960 0.021 0.000 0.227 321 G C 0.346 175.246 174.900 0.001 0.000 0.986 321 G CA -0.209 44.889 45.100 -0.004 0.000 0.651 321 G HN 0.587 nan 8.290 nan 0.000 0.523 322 T N 1.316 115.876 114.554 0.011 0.000 2.916 322 T HA 0.448 4.811 4.350 0.021 0.000 0.303 322 T C 1.603 176.281 174.700 -0.036 0.000 1.025 322 T CA 1.218 63.308 62.100 -0.016 0.000 1.142 322 T CB 0.988 69.835 68.868 -0.035 0.000 0.947 322 T HN 0.768 nan 8.240 nan 0.000 0.544 323 T N -1.222 113.304 114.554 -0.046 0.000 3.016 323 T HA 0.183 4.545 4.350 0.021 0.000 0.271 323 T C 0.091 174.740 174.700 -0.085 0.000 0.968 323 T CA -0.468 61.598 62.100 -0.057 0.000 0.891 323 T CB 0.297 69.141 68.868 -0.039 0.000 1.149 323 T HN 0.440 nan 8.240 nan 0.000 0.524 324 D N 2.990 123.335 120.400 -0.093 0.000 2.396 324 D HA 0.352 5.005 4.640 0.021 0.000 0.225 324 D C -1.871 174.296 176.300 -0.221 0.000 1.121 324 D CA -2.557 51.379 54.000 -0.108 0.000 0.853 324 D CB 2.005 42.776 40.800 -0.048 0.000 1.043 324 D HN -0.012 nan 8.370 nan 0.000 0.500 325 P HA 0.077 nan 4.420 nan 0.000 0.237 325 P C -0.243 176.566 177.300 -0.819 0.000 1.178 325 P CA 0.363 63.038 63.100 -0.709 0.000 0.766 325 P CB -0.017 31.041 31.700 -1.070 0.000 0.876 326 F N 1.246 121.088 119.950 -0.180 0.000 2.530 326 F HA 0.362 4.904 4.527 0.025 0.000 0.318 326 F C -1.877 173.833 175.800 -0.151 0.000 1.356 326 F CA -2.845 55.045 58.000 -0.183 0.000 1.135 326 F CB 0.016 38.932 39.000 -0.140 0.000 1.315 326 F HN -0.101 nan 8.300 nan 0.000 0.549 327 P HA 0.149 nan 4.420 nan 0.000 0.289 327 P C -0.273 176.974 177.300 -0.088 0.000 1.299 327 P CA -0.375 62.694 63.100 -0.051 0.000 0.766 327 P CB 1.077 32.736 31.700 -0.068 0.000 1.226 328 D N -0.755 119.569 120.400 -0.127 0.000 2.378 328 D HA 0.285 4.938 4.640 0.021 0.000 0.238 328 D C 0.356 176.339 176.300 -0.528 0.000 1.180 328 D CA 0.608 54.431 54.000 -0.294 0.000 0.895 328 D CB 0.219 40.840 40.800 -0.298 0.000 1.192 328 D HN 0.387 nan 8.370 nan 0.000 0.438 329 S N 0.282 115.655 115.700 -0.544 0.000 2.618 329 S HA 0.350 4.832 4.470 0.021 0.000 0.277 329 S C 0.571 174.978 174.600 -0.322 0.000 1.138 329 S CA -0.901 57.028 58.200 -0.451 0.000 0.844 329 S CB 1.326 64.414 63.200 -0.186 0.000 1.127 329 S HN 0.230 nan 8.310 nan 0.000 0.474 330 N N 0.815 119.467 118.700 -0.081 0.000 2.309 330 N HA 0.159 4.912 4.740 0.021 0.000 0.182 330 N C 0.396 175.895 175.510 -0.019 0.000 1.018 330 N CA 1.310 54.374 53.050 0.023 0.000 0.876 330 N CB -0.400 38.140 38.487 0.089 0.000 0.972 330 N HN 0.878 nan 8.380 nan 0.000 0.434 331 A N 0.373 123.167 122.820 -0.042 0.000 2.475 331 A HA 0.640 4.972 4.320 0.021 0.000 0.301 331 A C -2.718 174.817 177.584 -0.082 0.000 1.059 331 A CA -1.450 50.557 52.037 -0.049 0.000 0.710 331 A CB 1.363 20.346 19.000 -0.029 0.000 1.288 331 A HN -0.168 nan 8.150 nan 0.000 0.408 332 P HA 0.325 nan 4.420 nan 0.000 0.267 332 P C -0.911 176.290 177.300 -0.166 0.000 1.200 332 P CA 0.418 63.437 63.100 -0.134 0.000 0.772 332 P CB 0.374 31.986 31.700 -0.146 0.000 0.855 333 I N 2.013 122.493 120.570 -0.151 0.000 2.433 333 I HA 0.251 4.433 4.170 0.021 0.000 0.292 333 I C 0.251 176.296 176.117 -0.121 0.000 1.001 333 I CA -0.729 60.502 61.300 -0.115 0.000 1.119 333 I CB 1.350 39.336 38.000 -0.023 0.000 1.289 333 I HN 0.364 nan 8.210 nan 0.000 0.438 334 H N 4.607 123.673 119.070 -0.006 0.000 2.944 334 H HA 0.139 4.708 4.556 0.022 0.000 0.278 334 H C -0.962 174.338 175.328 -0.046 0.000 1.083 334 H CA -0.309 55.709 56.048 -0.050 0.000 1.479 334 H CB 0.327 30.046 29.762 -0.071 0.000 1.486 334 H HN 0.390 nan 8.280 nan 0.000 0.493 335 D N 4.899 125.344 120.400 0.075 0.000 2.274 335 D HA 0.224 4.876 4.640 0.021 0.000 0.239 335 D C -0.331 175.987 176.300 0.029 0.000 1.104 335 D CA -0.234 53.858 54.000 0.153 0.000 0.840 335 D CB 1.653 42.459 40.800 0.010 0.000 1.100 335 D HN 0.393 nan 8.370 nan 0.000 0.477 336 L N 2.191 123.351 121.223 -0.105 0.000 2.404 336 L HA 0.255 4.608 4.340 0.021 0.000 0.272 336 L C 0.008 176.482 176.870 -0.659 0.000 0.980 336 L CA -0.628 53.976 54.840 -0.393 0.000 0.836 336 L CB 2.414 44.086 42.059 -0.645 0.000 1.238 336 L HN 0.123 nan 8.230 nan 0.000 0.408 337 Q N 2.888 122.250 119.800 -0.731 0.000 2.307 337 Q HA 0.251 4.603 4.340 0.021 0.000 0.259 337 Q C -1.362 174.317 176.000 -0.534 0.000 0.998 337 Q CA -0.020 55.217 55.803 -0.943 0.000 0.923 337 Q CB 0.924 29.285 28.738 -0.627 0.000 1.196 337 Q HN 0.434 nan 8.270 nan 0.000 0.416 338 D N 2.771 122.897 120.400 -0.457 0.000 2.732 338 D HA 0.100 4.753 4.640 0.021 0.000 0.229 338 D C -1.145 175.088 176.300 -0.111 0.000 1.152 338 D CA -0.554 53.266 54.000 -0.301 0.000 0.854 338 D CB 1.583 42.095 40.800 -0.480 0.000 1.590 338 D HN 0.571 nan 8.370 nan 0.000 0.468 339 E N 1.845 122.052 120.200 0.011 0.000 2.415 339 E HA 0.084 4.447 4.350 0.021 0.000 0.260 339 E C -0.509 176.215 176.600 0.206 0.000 1.016 339 E CA -0.159 56.315 56.400 0.123 0.000 0.924 339 E CB 0.394 30.204 29.700 0.184 0.000 0.961 339 E HN 0.221 nan 8.360 nan 0.000 0.459 340 I N 7.028 127.655 120.570 0.095 0.000 2.378 340 I HA 0.288 4.471 4.170 0.021 0.000 0.291 340 I C -2.066 174.021 176.117 -0.051 0.000 0.992 340 I CA -2.914 58.380 61.300 -0.010 0.000 1.154 340 I CB 0.703 38.713 38.000 0.017 0.000 1.315 340 I HN 0.454 nan 8.210 nan 0.000 0.448 341 P HA 0.149 nan 4.420 nan 0.000 0.268 341 P C -0.168 177.191 177.300 0.099 0.000 1.205 341 P CA 0.016 62.982 63.100 -0.222 0.000 0.771 341 P CB 0.591 31.969 31.700 -0.536 0.000 0.858 342 D N 1.604 122.060 120.400 0.093 0.000 2.501 342 D HA 0.103 4.755 4.640 0.021 0.000 0.226 342 D C 0.433 176.770 176.300 0.062 0.000 1.198 342 D CA -0.346 53.710 54.000 0.094 0.000 0.830 342 D CB 0.262 41.117 40.800 0.092 0.000 1.014 342 D HN 0.459 nan 8.370 nan 0.000 0.496 343 R N -1.707 118.848 120.500 0.092 0.000 2.752 343 R HA 0.685 5.037 4.340 0.021 0.000 0.277 343 R C -1.259 175.143 176.300 0.169 0.000 1.024 343 R CA -0.985 55.163 56.100 0.080 0.000 0.866 343 R CB 0.279 30.624 30.300 0.075 0.000 1.278 343 R HN -0.106 nan 8.270 nan 0.000 0.473 344 A N 0.569 123.424 122.820 0.059 0.000 2.507 344 A HA 0.327 4.659 4.320 0.021 0.000 0.235 344 A C -0.694 177.003 177.584 0.189 0.000 1.070 344 A CA 0.359 52.378 52.037 -0.030 0.000 0.768 344 A CB -0.369 18.541 19.000 -0.150 0.000 1.011 344 A HN 0.624 nan 8.150 nan 0.000 0.502 345 W N -0.257 121.046 121.300 0.005 0.000 2.864 345 W HA 0.684 5.356 4.660 0.021 0.000 0.343 345 W C 0.042 176.596 176.519 0.059 0.000 1.109 345 W CA -0.282 57.117 57.345 0.091 0.000 1.192 345 W CB 1.103 30.712 29.460 0.248 0.000 1.426 345 W HN 0.373 nan 8.180 nan 0.000 0.529 346 S N 0.872 116.679 115.700 0.179 0.000 2.502 346 S HA 0.213 4.696 4.470 0.021 0.000 0.215 346 S C 0.223 174.902 174.600 0.131 0.000 1.009 346 S CA 0.351 58.588 58.200 0.061 0.000 0.908 346 S CB -0.146 63.086 63.200 0.052 0.000 0.801 346 S HN 0.579 nan 8.310 nan 0.000 0.505 347 S N -0.605 115.260 115.700 0.276 0.000 2.636 347 S HA 0.735 5.217 4.470 0.021 0.000 0.268 347 S C 0.003 174.755 174.600 0.253 0.000 1.159 347 S CA -0.421 57.913 58.200 0.222 0.000 0.815 347 S CB 0.850 64.114 63.200 0.106 0.000 1.130 347 S HN 1.038 nan 8.310 nan 0.000 0.471 348 G N 0.383 109.244 108.800 0.102 0.000 2.698 348 G HA2 0.052 4.024 3.960 0.021 0.000 0.233 348 G HA3 0.052 4.024 3.960 0.021 0.000 0.233 348 G C -0.240 174.627 174.900 -0.055 0.000 1.352 348 G CA 0.464 45.515 45.100 -0.082 0.000 0.879 348 G HN 2.135 nan 8.290 nan 0.000 0.567 349 Y N -1.346 118.864 120.300 -0.150 0.000 3.491 349 Y HA -0.205 4.357 4.550 0.021 0.000 0.215 349 Y C 1.801 177.452 175.900 -0.414 0.000 1.219 349 Y CA 1.532 59.358 58.100 -0.457 0.000 1.485 349 Y CB -2.108 35.736 38.460 -1.026 0.000 1.450 349 Y HN 0.744 nan 8.280 nan 0.000 0.603 350 E N -0.285 119.912 120.200 -0.006 0.000 2.160 350 E HA -0.212 4.150 4.350 0.021 0.000 0.195 350 E C 1.952 178.584 176.600 0.054 0.000 0.991 350 E CA 1.710 58.147 56.400 0.061 0.000 0.810 350 E CB -0.417 29.347 29.700 0.105 0.000 0.742 350 E HN 0.835 nan 8.360 nan 0.000 0.466 351 W N 0.607 121.926 121.300 0.032 0.000 2.364 351 W HA -0.130 4.542 4.660 0.019 0.000 0.281 351 W C 1.401 177.924 176.519 0.005 0.000 1.219 351 W CA 0.632 57.981 57.345 0.007 0.000 1.220 351 W CB -0.903 28.520 29.460 -0.061 0.000 1.127 351 W HN 0.046 nan 8.180 nan 0.000 0.556 352 I N 2.100 122.178 120.570 -0.821 0.000 2.202 352 I HA -0.266 3.916 4.170 0.021 0.000 0.242 352 I C 2.649 178.800 176.117 0.057 0.000 1.091 352 I CA 2.589 63.486 61.300 -0.672 0.000 1.368 352 I CB -0.756 36.687 38.000 -0.930 0.000 1.058 352 I HN -0.005 nan 8.210 nan 0.000 0.410 353 T N -3.135 111.491 114.554 0.120 0.000 3.037 353 T HA 0.082 4.444 4.350 0.021 0.000 0.252 353 T C 1.562 176.400 174.700 0.230 0.000 1.073 353 T CA 0.138 62.394 62.100 0.260 0.000 1.091 353 T CB -0.047 68.960 68.868 0.232 0.000 0.935 353 T HN 0.271 nan 8.240 nan 0.000 0.488 354 E N 0.237 120.554 120.200 0.195 0.000 2.150 354 E HA 0.003 4.365 4.350 0.021 0.000 0.193 354 E C 0.013 176.730 176.600 0.196 0.000 0.985 354 E CA 0.201 56.707 56.400 0.176 0.000 0.814 354 E CB -0.117 29.688 29.700 0.174 0.000 0.752 354 E HN 0.599 nan 8.360 nan 0.000 0.466 355 Y N 0.378 120.742 120.300 0.107 0.000 2.712 355 Y HA -0.053 4.510 4.550 0.021 0.000 0.333 355 Y C 0.901 176.824 175.900 0.037 0.000 1.225 355 Y CA 0.171 58.318 58.100 0.078 0.000 1.499 355 Y CB 0.764 39.272 38.460 0.079 0.000 1.288 355 Y HN -0.099 nan 8.280 nan 0.000 0.575 356 A N 4.680 127.195 122.820 -0.508 0.000 2.081 356 A HA 0.250 4.582 4.320 0.021 0.000 0.214 356 A C 1.385 178.715 177.584 -0.424 0.000 1.158 356 A CA 0.746 52.572 52.037 -0.352 0.000 0.724 356 A CB -0.854 17.983 19.000 -0.272 0.000 0.826 356 A HN 0.895 nan 8.150 nan 0.000 0.463 357 G N -0.302 108.011 108.800 -0.812 0.000 2.509 357 G HA2 0.446 4.419 3.960 0.021 0.000 0.269 357 G HA3 0.446 4.419 3.960 0.021 0.000 0.269 357 G C -0.282 174.575 174.900 -0.071 0.000 1.416 357 G CA -0.662 44.216 45.100 -0.370 0.000 1.052 357 G HN 0.317 nan 8.290 nan 0.000 0.542 358 K N -0.356 120.025 120.400 -0.032 0.000 2.130 358 K HA 0.531 4.864 4.320 0.021 0.000 0.268 358 K C -0.834 175.817 176.600 0.084 0.000 0.983 358 K CA -0.135 56.063 56.287 -0.148 0.000 0.893 358 K CB 1.666 33.859 32.500 -0.511 0.000 1.066 358 K HN 0.332 nan 8.250 nan 0.000 0.450 359 T N 1.296 115.871 114.554 0.035 0.000 2.861 359 T HA 0.300 4.662 4.350 0.021 0.000 0.287 359 T C -0.809 174.064 174.700 0.288 0.000 1.003 359 T CA -0.677 61.446 62.100 0.039 0.000 0.977 359 T CB 1.577 70.240 68.868 -0.341 0.000 0.996 359 T HN 0.138 nan 8.240 nan 0.000 0.448 360 V N 3.718 123.801 119.914 0.282 0.000 2.398 360 V HA 0.465 4.598 4.120 0.021 0.000 0.286 360 V C -0.919 175.302 176.094 0.211 0.000 1.026 360 V CA -0.857 61.555 62.300 0.187 0.000 0.868 360 V CB 1.338 33.213 31.823 0.087 0.000 0.982 360 V HN 0.804 nan 8.190 nan 0.000 0.443 361 W N 6.964 128.253 121.300 -0.019 0.000 2.411 361 W HA 0.581 5.251 4.660 0.018 0.000 0.317 361 W C -1.429 175.040 176.519 -0.083 0.000 1.030 361 W CA -2.228 55.153 57.345 0.060 0.000 1.239 361 W CB 1.390 30.952 29.460 0.170 0.000 1.304 361 W HN 0.409 nan 8.180 nan 0.000 0.437 362 F N 6.253 126.542 119.950 0.564 0.000 2.421 362 F HA 0.294 4.837 4.527 0.027 0.000 0.358 362 F C 0.896 176.941 175.800 0.408 0.000 1.115 362 F CA -0.373 57.852 58.000 0.374 0.000 1.160 362 F CB 0.592 39.757 39.000 0.275 0.000 1.123 362 F HN 0.108 nan 8.300 nan 0.000 0.508 363 V N 0.736 120.858 119.914 0.346 0.000 2.975 363 V HA 0.802 4.934 4.120 0.021 0.000 0.318 363 V C 0.552 176.748 176.094 0.170 0.000 1.077 363 V CA -0.524 61.893 62.300 0.195 0.000 1.000 363 V CB 1.364 33.151 31.823 -0.060 0.000 1.066 363 V HN 0.762 nan 8.190 nan 0.000 0.452 364 A N 1.450 124.345 122.820 0.124 0.000 2.072 364 A HA 0.431 4.764 4.320 0.021 0.000 0.216 364 A C 1.170 178.792 177.584 0.063 0.000 1.156 364 A CA 0.989 53.085 52.037 0.098 0.000 0.701 364 A CB -0.569 18.483 19.000 0.086 0.000 0.816 364 A HN 1.740 nan 8.150 nan 0.000 0.458 365 S N -2.974 112.750 115.700 0.040 0.000 2.570 365 S HA 0.413 4.896 4.470 0.021 0.000 0.270 365 S C 0.480 175.078 174.600 -0.002 0.000 1.149 365 S CA -0.002 58.211 58.200 0.021 0.000 0.837 365 S CB 1.177 64.386 63.200 0.015 0.000 1.124 365 S HN 0.216 nan 8.310 nan 0.000 0.465 366 V N 2.245 122.159 119.914 -0.001 0.000 2.407 366 V HA -0.135 3.998 4.120 0.021 0.000 0.248 366 V C 2.754 178.826 176.094 -0.037 0.000 1.055 366 V CA 2.266 64.555 62.300 -0.019 0.000 1.049 366 V CB -0.962 30.858 31.823 -0.006 0.000 0.662 366 V HN 1.008 nan 8.190 nan 0.000 0.455 367 K N -0.220 120.165 120.400 -0.024 0.000 2.009 367 K HA -0.197 4.135 4.320 0.021 0.000 0.210 367 K C 2.272 178.840 176.600 -0.052 0.000 1.049 367 K CA 1.937 58.206 56.287 -0.031 0.000 0.929 367 K CB -0.210 32.283 32.500 -0.012 0.000 0.714 367 K HN 0.356 nan 8.250 nan 0.000 0.440 368 M N -0.046 119.526 119.600 -0.047 0.000 2.080 368 M HA -0.134 4.359 4.480 0.021 0.000 0.260 368 M C 2.307 178.523 176.300 -0.141 0.000 1.068 368 M CA 1.869 57.128 55.300 -0.068 0.000 1.109 368 M CB -0.668 31.910 32.600 -0.036 0.000 1.342 368 M HN 0.433 nan 8.290 nan 0.000 0.405 369 G N 0.193 108.903 108.800 -0.151 0.000 2.505 369 G HA2 -0.325 3.648 3.960 0.021 0.000 0.220 369 G HA3 -0.325 3.648 3.960 0.021 0.000 0.220 369 G C 1.223 175.993 174.900 -0.217 0.000 1.145 369 G CA 1.809 46.774 45.100 -0.225 0.000 0.761 369 G HN 0.452 nan 8.290 nan 0.000 0.571 370 N N 0.367 118.979 118.700 -0.147 0.000 2.142 370 N HA -0.066 4.686 4.740 0.021 0.000 0.186 370 N C 2.107 177.524 175.510 -0.155 0.000 1.023 370 N CA 1.530 54.499 53.050 -0.135 0.000 0.852 370 N CB -0.256 38.175 38.487 -0.093 0.000 0.998 370 N HN 0.473 nan 8.380 nan 0.000 0.424 371 E N -0.102 120.010 120.200 -0.145 0.000 2.058 371 E HA -0.175 4.187 4.350 0.021 0.000 0.194 371 E C 2.009 178.479 176.600 -0.216 0.000 0.997 371 E CA 1.229 57.539 56.400 -0.149 0.000 0.801 371 E CB -0.161 29.476 29.700 -0.104 0.000 0.746 371 E HN 0.463 nan 8.360 nan 0.000 0.450 372 I N 0.983 121.398 120.570 -0.257 0.000 2.163 372 I HA -0.306 3.877 4.170 0.021 0.000 0.243 372 I C 2.587 178.467 176.117 -0.395 0.000 1.085 372 I CA 1.164 62.251 61.300 -0.357 0.000 1.347 372 I CB -0.349 37.283 38.000 -0.613 0.000 1.044 372 I HN 0.083 nan 8.210 nan 0.000 0.408 373 A N 0.558 123.176 122.820 -0.336 0.000 1.883 373 A HA -0.244 4.088 4.320 0.021 0.000 0.217 373 A C 2.375 179.819 177.584 -0.233 0.000 1.186 373 A CA 1.851 53.728 52.037 -0.266 0.000 0.624 373 A CB -0.635 18.250 19.000 -0.192 0.000 0.822 373 A HN 0.369 nan 8.150 nan 0.000 0.444 374 M N -1.372 118.098 119.600 -0.216 0.000 2.175 374 M HA -0.156 4.336 4.480 0.021 0.000 0.264 374 M C 2.481 178.632 176.300 -0.249 0.000 1.063 374 M CA 1.346 56.531 55.300 -0.192 0.000 1.119 374 M CB -0.715 31.790 32.600 -0.158 0.000 1.377 374 M HN 0.688 nan 8.290 nan 0.000 0.415 375 C N 1.209 120.298 119.300 -0.351 0.000 2.413 375 C HA -0.156 4.317 4.460 0.021 0.000 0.277 375 C C 2.649 177.344 174.990 -0.492 0.000 1.228 375 C CA 0.961 59.666 59.018 -0.521 0.000 1.731 375 C CB -1.012 26.231 27.740 -0.829 0.000 2.042 375 C HN 0.516 nan 8.230 nan 0.000 0.468 376 L N 0.345 121.299 121.223 -0.448 0.000 2.079 376 L HA -0.221 4.132 4.340 0.021 0.000 0.210 376 L C 2.836 179.598 176.870 -0.179 0.000 1.081 376 L CA 1.809 56.457 54.840 -0.320 0.000 0.752 376 L CB -0.769 41.034 42.059 -0.426 0.000 0.896 376 L HN 0.501 nan 8.230 nan 0.000 0.433 377 Q N -0.383 119.320 119.800 -0.163 0.000 2.079 377 Q HA -0.165 4.187 4.340 0.021 0.000 0.200 377 Q C 2.338 178.284 176.000 -0.091 0.000 0.974 377 Q CA 1.195 56.943 55.803 -0.092 0.000 0.840 377 Q CB -0.062 28.625 28.738 -0.086 0.000 0.898 377 Q HN 0.439 nan 8.270 nan 0.000 0.430 378 R N 0.108 120.527 120.500 -0.135 0.000 2.152 378 R HA -0.067 4.285 4.340 0.021 0.000 0.232 378 R C 1.760 178.000 176.300 -0.099 0.000 1.117 378 R CA 1.050 57.078 56.100 -0.120 0.000 0.981 378 R CB -0.166 30.041 30.300 -0.156 0.000 0.870 378 R HN 0.129 nan 8.270 nan 0.000 0.451 379 A N 0.054 122.808 122.820 -0.109 0.000 2.251 379 A HA 0.258 4.591 4.320 0.021 0.000 0.209 379 A C 1.344 178.928 177.584 -0.000 0.000 1.187 379 A CA 0.664 52.669 52.037 -0.053 0.000 0.823 379 A CB 0.028 19.000 19.000 -0.048 0.000 0.846 379 A HN 0.433 nan 8.150 nan 0.000 0.486 380 G N -0.745 108.052 108.800 -0.004 0.000 2.157 380 G HA2 -0.205 3.767 3.960 0.021 0.000 0.239 380 G HA3 -0.205 3.767 3.960 0.021 0.000 0.239 380 G C 0.076 175.011 174.900 0.059 0.000 0.982 380 G CA 0.206 45.320 45.100 0.023 0.000 0.650 380 G HN 0.365 nan 8.290 nan 0.000 0.527 381 K N 0.790 121.237 120.400 0.079 0.000 2.218 381 K HA 0.377 4.710 4.320 0.021 0.000 0.276 381 K C 0.513 177.198 176.600 0.142 0.000 1.022 381 K CA -0.274 56.113 56.287 0.166 0.000 0.946 381 K CB 1.055 33.708 32.500 0.254 0.000 1.000 381 K HN 0.262 nan 8.250 nan 0.000 0.468 382 K N 1.809 122.322 120.400 0.187 0.000 2.258 382 K HA 0.291 4.623 4.320 0.021 0.000 0.284 382 K C -0.545 176.208 176.600 0.254 0.000 1.051 382 K CA -0.465 55.927 56.287 0.175 0.000 0.923 382 K CB 1.025 33.624 32.500 0.166 0.000 1.046 382 K HN 0.199 nan 8.250 nan 0.000 0.474 383 V N 5.261 125.269 119.914 0.157 0.000 2.656 383 V HA 0.458 4.590 4.120 0.021 0.000 0.307 383 V C -0.302 175.809 176.094 0.028 0.000 1.051 383 V CA -0.902 61.479 62.300 0.136 0.000 0.893 383 V CB 1.921 33.765 31.823 0.035 0.000 0.999 383 V HN 0.625 nan 8.190 nan 0.000 0.426 384 I N 3.481 124.024 120.570 -0.045 0.000 2.406 384 I HA 0.409 4.591 4.170 0.021 0.000 0.290 384 I C -0.163 175.866 176.117 -0.146 0.000 0.999 384 I CA -0.399 60.809 61.300 -0.154 0.000 1.124 384 I CB 1.846 39.632 38.000 -0.357 0.000 1.289 384 I HN 0.595 nan 8.210 nan 0.000 0.441 385 Q N 7.122 126.856 119.800 -0.110 0.000 2.421 385 Q HA 0.414 4.767 4.340 0.021 0.000 0.242 385 Q C -0.951 175.008 176.000 -0.069 0.000 1.024 385 Q CA -0.367 55.380 55.803 -0.093 0.000 0.891 385 Q CB 1.431 30.121 28.738 -0.080 0.000 1.222 385 Q HN 0.547 nan 8.270 nan 0.000 0.483 386 L N 4.739 125.923 121.223 -0.065 0.000 2.315 386 L HA 0.210 4.563 4.340 0.021 0.000 0.278 386 L C 0.550 177.448 176.870 0.047 0.000 1.088 386 L CA -0.147 54.698 54.840 0.007 0.000 0.899 386 L CB -0.270 41.801 42.059 0.021 0.000 1.277 386 L HN 0.693 nan 8.230 nan 0.000 0.431 387 N N 1.715 120.443 118.700 0.046 0.000 2.241 387 N HA 0.230 4.982 4.740 0.021 0.000 0.124 387 N C 0.458 176.001 175.510 0.054 0.000 1.667 387 N CA -0.673 52.408 53.050 0.052 0.000 1.183 387 N CB 0.555 39.057 38.487 0.025 0.000 1.254 387 N HN 0.133 nan 8.380 nan 0.000 0.290 388 R N 0.802 121.321 120.500 0.030 0.000 2.568 388 R HA 0.236 4.588 4.340 0.021 0.000 0.288 388 R C -0.141 176.167 176.300 0.014 0.000 1.077 388 R CA 0.049 56.160 56.100 0.019 0.000 1.102 388 R CB -0.462 29.842 30.300 0.007 0.000 1.278 388 R HN 0.501 nan 8.270 nan 0.000 0.560 389 K N -0.815 119.596 120.400 0.019 0.000 2.500 389 K HA 0.131 4.463 4.320 0.021 0.000 0.206 389 K C 1.389 178.017 176.600 0.047 0.000 1.034 389 K CA -0.081 56.214 56.287 0.013 0.000 1.179 389 K CB 0.668 33.168 32.500 -0.000 0.000 0.884 389 K HN -0.100 nan 8.250 nan 0.000 0.493 390 S N 1.059 116.801 115.700 0.071 0.000 2.557 390 S HA -0.234 4.248 4.470 0.021 0.000 0.225 390 S C 0.752 175.465 174.600 0.187 0.000 1.092 390 S CA 0.944 59.236 58.200 0.153 0.000 1.310 390 S CB -0.291 62.943 63.200 0.057 0.000 1.147 390 S HN 0.569 nan 8.310 nan 0.000 0.402 391 Y N 1.892 122.090 120.300 -0.170 0.000 2.971 391 Y HA 0.119 4.683 4.550 0.024 0.000 0.384 391 Y C 0.101 175.969 175.900 -0.053 0.000 1.166 391 Y CA -0.790 57.220 58.100 -0.150 0.000 1.973 391 Y CB -0.409 37.870 38.460 -0.301 0.000 2.082 391 Y HN 0.403 nan 8.280 nan 0.000 0.420 392 D N -0.738 119.621 120.400 -0.068 0.000 2.929 392 D HA 0.048 4.701 4.640 0.021 0.000 0.246 392 D C 1.567 177.792 176.300 -0.124 0.000 1.237 392 D CA 0.661 54.579 54.000 -0.136 0.000 1.171 392 D CB -0.180 40.584 40.800 -0.059 0.000 0.933 392 D HN 0.141 nan 8.370 nan 0.000 0.216 393 T N 0.491 115.017 114.554 -0.048 0.000 3.044 393 T HA 0.018 4.380 4.350 0.021 0.000 0.255 393 T C 1.333 176.050 174.700 0.028 0.000 1.073 393 T CA 0.476 62.564 62.100 -0.020 0.000 1.125 393 T CB 0.144 68.998 68.868 -0.023 0.000 0.908 393 T HN 0.054 nan 8.240 nan 0.000 0.480 394 E N 0.961 121.184 120.200 0.038 0.000 2.072 394 E HA -0.051 4.311 4.350 0.021 0.000 0.191 394 E C 1.785 178.410 176.600 0.041 0.000 0.985 394 E CA 0.915 57.321 56.400 0.010 0.000 0.801 394 E CB -0.586 29.112 29.700 -0.004 0.000 0.750 394 E HN 0.480 nan 8.360 nan 0.000 0.452 395 Y N 1.597 121.923 120.300 0.043 0.000 2.014 395 Y HA -0.172 4.388 4.550 0.017 0.000 0.272 395 Y C -0.693 175.250 175.900 0.072 0.000 1.164 395 Y CA 2.141 60.303 58.100 0.103 0.000 1.114 395 Y CB -1.082 37.526 38.460 0.246 0.000 0.961 395 Y HN 0.108 nan 8.280 nan 0.000 0.489 396 P HA 0.122 nan 4.420 nan 0.000 0.254 396 P C 0.415 177.751 177.300 0.059 0.000 1.494 396 P CA 0.547 63.737 63.100 0.150 0.000 0.961 396 P CB 0.064 31.912 31.700 0.247 0.000 1.493 397 K N -0.664 119.728 120.400 -0.012 0.000 2.418 397 K HA 0.034 4.366 4.320 0.021 0.000 0.195 397 K C 0.926 177.458 176.600 -0.115 0.000 1.035 397 K CA 0.545 56.804 56.287 -0.047 0.000 1.003 397 K CB -0.072 32.390 32.500 -0.065 0.000 0.793 397 K HN 0.144 nan 8.250 nan 0.000 0.494 398 C N 0.180 119.304 119.300 -0.293 0.000 2.495 398 C HA 0.107 4.579 4.460 0.021 0.000 0.275 398 C C 2.029 177.091 174.990 0.119 0.000 1.392 398 C CA 0.100 58.855 59.018 -0.438 0.000 1.766 398 C CB -0.342 26.597 27.740 -1.335 0.000 1.933 398 C HN 0.373 nan 8.230 nan 0.000 0.519 399 K N 1.412 121.857 120.400 0.075 0.000 2.217 399 K HA -0.087 4.246 4.320 0.021 0.000 0.202 399 K C 1.887 178.573 176.600 0.144 0.000 1.051 399 K CA 0.741 57.116 56.287 0.148 0.000 0.952 399 K CB -0.285 32.286 32.500 0.119 0.000 0.736 399 K HN 0.541 nan 8.250 nan 0.000 0.453 400 N N -0.353 118.425 118.700 0.131 0.000 2.149 400 N HA -0.193 4.559 4.740 0.021 0.000 0.188 400 N C 1.066 176.641 175.510 0.109 0.000 1.019 400 N CA 1.240 54.355 53.050 0.110 0.000 0.857 400 N CB 0.095 38.644 38.487 0.103 0.000 0.997 400 N HN 0.322 nan 8.380 nan 0.000 0.426 401 G N 0.526 109.443 108.800 0.195 0.000 2.175 401 G HA2 -0.245 3.728 3.960 0.021 0.000 0.244 401 G HA3 -0.245 3.728 3.960 0.021 0.000 0.244 401 G C -0.020 174.780 174.900 -0.167 0.000 0.982 401 G CA 0.367 45.468 45.100 0.001 0.000 0.641 401 G HN 0.520 nan 8.290 nan 0.000 0.527 402 D N 1.560 121.996 120.400 0.060 0.000 2.713 402 D HA 0.427 5.079 4.640 0.021 0.000 0.229 402 D C 0.702 177.092 176.300 0.150 0.000 1.136 402 D CA -0.385 53.631 54.000 0.026 0.000 1.010 402 D CB -0.636 40.193 40.800 0.049 0.000 1.084 402 D HN 0.551 nan 8.370 nan 0.000 0.495 403 W N 0.850 122.144 121.300 -0.009 0.000 3.118 403 W HA 0.401 5.072 4.660 0.018 0.000 0.328 403 W C -0.528 176.004 176.519 0.021 0.000 1.239 403 W CA -0.746 56.604 57.345 0.007 0.000 1.176 403 W CB 0.523 29.969 29.460 -0.024 0.000 1.433 403 W HN -0.206 nan 8.180 nan 0.000 0.562 404 D N 0.378 120.988 120.400 0.351 0.000 2.394 404 D HA 0.163 4.816 4.640 0.021 0.000 0.226 404 D C -0.384 176.033 176.300 0.194 0.000 0.990 404 D CA 1.013 55.123 54.000 0.183 0.000 0.902 404 D CB 0.889 41.862 40.800 0.289 0.000 1.038 404 D HN 0.048 nan 8.370 nan 0.000 0.499 405 F N 0.521 120.777 119.950 0.510 0.000 2.569 405 F HA 0.346 4.885 4.527 0.020 0.000 0.312 405 F C -0.347 175.569 175.800 0.194 0.000 1.109 405 F CA -1.054 57.199 58.000 0.421 0.000 0.919 405 F CB 2.464 41.627 39.000 0.273 0.000 1.211 405 F HN -0.432 nan 8.300 nan 0.000 0.446 406 V N 4.978 124.982 119.914 0.150 0.000 2.370 406 V HA 0.392 4.524 4.120 0.021 0.000 0.283 406 V C -0.248 175.845 176.094 -0.001 0.000 1.023 406 V CA -0.628 61.560 62.300 -0.187 0.000 0.857 406 V CB 1.375 32.877 31.823 -0.535 0.000 0.985 406 V HN 0.418 nan 8.190 nan 0.000 0.443 407 I N 4.440 124.981 120.570 -0.048 0.000 2.321 407 I HA 0.521 4.703 4.170 0.021 0.000 0.291 407 I C 0.218 176.274 176.117 -0.102 0.000 0.998 407 I CA 0.284 61.535 61.300 -0.082 0.000 1.227 407 I CB 1.283 39.178 38.000 -0.175 0.000 1.368 407 I HN 0.639 nan 8.210 nan 0.000 0.466 408 T N 3.006 117.498 114.554 -0.103 0.000 2.883 408 T HA 0.429 4.792 4.350 0.021 0.000 0.301 408 T C 0.728 175.477 174.700 0.081 0.000 1.158 408 T CA -0.204 61.873 62.100 -0.038 0.000 1.007 408 T CB 1.585 70.422 68.868 -0.052 0.000 1.186 408 T HN 0.732 nan 8.240 nan 0.000 0.499 409 T N -0.517 114.126 114.554 0.148 0.000 3.022 409 T HA 0.365 4.728 4.350 0.021 0.000 0.250 409 T C 0.346 175.226 174.700 0.300 0.000 1.060 409 T CA -0.033 62.191 62.100 0.208 0.000 1.013 409 T CB 0.199 69.139 68.868 0.121 0.000 0.982 409 T HN 0.525 nan 8.240 nan 0.000 0.508 410 D N 0.468 121.075 120.400 0.346 0.000 2.946 410 D HA 0.286 4.939 4.640 0.021 0.000 0.337 410 D C -0.734 175.773 176.300 0.344 0.000 1.332 410 D CA -0.890 53.285 54.000 0.293 0.000 0.935 410 D CB 1.938 42.854 40.800 0.193 0.000 1.440 410 D HN 0.364 nan 8.370 nan 0.000 0.540 411 I N -0.052 120.692 120.570 0.289 0.000 2.810 411 I HA -0.235 3.947 4.170 0.021 0.000 0.126 411 I C -0.558 175.747 176.117 0.314 0.000 0.891 411 I CA 0.264 61.761 61.300 0.330 0.000 2.783 411 I CB -1.394 36.765 38.000 0.266 0.000 0.627 411 I HN 0.308 nan 8.210 nan 0.000 0.351 417 N N -0.522 117.917 118.700 -0.434 0.000 2.381 417 N HA 0.767 5.520 4.740 0.021 0.000 0.254 417 N C -0.600 174.555 175.510 -0.592 0.000 1.264 417 N CA 0.582 53.361 53.050 -0.452 0.000 0.942 417 N CB 0.095 38.504 38.487 -0.131 0.000 1.190 417 N HN 0.420 nan 8.380 nan 0.000 0.495 418 F N -2.042 117.977 119.950 0.115 0.000 2.922 418 F HA 0.428 4.975 4.527 0.033 0.000 0.345 418 F C 1.520 177.466 175.800 0.245 0.000 1.209 418 F CA -1.046 57.082 58.000 0.212 0.000 1.018 418 F CB 0.176 39.354 39.000 0.297 0.000 1.472 418 F HN 0.464 nan 8.300 nan 0.000 0.521 419 G N -0.044 109.110 108.800 0.589 0.000 3.061 419 G HA2 0.353 4.326 3.960 0.021 0.000 0.208 419 G HA3 0.353 4.326 3.960 0.021 0.000 0.208 419 G C 0.181 175.181 174.900 0.167 0.000 1.175 419 G CA 0.381 45.621 45.100 0.234 0.000 0.812 419 G HN 0.652 nan 8.290 nan 0.000 0.523 420 A N 0.540 123.566 122.820 0.342 0.000 2.477 420 A HA 0.486 4.818 4.320 0.021 0.000 0.246 420 A C 1.492 179.193 177.584 0.195 0.000 1.078 420 A CA 0.519 52.727 52.037 0.285 0.000 0.770 420 A CB 0.494 19.723 19.000 0.382 0.000 1.011 420 A HN 0.653 nan 8.150 nan 0.000 0.494 421 S N 1.467 117.283 115.700 0.193 0.000 2.523 421 S HA 0.259 4.741 4.470 0.021 0.000 0.217 421 S C 0.587 175.330 174.600 0.238 0.000 0.996 421 S CA -0.075 58.252 58.200 0.213 0.000 0.921 421 S CB 0.056 63.393 63.200 0.229 0.000 0.829 421 S HN 0.807 nan 8.310 nan 0.000 0.495 422 R N 0.458 121.076 120.500 0.195 0.000 2.621 422 R HA 0.672 5.025 4.340 0.021 0.000 0.284 422 R C -2.156 174.252 176.300 0.180 0.000 0.998 422 R CA -0.479 55.682 56.100 0.101 0.000 0.895 422 R CB 2.082 32.203 30.300 -0.299 0.000 1.195 422 R HN 0.124 nan 8.270 nan 0.000 0.450 423 V N 5.838 125.915 119.914 0.272 0.000 2.495 423 V HA 0.480 4.612 4.120 0.021 0.000 0.298 423 V C -0.116 176.133 176.094 0.260 0.000 1.031 423 V CA -0.673 61.843 62.300 0.360 0.000 0.871 423 V CB 1.856 34.024 31.823 0.575 0.000 0.988 423 V HN 0.659 nan 8.190 nan 0.000 0.432 424 I N 3.931 124.597 120.570 0.159 0.000 2.339 424 I HA 0.434 4.617 4.170 0.021 0.000 0.290 424 I C -0.899 175.269 176.117 0.084 0.000 0.994 424 I CA -0.239 61.009 61.300 -0.085 0.000 1.191 424 I CB 1.715 39.329 38.000 -0.644 0.000 1.343 424 I HN 0.538 nan 8.210 nan 0.000 0.458 425 D N 5.555 125.993 120.400 0.064 0.000 2.505 425 D HA 0.184 4.836 4.640 0.021 0.000 0.250 425 D C 0.792 177.197 176.300 0.175 0.000 1.164 425 D CA -0.668 53.478 54.000 0.243 0.000 0.870 425 D CB 1.517 42.458 40.800 0.235 0.000 1.160 425 D HN 0.693 nan 8.370 nan 0.000 0.549 426 C N 3.542 123.003 119.300 0.269 0.000 2.422 426 C HA 0.140 4.612 4.460 0.021 0.000 0.286 426 C C 1.292 176.384 174.990 0.169 0.000 1.412 426 C CA -0.150 59.002 59.018 0.223 0.000 1.786 426 C CB -0.694 27.218 27.740 0.286 0.000 1.835 426 C HN 0.784 nan 8.230 nan 0.000 0.533 427 R N 0.374 120.970 120.500 0.160 0.000 3.878 427 R HA -0.132 4.220 4.340 0.021 0.000 0.330 427 R C -0.534 175.818 176.300 0.087 0.000 1.186 427 R CA 1.209 57.376 56.100 0.112 0.000 0.885 427 R CB -2.100 28.277 30.300 0.129 0.000 1.377 427 R HN 0.765 nan 8.270 nan 0.000 0.523 428 K N 0.129 120.590 120.400 0.102 0.000 2.443 428 K HA 0.620 4.952 4.320 0.021 0.000 0.251 428 K C -0.154 176.494 176.600 0.079 0.000 0.972 428 K CA -0.349 55.985 56.287 0.079 0.000 0.833 428 K CB 2.399 34.948 32.500 0.081 0.000 1.317 428 K HN 0.152 nan 8.250 nan 0.000 0.441 429 S N -1.011 114.721 115.700 0.053 0.000 2.596 429 S HA 0.470 4.953 4.470 0.021 0.000 0.270 429 S C -1.020 173.594 174.600 0.024 0.000 1.155 429 S CA -0.901 57.328 58.200 0.049 0.000 0.827 429 S CB 1.342 64.568 63.200 0.043 0.000 1.130 429 S HN 0.182 nan 8.310 nan 0.000 0.467 430 V N 2.394 122.318 119.914 0.017 0.000 2.383 430 V HA 0.545 4.677 4.120 0.021 0.000 0.275 430 V C -0.402 175.672 176.094 -0.033 0.000 1.036 430 V CA -0.338 61.958 62.300 -0.007 0.000 0.889 430 V CB 0.980 32.801 31.823 -0.004 0.000 0.985 430 V HN 0.736 nan 8.190 nan 0.000 0.459 431 K N 5.922 126.284 120.400 -0.063 0.000 2.316 431 K HA 0.529 4.862 4.320 0.021 0.000 0.251 431 K C -2.836 173.669 176.600 -0.157 0.000 0.934 431 K CA -2.415 53.801 56.287 -0.119 0.000 0.802 431 K CB 2.326 34.751 32.500 -0.126 0.000 1.171 431 K HN 0.258 nan 8.250 nan 0.000 0.426 432 P HA 0.114 nan 4.420 nan 0.000 0.271 432 P C -0.743 176.402 177.300 -0.258 0.000 1.226 432 P CA -0.048 62.914 63.100 -0.231 0.000 0.765 432 P CB 0.370 31.934 31.700 -0.227 0.000 0.835 433 T N 4.279 118.705 114.554 -0.213 0.000 2.841 433 T HA 0.484 4.847 4.350 0.021 0.000 0.283 433 T C 0.389 174.950 174.700 -0.231 0.000 1.000 433 T CA -0.472 61.517 62.100 -0.186 0.000 0.977 433 T CB 0.930 69.726 68.868 -0.120 0.000 0.979 433 T HN 0.202 nan 8.240 nan 0.000 0.446 434 I N 3.274 123.708 120.570 -0.226 0.000 2.395 434 I HA 0.307 4.490 4.170 0.021 0.000 0.289 434 I C -0.356 175.672 176.117 -0.149 0.000 1.023 434 I CA -0.532 60.597 61.300 -0.285 0.000 1.350 434 I CB 0.733 38.577 38.000 -0.259 0.000 1.409 434 I HN 0.334 nan 8.210 nan 0.000 0.507 435 L N 6.991 128.129 121.223 -0.141 0.000 2.294 435 L HA 0.313 4.666 4.340 0.021 0.000 0.283 435 L C 0.699 177.581 176.870 0.021 0.000 1.015 435 L CA -0.372 54.444 54.840 -0.040 0.000 0.831 435 L CB 1.341 43.384 42.059 -0.026 0.000 1.217 435 L HN 0.630 nan 8.230 nan 0.000 0.420 436 E N 1.122 121.356 120.200 0.056 0.000 2.502 436 E HA -0.147 4.216 4.350 0.021 0.000 0.194 436 E C 1.094 177.765 176.600 0.118 0.000 1.062 436 E CA -0.013 56.452 56.400 0.110 0.000 0.867 436 E CB 0.431 30.195 29.700 0.106 0.000 0.888 436 E HN 0.590 nan 8.360 nan 0.000 0.510 437 E N 1.533 121.791 120.200 0.097 0.000 1.987 437 E HA -0.183 4.179 4.350 0.021 0.000 0.214 437 E C 1.445 178.116 176.600 0.118 0.000 1.012 437 E CA 1.971 58.428 56.400 0.094 0.000 0.881 437 E CB -0.737 29.008 29.700 0.076 0.000 0.806 437 E HN 0.164 nan 8.360 nan 0.000 0.516 438 G N -0.431 108.450 108.800 0.135 0.000 2.961 438 G HA2 -0.147 3.826 3.960 0.021 0.000 0.150 438 G HA3 -0.147 3.826 3.960 0.021 0.000 0.150 438 G C 0.632 175.642 174.900 0.183 0.000 1.864 438 G CA 0.260 45.444 45.100 0.140 0.000 0.992 438 G HN 0.445 nan 8.290 nan 0.000 0.458 439 E N 0.475 120.809 120.200 0.223 0.000 2.438 439 E HA 0.328 4.690 4.350 0.021 0.000 0.192 439 E C 0.812 177.698 176.600 0.476 0.000 1.110 439 E CA 0.328 56.928 56.400 0.334 0.000 0.893 439 E CB -0.610 29.303 29.700 0.354 0.000 0.990 439 E HN 0.788 nan 8.360 nan 0.000 0.490 440 G N 1.203 110.238 108.800 0.392 0.000 2.692 440 G HA2 -0.241 3.731 3.960 0.021 0.000 0.686 440 G HA3 -0.241 3.731 3.960 0.021 0.000 0.686 440 G C -0.811 174.395 174.900 0.511 0.000 1.243 440 G CA -0.217 45.151 45.100 0.446 0.000 0.782 440 G HN 0.280 nan 8.290 nan 0.000 0.625 441 R N -0.629 119.973 120.500 0.170 0.000 2.634 441 R HA 0.594 4.946 4.340 0.021 0.000 0.263 441 R C -1.461 174.533 176.300 -0.509 0.000 1.060 441 R CA -0.825 55.247 56.100 -0.047 0.000 0.898 441 R CB 1.830 32.183 30.300 0.089 0.000 1.253 441 R HN 0.887 nan 8.270 nan 0.000 0.461 442 V N 5.555 125.105 119.914 -0.607 0.000 2.384 442 V HA 0.458 4.590 4.120 0.021 0.000 0.287 442 V C 0.274 176.220 176.094 -0.247 0.000 1.020 442 V CA -0.591 61.389 62.300 -0.533 0.000 0.850 442 V CB 1.256 32.696 31.823 -0.638 0.000 0.987 442 V HN 0.615 nan 8.190 nan 0.000 0.436 443 I N 2.699 123.151 120.570 -0.197 0.000 2.750 443 I HA 0.654 4.837 4.170 0.021 0.000 0.308 443 I C -0.802 175.234 176.117 -0.134 0.000 1.016 443 I CA -0.995 60.232 61.300 -0.121 0.000 1.098 443 I CB 1.977 39.939 38.000 -0.062 0.000 1.279 443 I HN 0.347 nan 8.210 nan 0.000 0.454 444 L N 4.496 125.652 121.223 -0.111 0.000 2.270 444 L HA 0.470 4.822 4.340 0.021 0.000 0.286 444 L C 0.883 177.719 176.870 -0.056 0.000 1.059 444 L CA -0.347 54.435 54.840 -0.097 0.000 0.839 444 L CB 0.801 42.798 42.059 -0.104 0.000 1.221 444 L HN 0.903 nan 8.230 nan 0.000 0.431 445 G N 2.637 111.403 108.800 -0.057 0.000 2.636 445 G HA2 0.033 4.005 3.960 0.021 0.000 0.246 445 G HA3 0.033 4.005 3.960 0.021 0.000 0.246 445 G C 0.204 175.096 174.900 -0.014 0.000 1.216 445 G CA -0.598 44.483 45.100 -0.033 0.000 0.854 445 G HN 0.590 nan 8.290 nan 0.000 0.572 446 N N 0.523 119.222 118.700 -0.000 0.000 2.305 446 N HA 0.059 4.811 4.740 0.021 0.000 0.232 446 N C -2.309 173.208 175.510 0.012 0.000 1.274 446 N CA -0.380 52.677 53.050 0.011 0.000 0.870 446 N CB 0.036 38.534 38.487 0.018 0.000 1.105 446 N HN 0.162 nan 8.380 nan 0.000 0.436 447 P HA -0.006 nan 4.420 nan 0.000 0.261 447 P C -0.498 176.819 177.300 0.029 0.000 1.183 447 P CA 0.397 63.515 63.100 0.030 0.000 0.761 447 P CB 0.369 32.096 31.700 0.046 0.000 0.785 448 S N 3.144 118.859 115.700 0.024 0.000 2.599 448 S HA 0.729 5.211 4.470 0.021 0.000 0.294 448 S C -2.990 171.626 174.600 0.027 0.000 1.094 448 S CA -2.348 55.865 58.200 0.022 0.000 0.931 448 S CB 1.320 64.526 63.200 0.009 0.000 1.093 448 S HN 0.066 nan 8.310 nan 0.000 0.488 449 P HA 0.189 nan 4.420 nan 0.000 0.266 449 P C -0.064 177.245 177.300 0.015 0.000 1.195 449 P CA -0.301 62.816 63.100 0.028 0.000 0.768 449 P CB 0.113 31.828 31.700 0.025 0.000 0.838 450 I N -0.480 120.095 120.570 0.008 0.000 3.021 450 I HA 0.413 4.596 4.170 0.021 0.000 0.303 450 I C 0.573 176.672 176.117 -0.030 0.000 1.044 450 I CA -0.685 60.608 61.300 -0.013 0.000 1.266 450 I CB 0.667 38.650 38.000 -0.028 0.000 1.447 450 I HN 0.265 nan 8.210 nan 0.000 0.593 451 T N 0.252 114.784 114.554 -0.036 0.000 2.788 451 T HA 0.137 4.499 4.350 0.021 0.000 0.287 451 T C 1.276 175.914 174.700 -0.103 0.000 1.007 451 T CA -0.126 61.948 62.100 -0.044 0.000 1.005 451 T CB 1.202 70.062 68.868 -0.012 0.000 1.012 451 T HN 0.860 nan 8.240 nan 0.000 0.530 452 S N 0.834 116.464 115.700 -0.118 0.000 2.382 452 S HA -0.087 4.396 4.470 0.021 0.000 0.228 452 S C 2.401 176.874 174.600 -0.211 0.000 1.027 452 S CA 0.682 58.768 58.200 -0.190 0.000 0.991 452 S CB -1.234 61.861 63.200 -0.174 0.000 0.823 452 S HN 1.033 nan 8.310 nan 0.000 0.469 453 A N 1.846 124.570 122.820 -0.160 0.000 1.883 453 A HA -0.036 4.297 4.320 0.021 0.000 0.217 453 A C 2.502 179.931 177.584 -0.257 0.000 1.186 453 A CA 2.017 53.934 52.037 -0.201 0.000 0.624 453 A CB -1.336 17.586 19.000 -0.130 0.000 0.822 453 A HN 0.558 nan 8.150 nan 0.000 0.444 454 S N -0.371 115.208 115.700 -0.202 0.000 2.368 454 S HA -0.011 4.471 4.470 0.021 0.000 0.225 454 S C 2.311 176.750 174.600 -0.267 0.000 1.030 454 S CA 1.145 59.212 58.200 -0.221 0.000 0.999 454 S CB -0.455 62.655 63.200 -0.151 0.000 0.844 454 S HN 0.799 nan 8.310 nan 0.000 0.459 455 A N 1.572 124.245 122.820 -0.245 0.000 1.902 455 A HA 0.089 4.422 4.320 0.021 0.000 0.217 455 A C 2.350 179.707 177.584 -0.377 0.000 1.181 455 A CA 1.720 53.599 52.037 -0.264 0.000 0.623 455 A CB -1.080 17.757 19.000 -0.271 0.000 0.818 455 A HN 0.513 nan 8.150 nan 0.000 0.443 456 A N -1.166 121.423 122.820 -0.386 0.000 1.902 456 A HA -0.189 4.144 4.320 0.021 0.000 0.217 456 A C 2.132 179.516 177.584 -0.334 0.000 1.181 456 A CA 1.653 53.460 52.037 -0.383 0.000 0.623 456 A CB -0.450 18.360 19.000 -0.316 0.000 0.818 456 A HN 0.510 nan 8.150 nan 0.000 0.443 457 Q N -0.414 119.188 119.800 -0.329 0.000 2.119 457 Q HA -0.114 4.239 4.340 0.021 0.000 0.201 457 Q C 2.267 178.127 176.000 -0.233 0.000 0.972 457 Q CA 1.330 56.964 55.803 -0.282 0.000 0.847 457 Q CB -0.309 28.235 28.738 -0.323 0.000 0.903 457 Q HN 0.696 nan 8.270 nan 0.000 0.433 458 R N 0.296 120.589 120.500 -0.345 0.000 2.070 458 R HA -0.091 4.261 4.340 0.021 0.000 0.233 458 R C 2.424 178.674 176.300 -0.084 0.000 1.137 458 R CA 1.384 57.237 56.100 -0.412 0.000 0.945 458 R CB -0.303 29.593 30.300 -0.674 0.000 0.845 458 R HN 0.126 nan 8.270 nan 0.000 0.430 459 R N 0.341 120.654 120.500 -0.311 0.000 2.105 459 R HA -0.114 4.238 4.340 0.021 0.000 0.239 459 R C 2.024 178.203 176.300 -0.202 0.000 1.135 459 R CA 1.740 57.522 56.100 -0.530 0.000 0.967 459 R CB -0.459 29.140 30.300 -1.169 0.000 0.861 459 R HN 0.332 nan 8.270 nan 0.000 0.442 460 G N 0.235 108.934 108.800 -0.169 0.000 2.625 460 G HA2 -0.163 3.810 3.960 0.021 0.000 0.214 460 G HA3 -0.163 3.810 3.960 0.021 0.000 0.214 460 G C 1.088 175.988 174.900 0.000 0.000 1.132 460 G CA -0.170 44.881 45.100 -0.082 0.000 0.782 460 G HN 0.187 nan 8.290 nan 0.000 0.538 461 R N 0.092 120.626 120.500 0.058 0.000 2.152 461 R HA -0.013 4.339 4.340 0.021 0.000 0.232 461 R C 1.479 177.846 176.300 0.113 0.000 1.117 461 R CA 0.859 57.026 56.100 0.111 0.000 0.981 461 R CB -1.114 29.319 30.300 0.222 0.000 0.870 461 R HN 0.482 nan 8.270 nan 0.000 0.451 462 V N -4.900 115.079 119.914 0.108 0.000 3.177 462 V HA 0.814 4.947 4.120 0.021 0.000 0.319 462 V C 1.072 177.197 176.094 0.053 0.000 1.125 462 V CA -0.355 62.008 62.300 0.104 0.000 1.029 462 V CB 1.277 33.189 31.823 0.148 0.000 1.119 462 V HN 0.384 nan 8.190 nan 0.000 0.452 463 G N 0.951 109.778 108.800 0.046 0.000 2.143 463 G HA2 -0.258 3.714 3.960 0.021 0.000 0.248 463 G HA3 -0.258 3.714 3.960 0.021 0.000 0.248 463 G C 0.719 175.627 174.900 0.014 0.000 0.991 463 G CA 0.774 45.879 45.100 0.008 0.000 0.689 463 G HN 0.887 nan 8.290 nan 0.000 0.522 464 R N -0.470 120.053 120.500 0.038 0.000 2.280 464 R HA 0.098 4.451 4.340 0.021 0.000 0.195 464 R C 0.703 177.030 176.300 0.046 0.000 0.935 464 R CA 0.466 56.596 56.100 0.049 0.000 1.033 464 R CB 0.181 30.513 30.300 0.053 0.000 0.964 464 R HN 0.294 nan 8.270 nan 0.000 0.489 465 N N 1.084 119.807 118.700 0.037 0.000 2.476 465 N HA 0.120 4.872 4.740 0.021 0.000 0.257 465 N C -2.033 173.491 175.510 0.023 0.000 0.970 465 N CA -2.492 50.577 53.050 0.033 0.000 0.938 465 N CB 1.690 40.197 38.487 0.034 0.000 1.144 465 N HN -0.194 nan 8.380 nan 0.000 0.500 466 P HA -0.021 nan 4.420 nan 0.000 0.226 466 P C -0.104 177.201 177.300 0.008 0.000 1.153 466 P CA 0.982 64.090 63.100 0.014 0.000 0.777 466 P CB 0.391 32.102 31.700 0.019 0.000 0.794 467 N N -0.904 117.803 118.700 0.012 0.000 2.322 467 N HA 0.015 4.767 4.740 0.021 0.000 0.194 467 N C 0.605 176.121 175.510 0.010 0.000 1.126 467 N CA -0.030 53.025 53.050 0.009 0.000 0.845 467 N CB 0.100 38.593 38.487 0.010 0.000 0.976 467 N HN 0.219 nan 8.380 nan 0.000 0.475 468 Q N 1.781 121.588 119.800 0.012 0.000 2.381 468 Q HA 0.316 4.668 4.340 0.021 0.000 0.263 468 Q C -0.943 175.064 176.000 0.012 0.000 1.030 468 Q CA -0.715 55.098 55.803 0.017 0.000 0.772 468 Q CB 1.018 29.772 28.738 0.027 0.000 1.232 468 Q HN 0.059 nan 8.270 nan 0.000 0.476 469 V N 0.824 120.744 119.914 0.010 0.000 2.837 469 V HA 0.907 5.040 4.120 0.021 0.000 0.310 469 V C 0.856 176.962 176.094 0.019 0.000 1.059 469 V CA 0.415 62.712 62.300 -0.005 0.000 1.004 469 V CB 1.215 33.034 31.823 -0.007 0.000 1.045 469 V HN 0.981 nan 8.190 nan 0.000 0.465 470 G N 1.039 109.827 108.800 -0.021 0.000 2.157 470 G HA2 -0.184 3.789 3.960 0.021 0.000 0.239 470 G HA3 -0.184 3.789 3.960 0.021 0.000 0.239 470 G C -0.189 174.801 174.900 0.150 0.000 0.982 470 G CA 0.149 45.301 45.100 0.087 0.000 0.650 470 G HN 0.940 nan 8.290 nan 0.000 0.527 471 D N 1.019 121.460 120.400 0.068 0.000 2.400 471 D HA 0.469 5.121 4.640 0.021 0.000 0.238 471 D C 0.730 177.120 176.300 0.149 0.000 1.157 471 D CA 0.648 54.727 54.000 0.130 0.000 0.889 471 D CB 0.616 41.472 40.800 0.095 0.000 1.199 471 D HN 0.564 nan 8.370 nan 0.000 0.436 472 E N -0.007 120.304 120.200 0.186 0.000 2.266 472 E HA 0.323 4.685 4.350 0.021 0.000 0.268 472 E C -1.265 175.448 176.600 0.188 0.000 0.879 472 E CA -0.904 55.584 56.400 0.147 0.000 0.762 472 E CB 2.246 32.022 29.700 0.127 0.000 1.199 472 E HN 0.331 nan 8.360 nan 0.000 0.422 473 Y N 2.065 122.346 120.300 -0.031 0.000 2.332 473 Y HA 0.343 4.914 4.550 0.034 0.000 0.326 473 Y C -1.518 174.367 175.900 -0.024 0.000 0.978 473 Y CA -0.705 57.438 58.100 0.072 0.000 1.205 473 Y CB 0.630 39.172 38.460 0.137 0.000 1.131 473 Y HN 0.566 nan 8.280 nan 0.000 0.462 474 H N 5.819 124.682 119.070 -0.345 0.000 2.467 474 H HA 0.438 5.007 4.556 0.021 0.000 0.326 474 H C -1.245 173.775 175.328 -0.513 0.000 1.094 474 H CA -0.274 55.519 56.048 -0.425 0.000 1.253 474 H CB 0.784 30.328 29.762 -0.364 0.000 1.439 474 H HN 0.630 nan 8.280 nan 0.000 0.479 475 Y N -0.807 119.243 120.300 -0.417 0.000 2.512 475 Y HA 0.620 5.186 4.550 0.028 0.000 0.348 475 Y C 0.404 176.238 175.900 -0.110 0.000 0.990 475 Y CA -1.494 56.415 58.100 -0.317 0.000 1.033 475 Y CB 1.430 39.694 38.460 -0.327 0.000 1.259 475 Y HN 0.635 nan 8.280 nan 0.000 0.461 476 G N 0.361 109.208 108.800 0.078 0.000 3.774 476 G HA2 0.541 4.514 3.960 0.021 0.000 0.287 476 G HA3 0.541 4.514 3.960 0.021 0.000 0.287 476 G C -0.073 174.886 174.900 0.098 0.000 1.030 476 G CA -0.068 45.054 45.100 0.037 0.000 0.824 476 G HN 1.322 nan 8.290 nan 0.000 0.518 477 G N -1.286 107.628 108.800 0.190 0.000 2.322 477 G HA2 0.620 4.593 3.960 0.021 0.000 0.295 477 G HA3 0.620 4.593 3.960 0.021 0.000 0.295 477 G C -0.873 174.142 174.900 0.192 0.000 1.369 477 G CA 0.024 45.218 45.100 0.157 0.000 0.821 477 G HN 0.755 nan 8.290 nan 0.000 0.536 478 A N -0.362 122.532 122.820 0.123 0.000 2.304 478 A HA 0.829 5.161 4.320 0.021 0.000 0.271 478 A C 1.055 178.662 177.584 0.040 0.000 1.091 478 A CA 0.699 52.791 52.037 0.091 0.000 0.812 478 A CB 0.219 19.260 19.000 0.069 0.000 1.056 478 A HN 2.065 nan 8.150 nan 0.000 0.489 479 T N -1.092 113.457 114.554 -0.009 0.000 2.874 479 T HA 0.618 4.980 4.350 0.021 0.000 0.281 479 T C 0.120 174.810 174.700 -0.017 0.000 0.994 479 T CA -0.034 62.044 62.100 -0.037 0.000 1.015 479 T CB 1.242 70.049 68.868 -0.103 0.000 1.028 479 T HN 1.162 nan 8.240 nan 0.000 0.523 480 S N -0.438 115.254 115.700 -0.015 0.000 2.536 480 S HA 0.411 4.893 4.470 0.021 0.000 0.271 480 S C -0.236 174.363 174.600 -0.001 0.000 1.134 480 S CA -0.715 57.483 58.200 -0.004 0.000 0.897 480 S CB 1.693 64.898 63.200 0.009 0.000 1.094 480 S HN 0.722 nan 8.310 nan 0.000 0.473 481 E N 1.745 121.943 120.200 -0.003 0.000 2.498 481 E HA 0.126 4.489 4.350 0.021 0.000 0.203 481 E C -0.586 176.014 176.600 0.001 0.000 1.013 481 E CA 0.057 56.459 56.400 0.003 0.000 0.927 481 E CB 0.133 29.822 29.700 -0.018 0.000 1.012 481 E HN 0.676 nan 8.360 nan 0.000 0.482 482 D N 2.412 122.813 120.400 0.002 0.000 2.470 482 D HA 0.033 4.685 4.640 0.021 0.000 0.226 482 D C -0.471 175.844 176.300 0.025 0.000 1.196 482 D CA -0.033 53.966 54.000 -0.003 0.000 0.979 482 D CB -0.023 40.776 40.800 -0.002 0.000 1.059 482 D HN -0.093 nan 8.370 nan 0.000 0.515 483 D N 0.215 120.645 120.400 0.049 0.000 2.785 483 D HA 0.049 4.702 4.640 0.021 0.000 0.324 483 D C 0.749 177.178 176.300 0.215 0.000 1.523 483 D CA -0.376 53.705 54.000 0.134 0.000 0.789 483 D CB -0.316 40.609 40.800 0.209 0.000 1.171 483 D HN 0.069 nan 8.370 nan 0.000 0.447 484 S N 0.981 116.710 115.700 0.048 0.000 2.419 484 S HA -0.176 4.307 4.470 0.021 0.000 0.235 484 S C 1.605 176.295 174.600 0.150 0.000 1.019 484 S CA 1.419 59.619 58.200 0.000 0.000 0.982 484 S CB -0.333 62.807 63.200 -0.099 0.000 0.789 484 S HN 0.619 nan 8.310 nan 0.000 0.490 485 N N 1.516 120.278 118.700 0.103 0.000 2.461 485 N HA 0.024 4.776 4.740 0.021 0.000 0.188 485 N C 0.155 175.682 175.510 0.027 0.000 1.134 485 N CA 0.047 53.133 53.050 0.060 0.000 0.878 485 N CB -0.719 37.777 38.487 0.015 0.000 0.972 485 N HN 0.337 nan 8.380 nan 0.000 0.456 486 L N 0.624 121.891 121.223 0.073 0.000 2.525 486 L HA 0.054 4.407 4.340 0.021 0.000 0.278 486 L C 1.636 178.417 176.870 -0.148 0.000 1.218 486 L CA -0.201 54.575 54.840 -0.108 0.000 0.878 486 L CB 0.373 42.326 42.059 -0.176 0.000 1.127 486 L HN 0.165 nan 8.230 nan 0.000 0.492 487 A N 2.785 125.441 122.820 -0.273 0.000 1.940 487 A HA -0.210 4.123 4.320 0.021 0.000 0.219 487 A C 1.949 179.483 177.584 -0.083 0.000 1.176 487 A CA 1.607 53.530 52.037 -0.190 0.000 0.631 487 A CB -0.862 18.012 19.000 -0.209 0.000 0.814 487 A HN 0.948 nan 8.150 nan 0.000 0.446 488 H N -2.711 116.205 119.070 -0.257 0.000 2.456 488 H HA -0.201 4.366 4.556 0.019 0.000 0.296 488 H C 1.888 177.035 175.328 -0.302 0.000 1.079 488 H CA 1.181 57.032 56.048 -0.328 0.000 1.322 488 H CB -0.120 29.366 29.762 -0.460 0.000 1.388 488 H HN 0.782 nan 8.280 nan 0.000 0.538 489 W N 0.618 121.958 121.300 0.065 0.000 2.379 489 W HA -0.126 4.541 4.660 0.011 0.000 0.307 489 W C 2.593 179.115 176.519 0.004 0.000 1.200 489 W CA 0.971 58.327 57.345 0.019 0.000 1.297 489 W CB -0.481 28.966 29.460 -0.020 0.000 1.140 489 W HN -0.044 nan 8.180 nan 0.000 0.507 490 T N 0.427 115.103 114.554 0.203 0.000 2.746 490 T HA -0.193 4.169 4.350 0.021 0.000 0.267 490 T C 1.356 176.013 174.700 -0.071 0.000 1.039 490 T CA 1.706 63.842 62.100 0.060 0.000 1.142 490 T CB -0.309 68.576 68.868 0.028 0.000 0.866 490 T HN 0.223 nan 8.240 nan 0.000 0.444 491 E N 0.969 121.161 120.200 -0.014 0.000 2.110 491 E HA -0.051 4.311 4.350 0.021 0.000 0.193 491 E C 2.543 179.128 176.600 -0.025 0.000 0.988 491 E CA 0.899 57.282 56.400 -0.029 0.000 0.804 491 E CB -0.192 29.533 29.700 0.042 0.000 0.745 491 E HN 0.470 nan 8.360 nan 0.000 0.458 492 A N 1.768 124.598 122.820 0.017 0.000 1.902 492 A HA -0.193 4.140 4.320 0.021 0.000 0.217 492 A C 1.986 179.609 177.584 0.064 0.000 1.181 492 A CA 1.218 53.282 52.037 0.045 0.000 0.623 492 A CB -0.166 18.890 19.000 0.094 0.000 0.818 492 A HN -0.023 nan 8.150 nan 0.000 0.443 493 K N -0.253 120.197 120.400 0.082 0.000 2.097 493 K HA 0.010 4.342 4.320 0.021 0.000 0.205 493 K C 1.829 178.484 176.600 0.092 0.000 1.050 493 K CA 1.070 57.434 56.287 0.129 0.000 0.938 493 K CB -0.512 32.129 32.500 0.235 0.000 0.718 493 K HN 0.608 nan 8.250 nan 0.000 0.442 494 I N 0.961 121.452 120.570 -0.132 0.000 2.208 494 I HA -0.303 3.879 4.170 0.021 0.000 0.245 494 I C 2.477 178.550 176.117 -0.073 0.000 1.097 494 I CA 1.337 62.466 61.300 -0.285 0.000 1.363 494 I CB -0.231 37.429 38.000 -0.566 0.000 1.051 494 I HN 0.114 nan 8.210 nan 0.000 0.413 495 M N -0.132 119.469 119.600 0.002 0.000 2.099 495 M HA -0.194 4.299 4.480 0.021 0.000 0.262 495 M C 2.383 178.718 176.300 0.057 0.000 1.067 495 M CA 1.811 57.145 55.300 0.057 0.000 1.124 495 M CB -0.429 32.187 32.600 0.026 0.000 1.353 495 M HN 0.196 nan 8.290 nan 0.000 0.410 496 L N 0.167 121.430 121.223 0.065 0.000 2.042 496 L HA -0.260 4.092 4.340 0.021 0.000 0.210 496 L C 1.834 178.760 176.870 0.093 0.000 1.076 496 L CA 1.108 56.002 54.840 0.089 0.000 0.749 496 L CB -0.721 41.402 42.059 0.105 0.000 0.893 496 L HN 0.291 nan 8.230 nan 0.000 0.432 497 D N -0.314 120.139 120.400 0.088 0.000 2.309 497 D HA -0.130 4.523 4.640 0.021 0.000 0.212 497 D C 1.384 177.726 176.300 0.069 0.000 0.968 497 D CA 0.871 54.919 54.000 0.081 0.000 0.882 497 D CB -0.111 40.746 40.800 0.096 0.000 0.918 497 D HN 0.279 nan 8.370 nan 0.000 0.503 498 N N 0.010 118.748 118.700 0.065 0.000 2.238 498 N HA 0.125 4.877 4.740 0.021 0.000 0.222 498 N C -0.251 175.316 175.510 0.094 0.000 1.133 498 N CA -0.024 53.068 53.050 0.070 0.000 0.854 498 N CB 1.324 39.850 38.487 0.065 0.000 1.041 498 N HN 0.200 nan 8.380 nan 0.000 0.510 499 I N 1.572 122.201 120.570 0.099 0.000 2.330 499 I HA 0.069 4.252 4.170 0.021 0.000 0.286 499 I C 0.140 176.355 176.117 0.164 0.000 1.025 499 I CA -0.747 60.612 61.300 0.099 0.000 1.197 499 I CB 0.481 38.520 38.000 0.064 0.000 1.358 499 I HN -0.018 nan 8.210 nan 0.000 0.467 500 H N 8.016 127.122 119.070 0.060 0.000 2.848 500 H HA 0.303 4.872 4.556 0.021 0.000 0.341 500 H C -0.578 174.807 175.328 0.095 0.000 1.060 500 H CA 0.264 56.351 56.048 0.066 0.000 1.444 500 H CB 0.679 30.471 29.762 0.050 0.000 1.446 500 H HN 0.355 nan 8.280 nan 0.000 0.583 501 M N 6.063 125.524 119.600 -0.233 0.000 2.705 501 M HA 0.233 4.726 4.480 0.021 0.000 0.311 501 M C -1.591 174.429 176.300 -0.467 0.000 1.214 501 M CA -2.521 52.647 55.300 -0.221 0.000 0.920 501 M CB 0.988 33.571 32.600 -0.029 0.000 1.687 501 M HN 0.457 nan 8.290 nan 0.000 0.481 502 P HA -0.081 nan 4.420 nan 0.000 0.217 502 P C 0.574 177.832 177.300 -0.071 0.000 1.151 502 P CA 1.251 64.257 63.100 -0.157 0.000 0.828 502 P CB -0.080 31.578 31.700 -0.069 0.000 0.788 503 N N -0.385 118.290 118.700 -0.042 0.000 2.485 503 N HA 0.038 4.790 4.740 0.021 0.000 0.199 503 N C 1.241 176.766 175.510 0.024 0.000 1.236 503 N CA 0.776 53.824 53.050 -0.004 0.000 0.852 503 N CB -1.492 36.992 38.487 -0.004 0.000 1.018 503 N HN 0.181 nan 8.380 nan 0.000 0.457 504 G N -0.812 108.019 108.800 0.051 0.000 2.205 504 G HA2 -0.325 3.647 3.960 0.021 0.000 0.269 504 G HA3 -0.325 3.647 3.960 0.021 0.000 0.269 504 G C -0.173 174.783 174.900 0.094 0.000 0.977 504 G CA 0.821 45.989 45.100 0.114 0.000 0.652 504 G HN 0.466 nan 8.290 nan 0.000 0.539 505 L N -0.031 121.226 121.223 0.057 0.000 2.387 505 L HA 0.733 5.085 4.340 0.021 0.000 0.266 505 L C 0.546 177.455 176.870 0.065 0.000 1.059 505 L CA -0.758 54.112 54.840 0.050 0.000 0.801 505 L CB 1.928 44.004 42.059 0.028 0.000 1.223 505 L HN -0.005 nan 8.230 nan 0.000 0.456 506 V N 2.562 122.512 119.914 0.061 0.000 2.427 506 V HA 0.617 4.750 4.120 0.021 0.000 0.286 506 V C 0.407 176.541 176.094 0.067 0.000 1.034 506 V CA -0.863 61.481 62.300 0.074 0.000 0.893 506 V CB 1.084 32.945 31.823 0.063 0.000 0.982 506 V HN 0.916 nan 8.190 nan 0.000 0.452 507 A N 4.840 127.712 122.820 0.087 0.000 2.406 507 A HA 0.493 4.825 4.320 0.021 0.000 0.243 507 A C 0.024 177.657 177.584 0.081 0.000 1.082 507 A CA -0.047 52.038 52.037 0.081 0.000 0.786 507 A CB 0.291 19.366 19.000 0.126 0.000 1.029 507 A HN 0.864 nan 8.150 nan 0.000 0.495 508 Q N -0.274 119.570 119.800 0.074 0.000 2.416 508 Q HA 0.552 4.904 4.340 0.021 0.000 0.279 508 Q C -0.884 175.176 176.000 0.101 0.000 1.101 508 Q CA -0.892 54.959 55.803 0.079 0.000 0.830 508 Q CB 1.737 30.513 28.738 0.063 0.000 1.402 508 Q HN 0.695 nan 8.270 nan 0.000 0.445 509 L N 1.314 122.599 121.223 0.104 0.000 2.499 509 L HA -0.014 4.339 4.340 0.021 0.000 0.281 509 L C 0.134 177.107 176.870 0.171 0.000 1.234 509 L CA -0.136 54.788 54.840 0.140 0.000 0.839 509 L CB -0.225 41.899 42.059 0.109 0.000 1.104 509 L HN 0.607 nan 8.230 nan 0.000 0.500 510 Y N 1.576 121.927 120.300 0.085 0.000 2.811 510 Y HA -0.029 4.529 4.550 0.013 0.000 0.334 510 Y C 1.307 177.244 175.900 0.063 0.000 1.247 510 Y CA 0.182 58.341 58.100 0.098 0.000 1.526 510 Y CB 0.822 39.389 38.460 0.179 0.000 1.284 510 Y HN 0.706 nan 8.280 nan 0.000 0.586 511 G N 5.942 114.588 108.800 -0.256 0.000 2.681 511 G HA2 -0.300 3.673 3.960 0.021 0.000 0.220 511 G HA3 -0.300 3.673 3.960 0.021 0.000 0.220 511 G C -0.730 173.973 174.900 -0.329 0.000 1.210 511 G CA 1.012 45.945 45.100 -0.278 0.000 0.783 511 G HN 0.668 nan 8.290 nan 0.000 0.609 512 P HA 0.048 nan 4.420 nan 0.000 0.228 512 P C 1.163 178.325 177.300 -0.231 0.000 1.151 512 P CA 1.041 63.948 63.100 -0.321 0.000 0.770 512 P CB 0.104 31.615 31.700 -0.315 0.000 0.786 513 E N -1.314 118.766 120.200 -0.200 0.000 2.476 513 E HA 0.121 4.483 4.350 0.021 0.000 0.199 513 E C 1.792 178.238 176.600 -0.257 0.000 1.021 513 E CA -0.160 56.135 56.400 -0.176 0.000 0.907 513 E CB 0.023 29.779 29.700 0.094 0.000 0.974 513 E HN 0.199 nan 8.360 nan 0.000 0.489 514 R N 1.237 121.617 120.500 -0.199 0.000 2.120 514 R HA -0.094 4.258 4.340 0.021 0.000 0.234 514 R C 1.621 177.647 176.300 -0.456 0.000 1.123 514 R CA 1.004 56.983 56.100 -0.201 0.000 0.975 514 R CB 0.016 30.274 30.300 -0.071 0.000 0.866 514 R HN 0.182 nan 8.270 nan 0.000 0.446 515 E N 0.316 120.234 120.200 -0.471 0.000 2.478 515 E HA -0.096 4.267 4.350 0.021 0.000 0.198 515 E C 1.295 177.386 176.600 -0.848 0.000 1.046 515 E CA 0.362 56.333 56.400 -0.715 0.000 0.870 515 E CB 0.229 29.773 29.700 -0.261 0.000 0.818 515 E HN 0.164 nan 8.360 nan 0.000 0.527 516 K N 0.229 120.150 120.400 -0.799 0.000 2.283 516 K HA 0.023 4.355 4.320 0.021 0.000 0.202 516 K C 0.536 176.759 176.600 -0.628 0.000 1.048 516 K CA 0.371 56.103 56.287 -0.925 0.000 0.948 516 K CB 0.489 31.942 32.500 -1.746 0.000 0.742 516 K HN 0.020 nan 8.250 nan 0.000 0.458 517 A N 0.687 123.171 122.820 -0.560 0.000 2.518 517 A HA 0.484 4.817 4.320 0.021 0.000 0.295 517 A C -1.557 175.847 177.584 -0.300 0.000 1.052 517 A CA -0.790 51.066 52.037 -0.303 0.000 0.824 517 A CB 0.275 19.245 19.000 -0.049 0.000 1.325 517 A HN 0.017 nan 8.150 nan 0.000 0.394 518 F N 2.366 122.306 119.950 -0.017 0.000 2.391 518 F HA 0.617 5.158 4.527 0.024 0.000 0.359 518 F C 1.137 176.930 175.800 -0.012 0.000 1.122 518 F CA 0.352 58.340 58.000 -0.019 0.000 1.120 518 F CB 1.982 40.963 39.000 -0.032 0.000 1.142 518 F HN 0.625 nan 8.300 nan 0.000 0.483 519 T N 0.439 115.087 114.554 0.157 0.000 2.901 519 T HA 0.561 4.923 4.350 0.021 0.000 0.293 519 T C -0.393 174.314 174.700 0.012 0.000 1.084 519 T CA -1.129 60.993 62.100 0.038 0.000 1.008 519 T CB 1.573 70.388 68.868 -0.088 0.000 1.170 519 T HN 0.387 nan 8.240 nan 0.000 0.509 520 M N 2.738 122.309 119.600 -0.049 0.000 2.268 520 M HA 0.263 4.755 4.480 0.021 0.000 0.349 520 M C -0.673 175.590 176.300 -0.062 0.000 1.485 520 M CA -0.237 55.036 55.300 -0.045 0.000 1.094 520 M CB -0.720 31.844 32.600 -0.059 0.000 1.843 520 M HN 0.513 nan 8.290 nan 0.000 0.460 521 D N 4.341 124.731 120.400 -0.018 0.000 2.525 521 D HA 0.326 4.978 4.640 0.021 0.000 0.235 521 D C 1.206 177.489 176.300 -0.028 0.000 1.137 521 D CA 1.741 55.736 54.000 -0.007 0.000 0.868 521 D CB 0.449 41.263 40.800 0.022 0.000 1.180 521 D HN 0.935 nan 8.370 nan 0.000 0.465 522 G N 2.553 111.335 108.800 -0.029 0.000 2.213 522 G HA2 -0.367 3.605 3.960 0.021 0.000 0.236 522 G HA3 -0.367 3.605 3.960 0.021 0.000 0.236 522 G C 1.053 175.906 174.900 -0.079 0.000 0.991 522 G CA 0.592 45.676 45.100 -0.027 0.000 0.629 522 G HN 0.574 nan 8.290 nan 0.000 0.517 523 E N -0.443 119.643 120.200 -0.191 0.000 2.130 523 E HA -0.167 4.196 4.350 0.021 0.000 0.196 523 E C 1.632 178.063 176.600 -0.281 0.000 0.998 523 E CA 1.670 57.880 56.400 -0.317 0.000 0.806 523 E CB -0.174 29.176 29.700 -0.583 0.000 0.738 523 E HN 0.686 nan 8.360 nan 0.000 0.459 524 Y N 0.039 120.297 120.300 -0.070 0.000 2.468 524 Y HA 0.260 4.822 4.550 0.020 0.000 0.268 524 Y C 0.598 176.464 175.900 -0.055 0.000 1.177 524 Y CA -0.255 57.762 58.100 -0.140 0.000 1.265 524 Y CB -0.017 38.206 38.460 -0.395 0.000 1.103 524 Y HN -0.112 nan 8.280 nan 0.000 0.522 525 R N 1.492 122.034 120.500 0.071 0.000 2.489 525 R HA 0.258 4.611 4.340 0.021 0.000 0.287 525 R C -0.863 175.450 176.300 0.021 0.000 1.053 525 R CA 0.091 56.211 56.100 0.033 0.000 1.036 525 R CB 0.171 30.482 30.300 0.017 0.000 0.966 525 R HN 0.214 nan 8.270 nan 0.000 0.432 526 L N 4.501 125.711 121.223 -0.023 0.000 2.334 526 L HA 0.611 4.963 4.340 0.021 0.000 0.270 526 L C 0.407 177.260 176.870 -0.029 0.000 1.018 526 L CA -0.979 53.830 54.840 -0.051 0.000 0.811 526 L CB 1.751 43.737 42.059 -0.122 0.000 1.271 526 L HN 0.642 nan 8.230 nan 0.000 0.443 527 R N 0.027 120.509 120.500 -0.029 0.000 2.867 527 R HA 0.577 4.930 4.340 0.021 0.000 0.268 527 R C 0.185 176.478 176.300 -0.013 0.000 1.014 527 R CA -0.134 55.953 56.100 -0.022 0.000 0.946 527 R CB 1.764 32.047 30.300 -0.029 0.000 1.208 527 R HN 0.809 nan 8.270 nan 0.000 0.477 528 G N 1.470 110.265 108.800 -0.008 0.000 2.685 528 G HA2 -0.384 3.588 3.960 0.021 0.000 0.329 528 G HA3 -0.384 3.588 3.960 0.021 0.000 0.329 528 G C 0.711 175.617 174.900 0.011 0.000 1.271 528 G CA 0.683 45.783 45.100 0.000 0.000 1.003 528 G HN 0.621 nan 8.290 nan 0.000 0.549 529 E N 1.023 121.229 120.200 0.011 0.000 2.152 529 E HA -0.022 4.341 4.350 0.021 0.000 0.192 529 E C 2.521 179.137 176.600 0.026 0.000 0.983 529 E CA 1.391 57.805 56.400 0.022 0.000 0.818 529 E CB -0.293 29.421 29.700 0.022 0.000 0.758 529 E HN 0.783 nan 8.360 nan 0.000 0.467 530 E N 0.653 120.855 120.200 0.004 0.000 2.106 530 E HA -0.181 4.182 4.350 0.021 0.000 0.192 530 E C 2.005 178.624 176.600 0.031 0.000 0.984 530 E CA 1.021 57.413 56.400 -0.013 0.000 0.806 530 E CB 0.011 29.669 29.700 -0.071 0.000 0.750 530 E HN -0.044 nan 8.360 nan 0.000 0.458 531 K N 1.810 122.233 120.400 0.039 0.000 2.057 531 K HA -0.136 4.196 4.320 0.021 0.000 0.206 531 K C 1.760 178.444 176.600 0.140 0.000 1.050 531 K CA 1.379 57.729 56.287 0.106 0.000 0.935 531 K CB 0.078 32.617 32.500 0.066 0.000 0.715 531 K HN -0.089 nan 8.250 nan 0.000 0.439 532 K N 0.104 120.550 120.400 0.077 0.000 2.063 532 K HA -0.133 4.200 4.320 0.021 0.000 0.208 532 K C 1.991 178.625 176.600 0.056 0.000 1.048 532 K CA 2.026 58.345 56.287 0.054 0.000 0.928 532 K CB -0.307 32.215 32.500 0.037 0.000 0.713 532 K HN 0.259 nan 8.250 nan 0.000 0.442 533 N N 0.222 118.977 118.700 0.091 0.000 2.120 533 N HA -0.161 4.591 4.740 0.021 0.000 0.188 533 N C 1.630 177.222 175.510 0.137 0.000 1.024 533 N CA 0.984 54.109 53.050 0.126 0.000 0.852 533 N CB -0.190 38.376 38.487 0.132 0.000 1.003 533 N HN 0.077 nan 8.380 nan 0.000 0.424 534 F N 1.758 121.695 119.950 -0.022 0.000 2.095 534 F HA -0.116 4.423 4.527 0.019 0.000 0.298 534 F C 1.705 177.487 175.800 -0.030 0.000 1.104 534 F CA 1.343 59.319 58.000 -0.040 0.000 1.232 534 F CB -0.458 38.513 39.000 -0.050 0.000 0.987 534 F HN -0.023 nan 8.300 nan 0.000 0.475 535 L N -0.228 120.902 121.223 -0.155 0.000 2.083 535 L HA -0.175 4.177 4.340 0.021 0.000 0.209 535 L C 2.410 179.138 176.870 -0.236 0.000 1.083 535 L CA 1.602 56.276 54.840 -0.276 0.000 0.752 535 L CB -0.749 41.250 42.059 -0.100 0.000 0.899 535 L HN 0.142 nan 8.230 nan 0.000 0.433 536 E N 0.664 120.741 120.200 -0.205 0.000 2.106 536 E HA -0.152 4.211 4.350 0.021 0.000 0.192 536 E C 2.183 178.606 176.600 -0.295 0.000 0.984 536 E CA 1.066 57.242 56.400 -0.373 0.000 0.806 536 E CB -0.189 29.149 29.700 -0.604 0.000 0.750 536 E HN 0.352 nan 8.360 nan 0.000 0.458 537 L N -0.145 121.064 121.223 -0.023 0.000 2.191 537 L HA -0.144 4.208 4.340 0.021 0.000 0.212 537 L C 2.272 179.155 176.870 0.021 0.000 1.103 537 L CA 0.715 55.672 54.840 0.194 0.000 0.769 537 L CB -0.280 41.892 42.059 0.189 0.000 0.908 537 L HN 0.196 nan 8.230 nan 0.000 0.438 538 L N -1.002 120.117 121.223 -0.173 0.000 2.049 538 L HA -0.094 4.258 4.340 0.021 0.000 0.203 538 L C 2.756 179.604 176.870 -0.036 0.000 1.074 538 L CA 1.143 55.877 54.840 -0.177 0.000 0.749 538 L CB -0.329 41.480 42.059 -0.417 0.000 0.907 538 L HN 0.163 nan 8.230 nan 0.000 0.439 539 R N -1.058 119.413 120.500 -0.049 0.000 2.100 539 R HA -0.008 4.345 4.340 0.021 0.000 0.220 539 R C 2.105 178.432 176.300 0.045 0.000 1.091 539 R CA 1.474 57.581 56.100 0.012 0.000 0.986 539 R CB -0.158 30.140 30.300 -0.003 0.000 0.888 539 R HN 0.319 nan 8.270 nan 0.000 0.444 540 T N 0.337 114.920 114.554 0.049 0.000 2.953 540 T HA 0.105 4.467 4.350 0.021 0.000 0.247 540 T C 1.812 176.742 174.700 0.383 0.000 1.029 540 T CA 0.868 63.070 62.100 0.169 0.000 1.144 540 T CB 0.093 69.008 68.868 0.079 0.000 0.870 540 T HN 0.230 nan 8.240 nan 0.000 0.446 541 A N 0.882 123.958 122.820 0.427 0.000 2.169 541 A HA 0.159 4.491 4.320 0.021 0.000 0.212 541 A C 0.972 178.863 177.584 0.512 0.000 1.153 541 A CA 0.468 52.819 52.037 0.523 0.000 0.756 541 A CB -0.374 18.854 19.000 0.380 0.000 0.813 541 A HN 0.395 nan 8.150 nan 0.000 0.471 542 D N -0.876 119.682 120.400 0.264 0.000 2.811 542 D HA -0.142 4.511 4.640 0.021 0.000 0.231 542 D C -0.211 176.114 176.300 0.042 0.000 1.157 542 D CA 0.576 54.618 54.000 0.070 0.000 0.716 542 D CB -1.441 39.273 40.800 -0.143 0.000 1.077 542 D HN 0.482 nan 8.370 nan 0.000 0.428 543 L N -0.184 121.075 121.223 0.059 0.000 2.467 543 L HA 0.231 4.584 4.340 0.021 0.000 0.270 543 L C -1.447 175.431 176.870 0.013 0.000 1.205 543 L CA -1.328 53.532 54.840 0.033 0.000 0.828 543 L CB -0.009 42.063 42.059 0.021 0.000 1.101 543 L HN -0.114 nan 8.230 nan 0.000 0.479 544 P HA -0.028 nan 4.420 nan 0.000 0.267 544 P C 0.904 178.255 177.300 0.086 0.000 1.200 544 P CA -0.229 62.903 63.100 0.053 0.000 0.772 544 P CB 0.630 32.387 31.700 0.095 0.000 0.855 545 V N 1.523 121.489 119.914 0.087 0.000 2.282 545 V HA -0.240 3.893 4.120 0.021 0.000 0.249 545 V C 1.842 178.062 176.094 0.211 0.000 1.057 545 V CA 1.962 64.343 62.300 0.135 0.000 1.032 545 V CB -1.309 30.577 31.823 0.105 0.000 0.645 545 V HN 0.735 nan 8.190 nan 0.000 0.447 546 W N 0.172 121.479 121.300 0.012 0.000 2.338 546 W HA -0.213 4.459 4.660 0.020 0.000 0.304 546 W C 2.172 178.686 176.519 -0.008 0.000 1.212 546 W CA 1.908 59.243 57.345 -0.017 0.000 1.264 546 W CB -0.328 29.107 29.460 -0.043 0.000 1.142 546 W HN 0.219 nan 8.180 nan 0.000 0.512 547 L N 1.331 122.626 121.223 0.121 0.000 2.072 547 L HA 0.044 4.396 4.340 0.021 0.000 0.205 547 L C 2.486 179.184 176.870 -0.287 0.000 1.079 547 L CA 2.533 57.288 54.840 -0.141 0.000 0.752 547 L CB -1.471 40.676 42.059 0.147 0.000 0.906 547 L HN 0.059 nan 8.230 nan 0.000 0.436 548 A N -1.281 121.496 122.820 -0.071 0.000 1.908 548 A HA -0.310 4.022 4.320 0.021 0.000 0.218 548 A C 2.313 179.926 177.584 0.048 0.000 1.181 548 A CA 1.985 54.021 52.037 -0.002 0.000 0.627 548 A CB -1.205 17.801 19.000 0.010 0.000 0.818 548 A HN 0.619 nan 8.150 nan 0.000 0.445 549 Y N 0.694 120.952 120.300 -0.070 0.000 2.163 549 Y HA -0.183 4.381 4.550 0.022 0.000 0.288 549 Y C 2.233 177.771 175.900 -0.603 0.000 1.136 549 Y CA 2.139 60.039 58.100 -0.335 0.000 1.147 549 Y CB -0.063 38.132 38.460 -0.442 0.000 0.987 549 Y HN 0.123 nan 8.280 nan 0.000 0.509 550 K N -0.081 119.760 120.400 -0.932 0.000 2.044 550 K HA -0.161 4.172 4.320 0.021 0.000 0.210 550 K C 2.180 177.906 176.600 -1.456 0.000 1.049 550 K CA 1.666 57.107 56.287 -1.411 0.000 0.927 550 K CB -1.115 30.179 32.500 -2.010 0.000 0.713 550 K HN 0.322 nan 8.250 nan 0.000 0.443 551 V N 1.474 120.672 119.914 -1.194 0.000 2.261 551 V HA -0.233 3.899 4.120 0.021 0.000 0.246 551 V C 2.521 178.300 176.094 -0.525 0.000 1.047 551 V CA 2.083 63.835 62.300 -0.913 0.000 1.015 551 V CB -0.841 30.497 31.823 -0.809 0.000 0.642 551 V HN 0.331 nan 8.190 nan 0.000 0.446 552 A N 0.622 123.198 122.820 -0.407 0.000 1.930 552 A HA -0.173 4.159 4.320 0.021 0.000 0.217 552 A C 2.491 179.868 177.584 -0.345 0.000 1.175 552 A CA 2.023 53.916 52.037 -0.240 0.000 0.627 552 A CB -0.721 18.246 19.000 -0.055 0.000 0.815 552 A HN 0.684 nan 8.150 nan 0.000 0.443 553 S N -0.141 115.191 115.700 -0.613 0.000 2.474 553 S HA -0.060 4.423 4.470 0.021 0.000 0.235 553 S C 1.185 175.561 174.600 -0.373 0.000 0.997 553 S CA 1.001 58.834 58.200 -0.611 0.000 0.949 553 S CB -0.502 62.052 63.200 -1.076 0.000 0.766 553 S HN 0.572 nan 8.310 nan 0.000 0.517 554 N N 1.247 119.743 118.700 -0.341 0.000 2.314 554 N HA 0.169 4.922 4.740 0.021 0.000 0.200 554 N C 1.033 176.509 175.510 -0.055 0.000 1.135 554 N CA 0.639 53.608 53.050 -0.137 0.000 0.835 554 N CB 0.424 38.899 38.487 -0.020 0.000 0.989 554 N HN 0.683 nan 8.380 nan 0.000 0.478 555 G N 1.420 110.166 108.800 -0.090 0.000 2.153 555 G HA2 -0.279 3.694 3.960 0.021 0.000 0.252 555 G HA3 -0.279 3.694 3.960 0.021 0.000 0.252 555 G C 0.162 175.067 174.900 0.010 0.000 0.994 555 G CA -0.136 44.944 45.100 -0.034 0.000 0.698 555 G HN 0.346 nan 8.290 nan 0.000 0.521 556 I N 1.012 121.587 120.570 0.008 0.000 2.496 556 I HA 0.164 4.346 4.170 0.021 0.000 0.285 556 I C 0.711 176.881 176.117 0.089 0.000 1.080 556 I CA -0.555 60.786 61.300 0.068 0.000 1.404 556 I CB 0.747 38.792 38.000 0.076 0.000 1.403 556 I HN 0.054 nan 8.210 nan 0.000 0.539 557 Q N 4.659 124.532 119.800 0.122 0.000 2.340 557 Q HA -0.015 4.337 4.340 0.021 0.000 0.249 557 Q C 0.589 176.716 176.000 0.212 0.000 0.957 557 Q CA -0.182 55.710 55.803 0.149 0.000 0.882 557 Q CB 0.618 29.428 28.738 0.120 0.000 1.235 557 Q HN 0.614 nan 8.270 nan 0.000 0.439 558 Y N 3.015 123.394 120.300 0.133 0.000 2.181 558 Y HA -0.308 4.254 4.550 0.021 0.000 0.284 558 Y C 1.922 177.934 175.900 0.187 0.000 1.179 558 Y CA 2.577 60.789 58.100 0.187 0.000 1.179 558 Y CB -0.031 38.518 38.460 0.149 0.000 0.973 558 Y HN 0.704 nan 8.280 nan 0.000 0.519 559 T N -2.595 111.953 114.554 -0.011 0.000 3.100 559 T HA 0.008 4.371 4.350 0.021 0.000 0.253 559 T C 0.374 175.012 174.700 -0.103 0.000 1.118 559 T CA 0.366 62.375 62.100 -0.152 0.000 1.058 559 T CB -0.306 68.556 68.868 -0.011 0.000 0.953 559 T HN 0.253 nan 8.240 nan 0.000 0.515 560 D N 1.452 121.859 120.400 0.013 0.000 2.365 560 D HA 0.229 4.882 4.640 0.021 0.000 0.237 560 D C 0.631 176.996 176.300 0.109 0.000 1.190 560 D CA -0.502 53.537 54.000 0.065 0.000 0.867 560 D CB 0.795 41.670 40.800 0.126 0.000 1.050 560 D HN 0.189 nan 8.370 nan 0.000 0.491 561 R N 2.843 123.319 120.500 -0.040 0.000 2.427 561 R HA 0.150 4.502 4.340 0.021 0.000 0.262 561 R C 1.654 177.833 176.300 -0.203 0.000 0.943 561 R CA -0.153 55.806 56.100 -0.235 0.000 1.081 561 R CB 0.577 30.615 30.300 -0.436 0.000 1.166 561 R HN 0.329 nan 8.270 nan 0.000 0.534 562 K N 0.825 121.259 120.400 0.057 0.000 2.103 562 K HA -0.177 4.156 4.320 0.021 0.000 0.207 562 K C 1.730 178.382 176.600 0.087 0.000 1.048 562 K CA 1.599 57.976 56.287 0.150 0.000 0.930 562 K CB -0.110 32.476 32.500 0.144 0.000 0.716 562 K HN 0.458 nan 8.250 nan 0.000 0.444 563 W N 0.447 121.768 121.300 0.034 0.000 2.387 563 W HA -0.189 4.483 4.660 0.020 0.000 0.272 563 W C 1.113 177.575 176.519 -0.094 0.000 1.224 563 W CA 0.350 57.687 57.345 -0.014 0.000 1.210 563 W CB -1.333 28.200 29.460 0.122 0.000 1.125 563 W HN -0.023 nan 8.180 nan 0.000 0.572 564 C N 0.480 119.113 119.300 -1.111 0.000 2.437 564 C HA -0.074 4.398 4.460 0.021 0.000 0.283 564 C C 2.020 176.390 174.990 -1.033 0.000 1.424 564 C CA 0.678 58.900 59.018 -1.328 0.000 1.782 564 C CB -1.791 24.790 27.740 -1.932 0.000 1.833 564 C HN 0.298 nan 8.230 nan 0.000 0.532 565 F N 0.266 120.099 119.950 -0.195 0.000 2.789 565 F HA 0.173 4.712 4.527 0.022 0.000 0.320 565 F C 1.233 176.988 175.800 -0.075 0.000 1.079 565 F CA 0.062 57.985 58.000 -0.128 0.000 1.205 565 F CB -0.316 38.597 39.000 -0.145 0.000 1.046 565 F HN 0.164 nan 8.300 nan 0.000 0.586 566 D N -0.309 120.134 120.400 0.071 0.000 2.424 566 D HA 0.222 4.875 4.640 0.021 0.000 0.220 566 D C 1.040 177.333 176.300 -0.011 0.000 1.150 566 D CA -0.014 54.012 54.000 0.043 0.000 0.831 566 D CB -0.429 40.401 40.800 0.050 0.000 0.981 566 D HN 0.087 nan 8.370 nan 0.000 0.500 567 G N 0.978 109.763 108.800 -0.026 0.000 2.651 567 G HA2 0.400 4.372 3.960 0.021 0.000 0.260 567 G HA3 0.400 4.372 3.960 0.021 0.000 0.260 567 G C -2.282 172.604 174.900 -0.024 0.000 1.216 567 G CA -1.136 43.931 45.100 -0.054 0.000 0.913 567 G HN 0.065 nan 8.290 nan 0.000 0.535 568 P HA 0.145 nan 4.420 nan 0.000 0.272 568 P C 0.354 177.656 177.300 0.003 0.000 1.223 568 P CA -0.493 62.604 63.100 -0.006 0.000 0.784 568 P CB 1.129 32.828 31.700 -0.001 0.000 0.923 569 R N 1.620 122.123 120.500 0.006 0.000 2.200 569 R HA -0.121 4.231 4.340 0.021 0.000 0.234 569 R C 2.001 178.305 176.300 0.007 0.000 1.127 569 R CA 2.264 58.368 56.100 0.006 0.000 0.989 569 R CB -1.660 28.643 30.300 0.006 0.000 0.869 569 R HN 0.645 nan 8.270 nan 0.000 0.459 570 T N -2.173 112.388 114.554 0.010 0.000 2.929 570 T HA -0.059 4.304 4.350 0.021 0.000 0.271 570 T C 1.090 175.798 174.700 0.013 0.000 1.085 570 T CA 1.384 63.493 62.100 0.014 0.000 1.125 570 T CB -0.281 68.600 68.868 0.022 0.000 0.874 570 T HN 0.157 nan 8.240 nan 0.000 0.494 571 N N 1.759 120.467 118.700 0.012 0.000 2.336 571 N HA 0.397 5.149 4.740 0.021 0.000 0.189 571 N C 0.423 175.923 175.510 -0.016 0.000 1.113 571 N CA 0.360 53.418 53.050 0.013 0.000 0.858 571 N CB 0.008 38.514 38.487 0.033 0.000 0.970 571 N HN 0.668 nan 8.380 nan 0.000 0.471 572 A N 0.884 123.692 122.820 -0.019 0.000 2.548 572 A HA 0.122 4.455 4.320 0.021 0.000 0.247 572 A C 0.383 177.919 177.584 -0.080 0.000 1.067 572 A CA -0.003 52.016 52.037 -0.030 0.000 0.757 572 A CB -0.351 18.642 19.000 -0.013 0.000 0.996 572 A HN 0.238 nan 8.150 nan 0.000 0.504 573 I N 3.042 123.549 120.570 -0.104 0.000 2.441 573 I HA 0.197 4.379 4.170 0.021 0.000 0.287 573 I C -0.179 175.884 176.117 -0.091 0.000 1.049 573 I CA 0.104 61.287 61.300 -0.194 0.000 1.381 573 I CB 0.750 38.621 38.000 -0.216 0.000 1.409 573 I HN 0.480 nan 8.210 nan 0.000 0.523 574 L N 6.603 127.776 121.223 -0.083 0.000 2.329 574 L HA 0.568 4.921 4.340 0.021 0.000 0.279 574 L C -0.244 176.635 176.870 0.015 0.000 1.014 574 L CA -0.530 54.298 54.840 -0.019 0.000 0.814 574 L CB 1.651 43.705 42.059 -0.008 0.000 1.257 574 L HN 0.603 nan 8.230 nan 0.000 0.424 575 E N 2.102 122.325 120.200 0.038 0.000 2.224 575 E HA 0.206 4.568 4.350 0.021 0.000 0.265 575 E C -1.138 175.503 176.600 0.068 0.000 0.878 575 E CA -0.612 55.830 56.400 0.071 0.000 0.759 575 E CB 1.324 31.076 29.700 0.086 0.000 1.164 575 E HN 0.673 nan 8.360 nan 0.000 0.414 576 D N 4.377 124.821 120.400 0.073 0.000 2.704 576 D HA -0.242 4.411 4.640 0.021 0.000 0.232 576 D C -0.597 175.726 176.300 0.039 0.000 1.183 576 D CA 1.400 55.433 54.000 0.054 0.000 0.647 576 D CB -0.993 39.840 40.800 0.056 0.000 1.013 576 D HN 0.719 nan 8.370 nan 0.000 0.415 577 N N -2.232 116.489 118.700 0.035 0.000 2.829 577 N HA -0.237 4.516 4.740 0.021 0.000 0.250 577 N C -0.350 175.172 175.510 0.020 0.000 1.090 577 N CA 0.936 54.001 53.050 0.025 0.000 0.781 577 N CB -0.970 37.530 38.487 0.022 0.000 1.124 577 N HN 0.494 nan 8.380 nan 0.000 0.559 578 I N 0.461 121.043 120.570 0.021 0.000 2.913 578 I HA 0.249 4.432 4.170 0.021 0.000 0.302 578 I C -0.387 175.738 176.117 0.013 0.000 1.246 578 I CA -1.300 60.009 61.300 0.015 0.000 1.010 578 I CB 1.962 39.971 38.000 0.016 0.000 1.259 578 I HN 0.032 nan 8.210 nan 0.000 0.434 579 E N 2.978 123.182 120.200 0.007 0.000 2.452 579 E HA 0.218 4.581 4.350 0.021 0.000 0.261 579 E C -0.963 175.643 176.600 0.010 0.000 0.987 579 E CA 0.068 56.471 56.400 0.004 0.000 0.926 579 E CB 0.726 30.427 29.700 0.003 0.000 0.934 579 E HN 0.399 nan 8.360 nan 0.000 0.452 580 V N 4.362 124.283 119.914 0.011 0.000 2.461 580 V HA 0.089 4.221 4.120 0.021 0.000 0.275 580 V C 0.091 176.197 176.094 0.021 0.000 1.047 580 V CA 0.144 62.456 62.300 0.020 0.000 0.955 580 V CB 1.118 32.958 31.823 0.027 0.000 0.988 580 V HN 0.657 nan 8.190 nan 0.000 0.471 581 E N 4.006 124.214 120.200 0.014 0.000 2.244 581 E HA 0.699 5.062 4.350 0.021 0.000 0.266 581 E C -0.991 175.609 176.600 -0.001 0.000 0.914 581 E CA -0.741 55.662 56.400 0.006 0.000 0.794 581 E CB 2.593 32.286 29.700 -0.012 0.000 1.210 581 E HN 0.639 nan 8.360 nan 0.000 0.414 582 I N -2.168 118.397 120.570 -0.009 0.000 3.042 582 I HA 0.539 4.721 4.170 0.021 0.000 0.310 582 I C -1.100 174.968 176.117 -0.082 0.000 1.117 582 I CA -1.078 60.203 61.300 -0.032 0.000 1.003 582 I CB 1.664 39.660 38.000 -0.007 0.000 1.228 582 I HN 0.176 nan 8.210 nan 0.000 0.443 583 V N 2.667 122.529 119.914 -0.087 0.000 2.357 583 V HA 0.488 4.621 4.120 0.021 0.000 0.284 583 V C 0.546 176.564 176.094 -0.126 0.000 1.018 583 V CA -0.205 62.029 62.300 -0.111 0.000 0.841 583 V CB 1.123 32.895 31.823 -0.084 0.000 0.991 583 V HN 1.051 nan 8.190 nan 0.000 0.437 584 T N 2.919 117.371 114.554 -0.171 0.000 2.813 584 T HA 0.208 4.570 4.350 0.021 0.000 0.297 584 T C 1.224 175.845 174.700 -0.132 0.000 1.036 584 T CA -0.486 61.512 62.100 -0.169 0.000 1.044 584 T CB 0.758 69.490 68.868 -0.226 0.000 0.993 584 T HN 0.469 nan 8.240 nan 0.000 0.535 585 R N 0.571 120.996 120.500 -0.124 0.000 2.237 585 R HA 0.043 4.395 4.340 0.021 0.000 0.219 585 R C 1.881 178.125 176.300 -0.093 0.000 1.080 585 R CA 0.679 56.719 56.100 -0.100 0.000 0.995 585 R CB -0.547 29.696 30.300 -0.095 0.000 0.875 585 R HN 0.628 nan 8.270 nan 0.000 0.462 586 M N -0.807 118.729 119.600 -0.107 0.000 2.619 586 M HA 0.114 4.607 4.480 0.021 0.000 0.251 586 M C 0.796 177.038 176.300 -0.096 0.000 1.106 586 M CA 0.681 55.923 55.300 -0.097 0.000 1.086 586 M CB -0.564 31.974 32.600 -0.104 0.000 1.465 586 M HN 0.338 nan 8.290 nan 0.000 0.506 587 G N 1.403 110.141 108.800 -0.104 0.000 2.142 587 G HA2 -0.191 3.782 3.960 0.021 0.000 0.225 587 G HA3 -0.191 3.782 3.960 0.021 0.000 0.225 587 G C -0.313 174.521 174.900 -0.110 0.000 1.015 587 G CA -0.245 44.798 45.100 -0.094 0.000 0.716 587 G HN 0.487 nan 8.290 nan 0.000 0.508 588 E N -0.306 119.806 120.200 -0.146 0.000 2.187 588 E HA 0.449 4.811 4.350 0.021 0.000 0.268 588 E C 0.169 176.649 176.600 -0.199 0.000 0.896 588 E CA -0.941 55.356 56.400 -0.171 0.000 0.766 588 E CB 1.748 31.320 29.700 -0.213 0.000 1.142 588 E HN 0.263 nan 8.360 nan 0.000 0.408 589 R N 3.029 123.430 120.500 -0.164 0.000 2.265 589 R HA 0.229 4.582 4.340 0.021 0.000 0.314 589 R C -0.711 175.472 176.300 -0.194 0.000 1.053 589 R CA 0.043 56.051 56.100 -0.154 0.000 0.931 589 R CB 0.470 30.710 30.300 -0.100 0.000 1.024 589 R HN 0.419 nan 8.270 nan 0.000 0.457 590 K N 4.243 124.507 120.400 -0.228 0.000 2.426 590 K HA 0.384 4.717 4.320 0.021 0.000 0.251 590 K C -0.708 175.859 176.600 -0.055 0.000 0.941 590 K CA -0.827 55.308 56.287 -0.254 0.000 0.808 590 K CB 2.276 34.332 32.500 -0.741 0.000 1.265 590 K HN 0.438 nan 8.250 nan 0.000 0.432 591 I N 2.306 122.890 120.570 0.022 0.000 2.428 591 I HA 0.075 4.258 4.170 0.021 0.000 0.289 591 I C -0.174 176.058 176.117 0.192 0.000 1.019 591 I CA -0.757 60.588 61.300 0.076 0.000 1.351 591 I CB 0.643 38.666 38.000 0.040 0.000 1.412 591 I HN 0.298 nan 8.210 nan 0.000 0.513 592 L N 7.953 129.249 121.223 0.122 0.000 2.385 592 L HA 0.200 4.553 4.340 0.021 0.000 0.281 592 L C -0.016 176.861 176.870 0.012 0.000 1.106 592 L CA 0.570 55.431 54.840 0.036 0.000 0.856 592 L CB -0.382 41.675 42.059 -0.004 0.000 1.186 592 L HN 0.552 nan 8.230 nan 0.000 0.453 593 K N 6.217 126.607 120.400 -0.017 0.000 3.088 593 K HA 0.430 4.762 4.320 0.021 0.000 0.193 593 K C -2.768 173.825 176.600 -0.012 0.000 1.176 593 K CA -1.363 54.925 56.287 0.003 0.000 0.907 593 K CB 0.951 33.467 32.500 0.027 0.000 1.139 593 K HN 0.285 nan 8.250 nan 0.000 0.597 594 P HA 0.161 nan 4.420 nan 0.000 0.271 594 P C 0.087 177.455 177.300 0.113 0.000 1.218 594 P CA -0.320 62.857 63.100 0.129 0.000 0.780 594 P CB 0.930 32.862 31.700 0.386 0.000 0.901 595 R N 1.054 121.584 120.500 0.049 0.000 2.120 595 R HA -0.040 4.312 4.340 0.021 0.000 0.234 595 R C 0.200 176.159 176.300 -0.569 0.000 1.123 595 R CA 1.442 57.280 56.100 -0.436 0.000 0.975 595 R CB 0.064 29.727 30.300 -1.061 0.000 0.866 595 R HN 0.594 nan 8.270 nan 0.000 0.446 596 W N 0.176 121.676 121.300 0.334 0.000 2.739 596 W HA 0.386 5.059 4.660 0.022 0.000 0.331 596 W C -1.058 175.707 176.519 0.411 0.000 1.049 596 W CA -0.978 56.564 57.345 0.328 0.000 1.234 596 W CB 0.789 30.356 29.460 0.178 0.000 1.404 596 W HN -0.116 nan 8.180 nan 0.000 0.477 597 L N 3.291 124.860 121.223 0.577 0.000 2.282 597 L HA 0.290 4.643 4.340 0.021 0.000 0.288 597 L C -0.060 177.064 176.870 0.424 0.000 1.033 597 L CA -0.068 55.050 54.840 0.464 0.000 0.807 597 L CB 1.173 43.440 42.059 0.346 0.000 1.209 597 L HN 0.245 nan 8.230 nan 0.000 0.423 598 D N 2.708 123.314 120.400 0.345 0.000 2.462 598 D HA 0.298 4.950 4.640 0.021 0.000 0.245 598 D C 0.604 176.818 176.300 -0.144 0.000 1.122 598 D CA -0.376 53.696 54.000 0.119 0.000 0.864 598 D CB 2.237 43.181 40.800 0.241 0.000 1.098 598 D HN 0.572 nan 8.370 nan 0.000 0.541 599 A N 4.420 127.041 122.820 -0.331 0.000 2.131 599 A HA -0.164 4.168 4.320 0.021 0.000 0.220 599 A C 1.952 179.107 177.584 -0.715 0.000 1.158 599 A CA 1.003 52.510 52.037 -0.884 0.000 0.665 599 A CB -0.165 18.534 19.000 -0.501 0.000 0.795 599 A HN 0.622 nan 8.150 nan 0.000 0.460 600 R N -0.481 119.803 120.500 -0.360 0.000 2.148 600 R HA -0.085 4.267 4.340 0.021 0.000 0.227 600 R C 1.879 178.052 176.300 -0.212 0.000 1.103 600 R CA 1.395 57.355 56.100 -0.233 0.000 0.983 600 R CB -0.499 29.727 30.300 -0.123 0.000 0.874 600 R HN 0.599 nan 8.270 nan 0.000 0.451 601 V N -1.124 118.636 119.914 -0.256 0.000 3.380 601 V HA -0.059 4.074 4.120 0.021 0.000 0.268 601 V C 0.610 176.685 176.094 -0.032 0.000 1.168 601 V CA 0.752 62.927 62.300 -0.208 0.000 1.156 601 V CB -0.657 30.814 31.823 -0.588 0.000 0.785 601 V HN 0.419 nan 8.190 nan 0.000 0.487 602 Y N -2.163 118.105 120.300 -0.052 0.000 2.712 602 Y HA 0.879 5.443 4.550 0.023 0.000 0.250 602 Y C 1.613 177.531 175.900 0.030 0.000 1.101 602 Y CA -0.312 57.802 58.100 0.024 0.000 1.118 602 Y CB -0.405 38.082 38.460 0.045 0.000 1.203 602 Y HN 0.047 nan 8.280 nan 0.000 0.587 603 A N 0.805 123.563 122.820 -0.103 0.000 1.898 603 A HA -0.025 4.308 4.320 0.021 0.000 0.216 603 A C 0.955 178.555 177.584 0.026 0.000 1.181 603 A CA 1.772 53.758 52.037 -0.085 0.000 0.620 603 A CB -0.379 18.560 19.000 -0.102 0.000 0.819 603 A HN 0.651 nan 8.150 nan 0.000 0.442 604 D N -4.380 116.055 120.400 0.059 0.000 2.592 604 D HA 0.137 4.790 4.640 0.021 0.000 0.263 604 D C 0.484 176.872 176.300 0.147 0.000 1.132 604 D CA -0.552 53.507 54.000 0.099 0.000 0.996 604 D CB 0.237 41.081 40.800 0.074 0.000 1.442 604 D HN 0.179 nan 8.370 nan 0.000 0.486 605 H N -0.225 118.891 119.070 0.077 0.000 2.387 605 H HA -0.137 4.431 4.556 0.020 0.000 0.299 605 H C 1.290 176.683 175.328 0.108 0.000 1.099 605 H CA 1.941 58.042 56.048 0.089 0.000 1.315 605 H CB 0.631 30.433 29.762 0.065 0.000 1.380 605 H HN 0.326 nan 8.280 nan 0.000 0.513 606 Q N 0.255 120.148 119.800 0.154 0.000 2.083 606 Q HA 0.006 4.359 4.340 0.021 0.000 0.198 606 Q C 2.560 178.638 176.000 0.130 0.000 0.969 606 Q CA 0.951 56.829 55.803 0.124 0.000 0.838 606 Q CB -0.737 28.071 28.738 0.117 0.000 0.900 606 Q HN 0.478 nan 8.270 nan 0.000 0.436 607 A N 1.529 124.415 122.820 0.110 0.000 1.883 607 A HA -0.177 4.156 4.320 0.021 0.000 0.217 607 A C 2.179 179.899 177.584 0.227 0.000 1.186 607 A CA 1.628 53.746 52.037 0.134 0.000 0.624 607 A CB -0.759 18.276 19.000 0.058 0.000 0.822 607 A HN 0.318 nan 8.150 nan 0.000 0.444 608 L N -0.187 121.141 121.223 0.175 0.000 2.093 608 L HA -0.104 4.249 4.340 0.021 0.000 0.208 608 L C 2.257 179.228 176.870 0.169 0.000 1.085 608 L CA 2.747 57.716 54.840 0.215 0.000 0.755 608 L CB -0.576 41.574 42.059 0.151 0.000 0.904 608 L HN 0.387 nan 8.230 nan 0.000 0.435 609 K N -0.712 119.717 120.400 0.048 0.000 2.063 609 K HA -0.273 4.059 4.320 0.021 0.000 0.208 609 K C 2.089 178.790 176.600 0.169 0.000 1.048 609 K CA 2.049 58.359 56.287 0.039 0.000 0.928 609 K CB -0.872 31.614 32.500 -0.022 0.000 0.713 609 K HN 0.613 nan 8.250 nan 0.000 0.442 610 W N 0.149 121.503 121.300 0.090 0.000 2.388 610 W HA -0.203 4.472 4.660 0.024 0.000 0.294 610 W C 1.501 178.151 176.519 0.219 0.000 1.212 610 W CA 1.136 58.559 57.345 0.130 0.000 1.271 610 W CB -0.394 29.137 29.460 0.118 0.000 1.126 610 W HN 0.158 nan 8.180 nan 0.000 0.535 611 F N 2.113 122.217 119.950 0.256 0.000 2.186 611 F HA -0.090 4.450 4.527 0.022 0.000 0.299 611 F C 2.329 178.191 175.800 0.103 0.000 1.090 611 F CA 2.004 60.123 58.000 0.198 0.000 1.307 611 F CB -0.562 38.566 39.000 0.213 0.000 1.019 611 F HN -0.258 nan 8.300 nan 0.000 0.489 612 K N 0.088 120.493 120.400 0.008 0.000 2.057 612 K HA -0.183 4.149 4.320 0.021 0.000 0.207 612 K C 1.754 178.252 176.600 -0.170 0.000 1.049 612 K CA 1.721 57.929 56.287 -0.132 0.000 0.931 612 K CB -0.328 32.149 32.500 -0.039 0.000 0.714 612 K HN 0.203 nan 8.250 nan 0.000 0.440 613 D N 0.408 120.718 120.400 -0.150 0.000 2.104 613 D HA -0.190 4.463 4.640 0.021 0.000 0.194 613 D C 1.638 177.779 176.300 -0.265 0.000 0.994 613 D CA 0.952 54.824 54.000 -0.213 0.000 0.830 613 D CB -0.361 40.274 40.800 -0.275 0.000 0.959 613 D HN 0.078 nan 8.370 nan 0.000 0.452 614 F N 1.762 121.452 119.950 -0.434 0.000 2.065 614 F HA -0.246 4.294 4.527 0.022 0.000 0.298 614 F C 2.213 177.782 175.800 -0.386 0.000 1.112 614 F CA 1.920 59.691 58.000 -0.380 0.000 1.212 614 F CB -0.437 38.403 39.000 -0.268 0.000 0.975 614 F HN -0.041 nan 8.300 nan 0.000 0.476 615 A N 0.256 122.739 122.820 -0.563 0.000 1.933 615 A HA -0.029 4.304 4.320 0.021 0.000 0.218 615 A C 2.327 179.726 177.584 -0.309 0.000 1.175 615 A CA 1.702 53.339 52.037 -0.667 0.000 0.628 615 A CB -1.554 17.011 19.000 -0.725 0.000 0.814 615 A HN 0.541 nan 8.150 nan 0.000 0.444 616 A N -1.932 120.745 122.820 -0.239 0.000 2.119 616 A HA 0.372 4.704 4.320 0.021 0.000 0.217 616 A C 1.851 179.310 177.584 -0.209 0.000 1.153 616 A CA 1.407 53.349 52.037 -0.158 0.000 0.692 616 A CB -0.850 18.067 19.000 -0.140 0.000 0.799 616 A HN 1.952 nan 8.150 nan 0.000 0.458 617 G N -0.748 107.865 108.800 -0.312 0.000 2.130 617 G HA2 -0.221 3.752 3.960 0.021 0.000 0.216 617 G HA3 -0.221 3.752 3.960 0.021 0.000 0.216 617 G C 0.185 174.955 174.900 -0.216 0.000 0.999 617 G CA 0.382 45.304 45.100 -0.297 0.000 0.686 617 G HN 0.596 nan 8.290 nan 0.000 0.515 618 K N 0.000 120.272 120.400 -0.214 0.000 2.780 618 K HA 0.000 4.332 4.320 0.021 0.000 0.191 618 K CA 0.000 56.190 56.287 -0.162 0.000 0.838 618 K CB 0.000 32.401 32.500 -0.164 0.000 1.064 618 K HN 0.000 nan 8.250 nan 0.000 0.543