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 2xtj_1_A DATA FIRST_RESID 155 DATA SEQUENCE PWNXXXXXXX XXXXXXXXXX XXXSLVEVYL LDTSIQSDHR EIEGRVMVTD DATA SEQUENCE FENVPEEDXX XXXXQASKcD SHGTHLAGVV SGRDAGVAKG ASMRSLRVLN DATA SEQUENCE cQGKGTVSGT LIGLEFIRKS QLVQPVGPLV VLLPLAGGYS RVLNAACQRL DATA SEQUENCE ARAGVVLVTA AGNFRDDAcL YSPASAPEVI TVGATNAQDQ PVTLGTLGTN DATA SEQUENCE FGRcVDLFAP GEDIIGASSD CSTCFVSQSG TSQAAAHVAG IAAMMLSAEP DATA SEQUENCE ELTLAELRQR LILFSAKD 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 155 P HA 0.000 nan 4.420 nan 0.000 0.216 155 P C 0.000 177.326 177.300 0.043 0.000 1.155 155 P CA 0.000 63.132 63.100 0.054 0.000 0.800 155 P CB 0.000 31.695 31.700 -0.009 0.000 0.726 156 W N 3.771 125.080 121.300 0.016 0.000 2.308 156 W HA -0.224 4.432 4.660 -0.005 0.000 0.301 156 W C -0.044 176.488 176.519 0.021 0.000 1.220 156 W CA 1.517 58.870 57.345 0.013 0.000 1.240 156 W CB -1.051 28.412 29.460 0.005 0.000 1.142 156 W HN 0.399 nan 8.180 nan 0.000 0.521 179 L N 6.396 127.610 121.223 -0.014 0.000 2.369 179 L HA 0.669 5.006 4.340 -0.004 0.000 0.279 179 L C -0.584 176.280 176.870 -0.011 0.000 1.108 179 L CA 0.342 55.173 54.840 -0.015 0.000 0.852 179 L CB 0.801 42.852 42.059 -0.013 0.000 1.169 179 L HN 0.514 nan 8.230 nan 0.000 0.452 180 V N 4.160 124.064 119.914 -0.017 0.000 2.732 180 V HA 0.530 4.648 4.120 -0.004 0.000 0.310 180 V C -0.391 175.695 176.094 -0.013 0.000 1.053 180 V CA -0.754 61.540 62.300 -0.010 0.000 0.957 180 V CB 1.863 33.674 31.823 -0.020 0.000 1.018 180 V HN 0.735 nan 8.190 nan 0.000 0.452 181 E N 1.499 121.706 120.200 0.011 0.000 2.199 181 E HA 0.568 4.915 4.350 -0.004 0.000 0.265 181 E C -1.423 175.180 176.600 0.004 0.000 0.882 181 E CA -0.347 56.041 56.400 -0.019 0.000 0.759 181 E CB 1.927 31.650 29.700 0.039 0.000 1.148 181 E HN 0.403 nan 8.360 nan 0.000 0.412 182 V N 5.562 125.423 119.914 -0.089 0.000 2.347 182 V HA 0.317 4.435 4.120 -0.004 0.000 0.280 182 V C -0.769 175.255 176.094 -0.118 0.000 1.021 182 V CA -0.620 61.657 62.300 -0.039 0.000 0.847 182 V CB 0.272 32.064 31.823 -0.051 0.000 0.990 182 V HN 0.637 nan 8.190 nan 0.000 0.444 183 Y N 4.828 125.120 120.300 -0.013 0.000 2.320 183 Y HA 0.581 5.127 4.550 -0.006 0.000 0.334 183 Y C -0.022 175.866 175.900 -0.019 0.000 1.055 183 Y CA -0.519 57.575 58.100 -0.009 0.000 1.143 183 Y CB 1.695 40.154 38.460 -0.002 0.000 1.193 183 Y HN 0.545 nan 8.280 nan 0.000 0.477 184 L N 4.961 126.238 121.223 0.089 0.000 2.313 184 L HA 0.580 4.918 4.340 -0.004 0.000 0.283 184 L C -1.768 175.134 176.870 0.054 0.000 1.013 184 L CA -0.665 54.206 54.840 0.051 0.000 0.816 184 L CB 0.871 42.934 42.059 0.006 0.000 1.236 184 L HN 0.479 nan 8.230 nan 0.000 0.419 185 L N 6.088 127.338 121.223 0.046 0.000 2.280 185 L HA 0.668 5.005 4.340 -0.004 0.000 0.287 185 L C -0.094 176.811 176.870 0.059 0.000 1.023 185 L CA 0.239 55.098 54.840 0.032 0.000 0.819 185 L CB 1.015 43.074 42.059 -0.000 0.000 1.212 185 L HN 0.738 nan 8.230 nan 0.000 0.420 186 D N -0.421 120.022 120.400 0.072 0.000 3.182 186 D HA 0.181 4.818 4.640 -0.004 0.000 0.352 186 D C -0.606 175.751 176.300 0.094 0.000 1.421 186 D CA -0.131 53.934 54.000 0.108 0.000 0.912 186 D CB 1.491 42.367 40.800 0.126 0.000 1.461 186 D HN 0.409 nan 8.370 nan 0.000 0.548 187 T N -0.788 113.835 114.554 0.115 0.000 2.698 187 T HA 0.417 4.765 4.350 -0.004 0.000 0.295 187 T C 0.887 175.623 174.700 0.059 0.000 1.007 187 T CA -0.173 61.974 62.100 0.079 0.000 0.980 187 T CB 0.361 69.284 68.868 0.091 0.000 1.036 187 T HN 0.388 nan 8.240 nan 0.000 0.526 188 S N 0.300 116.024 115.700 0.041 0.000 2.580 188 S HA 0.365 4.832 4.470 -0.004 0.000 0.266 188 S C 0.292 174.907 174.600 0.025 0.000 1.354 188 S CA -0.651 57.565 58.200 0.027 0.000 1.008 188 S CB -0.521 62.689 63.200 0.017 0.000 0.898 188 S HN 1.123 nan 8.310 nan 0.000 0.555 189 I N -2.052 118.526 120.570 0.013 0.000 2.785 189 I HA 0.439 4.606 4.170 -0.004 0.000 0.302 189 I C -0.396 175.723 176.117 0.004 0.000 1.069 189 I CA -1.001 60.300 61.300 0.002 0.000 1.045 189 I CB 2.036 40.029 38.000 -0.012 0.000 1.236 189 I HN 0.643 nan 8.210 nan 0.000 0.429 190 Q N 3.214 123.017 119.800 0.004 0.000 2.664 190 Q HA 0.145 4.482 4.340 -0.004 0.000 0.223 190 Q C 0.854 176.870 176.000 0.027 0.000 1.298 190 Q CA 0.039 55.855 55.803 0.022 0.000 0.965 190 Q CB 0.762 29.526 28.738 0.044 0.000 1.510 190 Q HN 0.974 nan 8.270 nan 0.000 0.567 191 S N 1.968 117.676 115.700 0.014 0.000 2.440 191 S HA -0.142 4.326 4.470 -0.004 0.000 0.238 191 S C 0.873 175.484 174.600 0.019 0.000 1.010 191 S CA 1.075 59.280 58.200 0.010 0.000 0.972 191 S CB 0.146 63.347 63.200 0.002 0.000 0.774 191 S HN 0.536 nan 8.310 nan 0.000 0.501 192 D N 0.870 121.283 120.400 0.022 0.000 2.317 192 D HA 0.057 4.694 4.640 -0.004 0.000 0.211 192 D C 0.619 176.927 176.300 0.013 0.000 0.966 192 D CA 0.339 54.345 54.000 0.010 0.000 0.876 192 D CB -0.604 40.193 40.800 -0.005 0.000 0.927 192 D HN 0.662 nan 8.370 nan 0.000 0.519 193 H N 0.474 119.511 119.070 -0.055 0.000 3.092 193 H HA -0.090 4.463 4.556 -0.005 0.000 0.332 193 H C 1.610 176.894 175.328 -0.074 0.000 1.029 193 H CA 0.309 56.309 56.048 -0.080 0.000 1.376 193 H CB 0.748 30.439 29.762 -0.117 0.000 1.329 193 H HN -0.147 nan 8.280 nan 0.000 0.598 194 R N 2.954 123.280 120.500 -0.290 0.000 2.159 194 R HA -0.133 4.205 4.340 -0.004 0.000 0.237 194 R C 1.190 177.541 176.300 0.085 0.000 1.131 194 R CA 1.940 57.992 56.100 -0.080 0.000 0.982 194 R CB -0.184 30.042 30.300 -0.124 0.000 0.868 194 R HN 0.652 nan 8.270 nan 0.000 0.453 195 E N 0.529 120.888 120.200 0.265 0.000 2.285 195 E HA -0.003 4.344 4.350 -0.004 0.000 0.194 195 E C 1.707 178.338 176.600 0.053 0.000 0.997 195 E CA 1.482 57.968 56.400 0.143 0.000 0.845 195 E CB 0.231 29.960 29.700 0.048 0.000 0.782 195 E HN 0.758 nan 8.360 nan 0.000 0.491 196 I N -1.409 119.191 120.570 0.050 0.000 4.526 196 I HA 0.164 4.331 4.170 -0.004 0.000 0.330 196 I C 0.190 176.309 176.117 0.004 0.000 1.323 196 I CA -0.489 60.811 61.300 0.001 0.000 1.218 196 I CB 0.185 38.163 38.000 -0.037 0.000 1.233 196 I HN -0.254 nan 8.210 nan 0.000 0.430 197 E N 2.630 122.842 120.200 0.020 0.000 2.415 197 E HA 0.404 4.752 4.350 -0.004 0.000 0.263 197 E C 1.177 177.776 176.600 -0.002 0.000 0.995 197 E CA 0.748 57.152 56.400 0.007 0.000 0.915 197 E CB 0.577 30.279 29.700 0.004 0.000 0.951 197 E HN 0.502 nan 8.360 nan 0.000 0.449 198 G N 3.722 112.518 108.800 -0.006 0.000 2.234 198 G HA2 -0.320 3.637 3.960 -0.004 0.000 0.260 198 G HA3 -0.320 3.637 3.960 -0.004 0.000 0.260 198 G C 0.909 175.800 174.900 -0.016 0.000 0.987 198 G CA 0.390 45.485 45.100 -0.009 0.000 0.625 198 G HN 0.483 nan 8.290 nan 0.000 0.532 199 R N -0.633 119.855 120.500 -0.020 0.000 2.509 199 R HA 0.396 4.733 4.340 -0.004 0.000 0.297 199 R C -0.021 176.253 176.300 -0.044 0.000 0.951 199 R CA 0.361 56.443 56.100 -0.031 0.000 1.103 199 R CB 1.140 31.422 30.300 -0.030 0.000 1.283 199 R HN 0.412 nan 8.270 nan 0.000 0.534 200 V N 2.573 122.463 119.914 -0.040 0.000 2.357 200 V HA 0.295 4.412 4.120 -0.004 0.000 0.281 200 V C 0.081 176.149 176.094 -0.042 0.000 1.015 200 V CA -0.572 61.698 62.300 -0.051 0.000 0.827 200 V CB 1.908 33.703 31.823 -0.047 0.000 1.018 200 V HN 0.114 nan 8.190 nan 0.000 0.432 201 M N 5.259 124.827 119.600 -0.053 0.000 2.220 201 M HA 0.279 4.756 4.480 -0.004 0.000 0.343 201 M C -0.504 175.782 176.300 -0.023 0.000 1.470 201 M CA 0.068 55.347 55.300 -0.033 0.000 1.161 201 M CB 1.150 33.727 32.600 -0.038 0.000 1.737 201 M HN 0.394 nan 8.290 nan 0.000 0.464 202 V N 6.325 126.236 119.914 -0.005 0.000 2.370 202 V HA 0.078 4.195 4.120 -0.004 0.000 0.257 202 V C 1.108 177.218 176.094 0.027 0.000 1.064 202 V CA -0.361 61.942 62.300 0.005 0.000 0.975 202 V CB 0.009 31.835 31.823 0.004 0.000 1.067 202 V HN 0.934 nan 8.190 nan 0.000 0.485 203 T N 1.206 115.785 114.554 0.041 0.000 2.748 203 T HA 0.099 4.446 4.350 -0.004 0.000 0.304 203 T C 0.701 175.421 174.700 0.033 0.000 1.041 203 T CA 0.007 62.156 62.100 0.082 0.000 1.033 203 T CB 0.824 69.763 68.868 0.119 0.000 0.995 203 T HN 0.745 nan 8.240 nan 0.000 0.536 204 D N -0.750 119.679 120.400 0.049 0.000 2.342 204 D HA 0.105 4.743 4.640 -0.004 0.000 0.221 204 D C 0.046 176.307 176.300 -0.065 0.000 1.101 204 D CA -0.681 53.323 54.000 0.007 0.000 0.837 204 D CB -0.732 40.090 40.800 0.037 0.000 0.938 204 D HN 0.517 nan 8.370 nan 0.000 0.508 205 F N 2.030 121.770 119.950 -0.350 0.000 2.543 205 F HA 0.223 4.749 4.527 -0.002 0.000 0.375 205 F C 0.246 175.906 175.800 -0.234 0.000 1.075 205 F CA 0.028 57.766 58.000 -0.437 0.000 1.225 205 F CB 0.547 38.984 39.000 -0.939 0.000 1.099 205 F HN -0.054 nan 8.300 nan 0.000 0.561 206 E N 5.769 125.537 120.200 -0.719 0.000 2.307 206 E HA 0.207 4.554 4.350 -0.004 0.000 0.280 206 E C -1.986 174.270 176.600 -0.575 0.000 0.900 206 E CA -0.841 55.313 56.400 -0.410 0.000 0.790 206 E CB 1.043 30.624 29.700 -0.198 0.000 1.261 206 E HN 0.629 nan 8.360 nan 0.000 0.405 207 N N 4.249 122.756 118.700 -0.321 0.000 2.594 207 N HA 0.279 5.017 4.740 -0.004 0.000 0.280 207 N C -1.788 173.704 175.510 -0.030 0.000 1.156 207 N CA -0.200 52.730 53.050 -0.201 0.000 0.831 207 N CB 1.701 40.081 38.487 -0.180 0.000 1.379 207 N HN 0.390 nan 8.380 nan 0.000 0.536 208 V N 1.498 121.387 119.914 -0.042 0.000 2.841 208 V HA 0.778 4.895 4.120 -0.004 0.000 0.310 208 V C -2.436 173.649 176.094 -0.015 0.000 1.090 208 V CA -1.567 60.727 62.300 -0.011 0.000 0.930 208 V CB 1.659 33.477 31.823 -0.008 0.000 1.014 208 V HN 0.357 nan 8.190 nan 0.000 0.425 209 P HA 0.336 nan 4.420 nan 0.000 0.274 209 P C -0.263 177.032 177.300 -0.008 0.000 1.237 209 P CA -0.209 62.887 63.100 -0.006 0.000 0.793 209 P CB 0.934 32.633 31.700 -0.000 0.000 0.977 210 E N 0.440 120.635 120.200 -0.009 0.000 2.418 210 E HA -0.022 4.326 4.350 -0.004 0.000 0.261 210 E C -0.319 176.278 176.600 -0.005 0.000 1.070 210 E CA -0.145 56.250 56.400 -0.008 0.000 0.931 210 E CB 0.374 30.069 29.700 -0.008 0.000 0.954 210 E HN 0.299 nan 8.360 nan 0.000 0.439 211 E N 1.460 121.657 120.200 -0.005 0.000 2.366 211 E HA 0.160 4.507 4.350 -0.004 0.000 0.266 211 E C -0.265 176.334 176.600 -0.001 0.000 1.015 211 E CA 0.631 57.029 56.400 -0.003 0.000 0.906 211 E CB 0.829 30.528 29.700 -0.003 0.000 0.979 211 E HN 0.538 nan 8.360 nan 0.000 0.443 220 A N 1.125 123.948 122.820 0.004 0.000 2.303 220 A HA 0.259 4.577 4.320 -0.004 0.000 0.217 220 A C 1.010 178.598 177.584 0.007 0.000 1.205 220 A CA 0.393 52.433 52.037 0.006 0.000 0.875 220 A CB 0.382 19.385 19.000 0.006 0.000 0.910 220 A HN 0.269 nan 8.150 nan 0.000 0.501 221 S N 0.362 116.066 115.700 0.007 0.000 2.562 221 S HA 0.469 4.937 4.470 -0.004 0.000 0.275 221 S C -0.087 174.521 174.600 0.014 0.000 1.281 221 S CA -0.635 57.572 58.200 0.010 0.000 1.045 221 S CB 0.998 64.205 63.200 0.012 0.000 0.962 221 S HN 0.332 nan 8.310 nan 0.000 0.503 222 K N 0.430 120.840 120.400 0.017 0.000 2.286 222 K HA 0.077 4.394 4.320 -0.004 0.000 0.256 222 K C 1.254 177.867 176.600 0.022 0.000 0.999 222 K CA -0.040 56.258 56.287 0.018 0.000 0.908 222 K CB 0.120 32.631 32.500 0.020 0.000 0.981 222 K HN 0.831 nan 8.250 nan 0.000 0.500 223 c N 1.473 120.085 118.600 0.019 0.000 2.432 223 c HA -0.047 4.520 4.570 -0.004 0.000 0.282 223 c C 0.926 175.032 174.090 0.028 0.000 1.388 223 c CA 1.135 57.476 56.329 0.019 0.000 1.777 223 c CB -1.080 41.437 42.510 0.012 0.000 1.882 223 c HN 0.846 nan 8.230 nan 0.000 0.520 224 D N -0.121 120.297 120.400 0.030 0.000 2.623 224 D HA 0.102 4.740 4.640 -0.004 0.000 0.252 224 D C 1.317 177.641 176.300 0.041 0.000 1.294 224 D CA 0.698 54.719 54.000 0.036 0.000 0.824 224 D CB -0.612 40.202 40.800 0.024 0.000 1.070 224 D HN 0.546 nan 8.370 nan 0.000 0.487 225 S N -1.014 114.718 115.700 0.053 0.000 2.406 225 S HA -0.176 4.292 4.470 -0.004 0.000 0.224 225 S C 1.866 176.511 174.600 0.075 0.000 1.030 225 S CA 0.460 58.688 58.200 0.048 0.000 0.958 225 S CB -0.799 62.421 63.200 0.034 0.000 0.811 225 S HN 0.408 nan 8.310 nan 0.000 0.489 226 H N 1.624 120.697 119.070 0.006 0.000 2.353 226 H HA -0.004 4.550 4.556 -0.003 0.000 0.300 226 H C 2.208 177.562 175.328 0.043 0.000 1.090 226 H CA 1.768 57.827 56.048 0.019 0.000 1.327 226 H CB -0.669 29.098 29.762 0.009 0.000 1.383 226 H HN 0.553 nan 8.280 nan 0.000 0.508 227 G N -0.856 107.980 108.800 0.060 0.000 2.408 227 G HA2 -0.159 3.799 3.960 -0.004 0.000 0.215 227 G HA3 -0.159 3.799 3.960 -0.004 0.000 0.215 227 G C 1.744 176.616 174.900 -0.047 0.000 1.156 227 G CA 0.817 45.916 45.100 -0.002 0.000 0.793 227 G HN 0.369 nan 8.290 nan 0.000 0.535 228 T N -0.079 114.453 114.554 -0.037 0.000 2.746 228 T HA -0.139 4.208 4.350 -0.004 0.000 0.267 228 T C 2.000 176.617 174.700 -0.138 0.000 1.039 228 T CA 1.241 63.286 62.100 -0.092 0.000 1.142 228 T CB -0.418 68.398 68.868 -0.086 0.000 0.866 228 T HN 0.415 nan 8.240 nan 0.000 0.444 229 H N 0.867 119.828 119.070 -0.182 0.000 2.353 229 H HA 0.024 4.577 4.556 -0.005 0.000 0.300 229 H C 2.192 177.418 175.328 -0.171 0.000 1.090 229 H CA 1.235 57.173 56.048 -0.183 0.000 1.327 229 H CB -0.231 29.442 29.762 -0.149 0.000 1.383 229 H HN 0.300 nan 8.280 nan 0.000 0.508 230 L N 0.101 121.231 121.223 -0.155 0.000 2.109 230 L HA -0.069 4.268 4.340 -0.004 0.000 0.207 230 L C 3.109 179.879 176.870 -0.168 0.000 1.086 230 L CA 0.747 55.480 54.840 -0.178 0.000 0.760 230 L CB -0.463 41.500 42.059 -0.160 0.000 0.910 230 L HN 0.253 nan 8.230 nan 0.000 0.437 231 A N 0.500 123.233 122.820 -0.146 0.000 1.940 231 A HA -0.152 4.165 4.320 -0.004 0.000 0.219 231 A C 2.359 179.847 177.584 -0.160 0.000 1.176 231 A CA 1.829 53.789 52.037 -0.129 0.000 0.631 231 A CB -1.222 17.713 19.000 -0.108 0.000 0.814 231 A HN 0.442 nan 8.150 nan 0.000 0.446 232 G N -0.204 108.459 108.800 -0.228 0.000 2.552 232 G HA2 0.024 3.981 3.960 -0.004 0.000 0.216 232 G HA3 0.024 3.981 3.960 -0.004 0.000 0.216 232 G C 0.864 175.636 174.900 -0.213 0.000 1.240 232 G CA 1.053 46.002 45.100 -0.252 0.000 0.796 232 G HN 0.470 nan 8.290 nan 0.000 0.568 233 V N 0.431 120.170 119.914 -0.291 0.000 3.061 233 V HA 0.264 4.381 4.120 -0.004 0.000 0.306 233 V C 1.621 177.628 176.094 -0.145 0.000 1.118 233 V CA 0.700 62.882 62.300 -0.197 0.000 1.231 233 V CB 1.025 32.730 31.823 -0.195 0.000 0.956 233 V HN 0.655 nan 8.190 nan 0.000 0.499 234 V N 0.860 120.702 119.914 -0.119 0.000 0.591 234 V HA -0.286 3.832 4.120 -0.004 0.000 0.092 234 V C 1.497 177.530 176.094 -0.102 0.000 1.814 234 V CA 2.212 64.445 62.300 -0.111 0.000 3.395 234 V CB -1.899 29.866 31.823 -0.096 0.000 0.682 234 V HN 1.299 nan 8.190 nan 0.000 0.704 235 S N 1.104 116.747 115.700 -0.096 0.000 2.666 235 S HA 0.477 4.944 4.470 -0.004 0.000 0.239 235 S C 0.836 175.399 174.600 -0.061 0.000 1.031 235 S CA 0.828 58.982 58.200 -0.077 0.000 1.015 235 S CB 0.820 63.974 63.200 -0.076 0.000 0.981 235 S HN 1.937 nan 8.310 nan 0.000 0.547 236 G N 1.487 110.248 108.800 -0.064 0.000 2.353 236 G HA2 0.222 4.179 3.960 -0.004 0.000 0.239 236 G HA3 0.222 4.179 3.960 -0.004 0.000 0.239 236 G C 0.545 175.450 174.900 0.009 0.000 1.295 236 G CA -0.478 44.603 45.100 -0.030 0.000 0.884 236 G HN 0.420 nan 8.290 nan 0.000 0.537 237 R N 0.672 121.193 120.500 0.035 0.000 2.103 237 R HA -0.105 4.233 4.340 -0.004 0.000 0.242 237 R C 1.079 177.408 176.300 0.048 0.000 1.142 237 R CA 2.127 58.251 56.100 0.039 0.000 0.960 237 R CB 0.151 30.483 30.300 0.053 0.000 0.858 237 R HN 0.643 nan 8.270 nan 0.000 0.439 238 D N -2.623 117.830 120.400 0.090 0.000 2.473 238 D HA 0.119 4.757 4.640 -0.004 0.000 0.242 238 D C 0.650 176.983 176.300 0.056 0.000 1.106 238 D CA 0.512 54.552 54.000 0.066 0.000 0.854 238 D CB 0.854 41.697 40.800 0.071 0.000 1.192 238 D HN 0.229 nan 8.370 nan 0.000 0.503 239 A N 0.835 123.724 122.820 0.116 0.000 2.303 239 A HA 0.458 4.776 4.320 -0.004 0.000 0.217 239 A C 1.277 178.871 177.584 0.017 0.000 1.205 239 A CA 0.223 52.312 52.037 0.087 0.000 0.875 239 A CB 0.176 19.319 19.000 0.238 0.000 0.910 239 A HN 0.115 nan 8.150 nan 0.000 0.501 240 G N -1.135 107.663 108.800 -0.003 0.000 2.537 240 G HA2 0.400 4.358 3.960 -0.004 0.000 0.273 240 G HA3 0.400 4.358 3.960 -0.004 0.000 0.273 240 G C 0.821 175.681 174.900 -0.067 0.000 1.189 240 G CA 0.147 45.217 45.100 -0.050 0.000 0.881 240 G HN 0.053 nan 8.290 nan 0.000 0.535 241 V N 1.005 120.856 119.914 -0.105 0.000 2.379 241 V HA 0.126 4.243 4.120 -0.004 0.000 0.243 241 V C 1.964 177.979 176.094 -0.132 0.000 1.035 241 V CA 1.830 64.039 62.300 -0.151 0.000 1.035 241 V CB -0.448 31.209 31.823 -0.277 0.000 0.673 241 V HN 0.805 nan 8.190 nan 0.000 0.457 242 A N -0.314 122.435 122.820 -0.119 0.000 2.838 242 A HA 0.392 4.710 4.320 -0.004 0.000 0.337 242 A C 1.117 178.659 177.584 -0.071 0.000 1.383 242 A CA -0.420 51.559 52.037 -0.097 0.000 0.985 242 A CB 0.051 18.989 19.000 -0.103 0.000 1.157 242 A HN 0.371 nan 8.150 nan 0.000 0.497 243 K N 1.330 121.696 120.400 -0.056 0.000 2.160 243 K HA -0.160 4.158 4.320 -0.004 0.000 0.206 243 K C 2.099 178.678 176.600 -0.034 0.000 1.047 243 K CA 1.523 57.788 56.287 -0.038 0.000 0.930 243 K CB -0.146 32.339 32.500 -0.024 0.000 0.720 243 K HN 0.796 nan 8.250 nan 0.000 0.450 244 G N 1.070 109.847 108.800 -0.039 0.000 3.248 244 G HA2 -0.301 3.657 3.960 -0.004 0.000 0.228 244 G HA3 -0.301 3.657 3.960 -0.004 0.000 0.228 244 G C 0.356 175.232 174.900 -0.040 0.000 1.100 244 G CA 1.243 46.321 45.100 -0.038 0.000 0.750 244 G HN 0.517 nan 8.290 nan 0.000 1.046 245 A N -1.957 120.833 122.820 -0.051 0.000 2.387 245 A HA 0.711 5.028 4.320 -0.004 0.000 0.303 245 A C 0.008 177.555 177.584 -0.062 0.000 1.145 245 A CA 0.373 52.377 52.037 -0.056 0.000 0.801 245 A CB 1.552 20.513 19.000 -0.065 0.000 1.342 245 A HN 0.920 nan 8.150 nan 0.000 0.440 246 S N 0.403 116.062 115.700 -0.067 0.000 2.489 246 S HA 0.620 5.087 4.470 -0.004 0.000 0.277 246 S C -0.326 174.203 174.600 -0.118 0.000 1.230 246 S CA -0.163 57.988 58.200 -0.083 0.000 1.053 246 S CB -0.436 62.718 63.200 -0.076 0.000 0.955 246 S HN 0.493 nan 8.310 nan 0.000 0.488 247 M N 4.231 123.753 119.600 -0.131 0.000 2.464 247 M HA 0.496 4.973 4.480 -0.004 0.000 0.308 247 M C -0.671 175.502 176.300 -0.212 0.000 1.127 247 M CA -0.566 54.633 55.300 -0.168 0.000 0.913 247 M CB 2.453 34.984 32.600 -0.115 0.000 1.689 247 M HN 0.519 nan 8.290 nan 0.000 0.445 248 R N 0.830 121.139 120.500 -0.319 0.000 2.513 248 R HA 0.441 4.779 4.340 -0.004 0.000 0.301 248 R C -0.917 175.309 176.300 -0.124 0.000 0.968 248 R CA -0.457 55.474 56.100 -0.282 0.000 0.872 248 R CB 2.328 32.298 30.300 -0.551 0.000 1.177 248 R HN 0.649 nan 8.270 nan 0.000 0.444 249 S N 3.795 119.468 115.700 -0.045 0.000 2.457 249 S HA 0.495 4.963 4.470 -0.004 0.000 0.289 249 S C -0.788 173.821 174.600 0.016 0.000 1.163 249 S CA -0.595 57.602 58.200 -0.006 0.000 1.078 249 S CB 0.380 63.574 63.200 -0.010 0.000 0.987 249 S HN 0.339 nan 8.310 nan 0.000 0.482 250 L N 4.622 125.857 121.223 0.021 0.000 2.346 250 L HA 0.583 4.921 4.340 -0.004 0.000 0.276 250 L C 0.329 177.247 176.870 0.079 0.000 1.006 250 L CA -0.342 54.500 54.840 0.004 0.000 0.817 250 L CB 1.774 43.732 42.059 -0.168 0.000 1.272 250 L HN 0.660 nan 8.230 nan 0.000 0.421 251 R N 2.236 122.838 120.500 0.170 0.000 2.204 251 R HA 0.416 4.754 4.340 -0.004 0.000 0.341 251 R C 0.160 176.572 176.300 0.186 0.000 1.035 251 R CA -0.144 56.033 56.100 0.128 0.000 0.887 251 R CB 0.707 31.043 30.300 0.060 0.000 1.114 251 R HN 0.618 nan 8.270 nan 0.000 0.473 252 V N 2.580 122.576 119.914 0.137 0.000 3.477 252 V HA 0.349 4.466 4.120 -0.004 0.000 0.297 252 V C -0.133 176.006 176.094 0.075 0.000 1.433 252 V CA -0.217 62.164 62.300 0.136 0.000 1.052 252 V CB 0.031 31.926 31.823 0.121 0.000 0.895 252 V HN 0.443 nan 8.190 nan 0.000 0.438 253 L N 2.643 123.900 121.223 0.056 0.000 2.362 253 L HA 0.604 4.941 4.340 -0.004 0.000 0.271 253 L C 0.007 176.889 176.870 0.019 0.000 1.002 253 L CA -0.711 54.146 54.840 0.028 0.000 0.818 253 L CB 1.999 44.067 42.059 0.014 0.000 1.298 253 L HN 0.351 nan 8.230 nan 0.000 0.420 254 N N 0.087 118.791 118.700 0.007 0.000 2.381 254 N HA 0.099 4.836 4.740 -0.004 0.000 0.289 254 N C 0.817 176.328 175.510 0.001 0.000 1.288 254 N CA -0.531 52.521 53.050 0.003 0.000 0.960 254 N CB -0.076 38.410 38.487 -0.001 0.000 1.116 254 N HN 0.584 nan 8.380 nan 0.000 0.557 255 c N -1.124 117.477 118.600 0.001 0.000 2.425 255 c HA -0.058 4.510 4.570 -0.004 0.000 0.277 255 c C 2.062 176.150 174.090 -0.002 0.000 1.280 255 c CA 0.683 57.014 56.329 0.003 0.000 1.744 255 c CB -1.366 41.145 42.510 0.003 0.000 1.989 255 c HN 0.674 nan 8.230 nan 0.000 0.491 256 Q N 0.193 119.988 119.800 -0.008 0.000 2.373 256 Q HA 0.259 4.596 4.340 -0.004 0.000 0.206 256 Q C 1.381 177.361 176.000 -0.033 0.000 0.942 256 Q CA 0.595 56.389 55.803 -0.014 0.000 0.953 256 Q CB -0.058 28.675 28.738 -0.008 0.000 1.022 256 Q HN 0.695 nan 8.270 nan 0.000 0.502 257 G N 1.850 110.624 108.800 -0.042 0.000 2.176 257 G HA2 -0.332 3.625 3.960 -0.004 0.000 0.252 257 G HA3 -0.332 3.625 3.960 -0.004 0.000 0.252 257 G C -0.154 174.705 174.900 -0.068 0.000 1.024 257 G CA 0.361 45.407 45.100 -0.090 0.000 0.755 257 G HN 0.270 nan 8.290 nan 0.000 0.507 258 K N 0.026 120.409 120.400 -0.028 0.000 2.323 258 K HA 0.654 4.972 4.320 -0.004 0.000 0.259 258 K C 0.827 177.429 176.600 0.003 0.000 0.947 258 K CA 0.048 56.329 56.287 -0.009 0.000 0.819 258 K CB 1.054 33.553 32.500 -0.003 0.000 1.109 258 K HN 0.361 nan 8.250 nan 0.000 0.429 259 G N 0.632 109.439 108.800 0.012 0.000 3.251 259 G HA2 0.567 4.525 3.960 -0.004 0.000 0.248 259 G HA3 0.567 4.525 3.960 -0.004 0.000 0.248 259 G C -0.995 173.918 174.900 0.023 0.000 1.320 259 G CA -0.587 44.527 45.100 0.023 0.000 0.982 259 G HN 0.586 nan 8.290 nan 0.000 0.575 260 T N -3.290 111.282 114.554 0.030 0.000 2.903 260 T HA 0.446 4.793 4.350 -0.004 0.000 0.299 260 T C 0.957 175.671 174.700 0.025 0.000 1.093 260 T CA -0.247 61.867 62.100 0.023 0.000 1.002 260 T CB 1.598 70.477 68.868 0.019 0.000 1.127 260 T HN 0.358 nan 8.240 nan 0.000 0.488 261 V N 1.986 121.907 119.914 0.011 0.000 2.282 261 V HA -0.221 3.897 4.120 -0.004 0.000 0.249 261 V C 3.102 179.203 176.094 0.012 0.000 1.057 261 V CA 2.891 65.192 62.300 0.002 0.000 1.032 261 V CB -1.182 30.629 31.823 -0.020 0.000 0.645 261 V HN 1.107 nan 8.190 nan 0.000 0.447 262 S N 0.749 116.459 115.700 0.016 0.000 2.368 262 S HA -0.123 4.344 4.470 -0.004 0.000 0.225 262 S C 2.125 176.762 174.600 0.062 0.000 1.030 262 S CA 1.545 59.762 58.200 0.028 0.000 0.999 262 S CB -1.073 62.140 63.200 0.021 0.000 0.844 262 S HN 0.554 nan 8.310 nan 0.000 0.459 263 G N 1.289 110.133 108.800 0.074 0.000 2.422 263 G HA2 -0.119 3.838 3.960 -0.004 0.000 0.218 263 G HA3 -0.119 3.838 3.960 -0.004 0.000 0.218 263 G C 1.492 176.491 174.900 0.165 0.000 1.146 263 G CA 1.404 46.586 45.100 0.136 0.000 0.769 263 G HN 0.570 nan 8.290 nan 0.000 0.547 264 T N 1.519 116.124 114.554 0.084 0.000 2.708 264 T HA -0.065 4.282 4.350 -0.004 0.000 0.266 264 T C 2.428 177.132 174.700 0.006 0.000 1.037 264 T CA 1.007 63.129 62.100 0.037 0.000 1.146 264 T CB -0.247 68.633 68.868 0.020 0.000 0.865 264 T HN 0.160 nan 8.240 nan 0.000 0.435 265 L N 0.203 121.438 121.223 0.021 0.000 2.042 265 L HA -0.088 4.250 4.340 -0.004 0.000 0.210 265 L C 2.445 179.330 176.870 0.026 0.000 1.076 265 L CA 1.332 56.178 54.840 0.010 0.000 0.749 265 L CB -0.594 41.474 42.059 0.015 0.000 0.893 265 L HN 0.267 nan 8.230 nan 0.000 0.432 266 I N -0.569 120.060 120.570 0.098 0.000 2.315 266 I HA -0.172 3.996 4.170 -0.004 0.000 0.248 266 I C 2.610 178.761 176.117 0.057 0.000 1.117 266 I CA 1.257 62.669 61.300 0.187 0.000 1.404 266 I CB -0.804 37.389 38.000 0.320 0.000 1.071 266 I HN 0.256 nan 8.210 nan 0.000 0.419 267 G N 1.108 109.768 108.800 -0.234 0.000 2.421 267 G HA2 -0.194 3.764 3.960 -0.004 0.000 0.216 267 G HA3 -0.194 3.764 3.960 -0.004 0.000 0.216 267 G C 1.715 176.377 174.900 -0.396 0.000 1.171 267 G CA 0.494 45.039 45.100 -0.925 0.000 0.775 267 G HN 0.256 nan 8.290 nan 0.000 0.543 268 L N 0.133 121.240 121.223 -0.193 0.000 2.079 268 L HA -0.094 4.243 4.340 -0.004 0.000 0.210 268 L C 2.776 179.587 176.870 -0.098 0.000 1.081 268 L CA 1.649 56.413 54.840 -0.127 0.000 0.752 268 L CB -0.302 41.709 42.059 -0.079 0.000 0.896 268 L HN 0.388 nan 8.230 nan 0.000 0.433 269 E N 0.021 120.190 120.200 -0.052 0.000 2.072 269 E HA -0.268 4.080 4.350 -0.004 0.000 0.191 269 E C 2.170 178.768 176.600 -0.005 0.000 0.985 269 E CA 1.011 57.401 56.400 -0.017 0.000 0.801 269 E CB -0.148 29.569 29.700 0.030 0.000 0.750 269 E HN 0.380 nan 8.360 nan 0.000 0.452 270 F N 1.199 121.061 119.950 -0.147 0.000 2.120 270 F HA -0.231 4.297 4.527 0.002 0.000 0.300 270 F C 1.881 177.576 175.800 -0.176 0.000 1.095 270 F CA 1.639 59.563 58.000 -0.126 0.000 1.249 270 F CB -0.039 38.836 39.000 -0.210 0.000 0.995 270 F HN 0.037 nan 8.300 nan 0.000 0.480 271 I N -0.191 120.345 120.570 -0.056 0.000 2.202 271 I HA -0.275 3.892 4.170 -0.004 0.000 0.242 271 I C 2.514 178.451 176.117 -0.300 0.000 1.091 271 I CA 1.240 62.361 61.300 -0.300 0.000 1.368 271 I CB -0.453 37.294 38.000 -0.421 0.000 1.058 271 I HN 0.054 nan 8.210 nan 0.000 0.410 272 R N 1.865 122.244 120.500 -0.200 0.000 2.091 272 R HA -0.222 4.116 4.340 -0.004 0.000 0.238 272 R C 2.127 178.334 176.300 -0.154 0.000 1.136 272 R CA 1.853 57.861 56.100 -0.154 0.000 0.959 272 R CB -0.573 29.665 30.300 -0.104 0.000 0.856 272 R HN 0.249 nan 8.270 nan 0.000 0.437 273 K N -0.237 120.056 120.400 -0.178 0.000 2.063 273 K HA -0.132 4.185 4.320 -0.004 0.000 0.208 273 K C 1.863 178.338 176.600 -0.208 0.000 1.048 273 K CA 1.954 58.129 56.287 -0.187 0.000 0.928 273 K CB -0.287 32.079 32.500 -0.223 0.000 0.713 273 K HN 0.375 nan 8.250 nan 0.000 0.442 274 S N -0.079 115.453 115.700 -0.280 0.000 2.461 274 S HA -0.138 4.329 4.470 -0.004 0.000 0.228 274 S C 2.032 176.566 174.600 -0.110 0.000 1.005 274 S CA 0.691 58.768 58.200 -0.205 0.000 0.942 274 S CB -0.034 63.039 63.200 -0.213 0.000 0.776 274 S HN 0.465 nan 8.310 nan 0.000 0.514 275 Q N 0.863 120.582 119.800 -0.134 0.000 2.020 275 Q HA -0.037 4.301 4.340 -0.004 0.000 0.202 275 Q C 2.150 178.112 176.000 -0.063 0.000 0.982 275 Q CA 1.606 57.358 55.803 -0.086 0.000 0.838 275 Q CB -0.271 28.404 28.738 -0.106 0.000 0.899 275 Q HN 0.635 nan 8.270 nan 0.000 0.423 276 L N -0.224 120.954 121.223 -0.075 0.000 2.093 276 L HA -0.141 4.196 4.340 -0.004 0.000 0.208 276 L C 2.414 179.254 176.870 -0.050 0.000 1.085 276 L CA 0.550 55.356 54.840 -0.057 0.000 0.755 276 L CB -0.205 41.818 42.059 -0.060 0.000 0.904 276 L HN 0.169 nan 8.230 nan 0.000 0.435 277 V N -0.404 119.472 119.914 -0.062 0.000 2.379 277 V HA -0.117 4.001 4.120 -0.004 0.000 0.243 277 V C 1.528 177.601 176.094 -0.034 0.000 1.035 277 V CA 1.870 64.139 62.300 -0.051 0.000 1.035 277 V CB 0.040 31.822 31.823 -0.068 0.000 0.673 277 V HN 0.568 nan 8.190 nan 0.000 0.457 278 Q N 1.343 121.126 119.800 -0.029 0.000 2.943 278 Q HA 0.475 4.812 4.340 -0.004 0.000 0.327 278 Q C -2.555 173.446 176.000 0.002 0.000 0.937 278 Q CA -1.541 54.257 55.803 -0.009 0.000 0.914 278 Q CB 0.135 28.873 28.738 -0.000 0.000 1.339 278 Q HN 0.599 nan 8.270 nan 0.000 0.417 279 P HA 0.723 nan 4.420 nan 0.000 0.280 279 P C 0.065 177.366 177.300 0.002 0.000 1.272 279 P CA 0.281 63.382 63.100 0.002 0.000 0.819 279 P CB 1.423 33.118 31.700 -0.007 0.000 1.122 280 V N -3.662 116.254 119.914 0.004 0.000 3.535 280 V HA 0.004 4.121 4.120 -0.004 0.000 0.506 280 V C 0.560 176.656 176.094 0.004 0.000 0.682 280 V CA 0.261 62.566 62.300 0.007 0.000 2.058 280 V CB -1.977 29.857 31.823 0.019 0.000 2.485 280 V HN 1.008 nan 8.190 nan 0.000 0.509 281 G N -0.074 108.729 108.800 0.006 0.000 2.560 281 G HA2 0.694 4.652 3.960 -0.004 0.000 0.212 281 G HA3 0.694 4.652 3.960 -0.004 0.000 0.212 281 G C -2.538 172.368 174.900 0.009 0.000 2.038 281 G CA 0.148 45.250 45.100 0.003 0.000 0.728 281 G HN 0.875 nan 8.290 nan 0.000 0.784 282 P HA 0.469 nan 4.420 nan 0.000 0.271 282 P C -1.257 176.060 177.300 0.028 0.000 1.226 282 P CA 0.022 63.128 63.100 0.009 0.000 0.765 282 P CB 1.363 33.062 31.700 -0.001 0.000 0.835 283 L N 4.905 126.148 121.223 0.032 0.000 2.406 283 L HA 0.392 4.729 4.340 -0.004 0.000 0.272 283 L C -0.841 176.064 176.870 0.057 0.000 0.980 283 L CA -0.582 54.300 54.840 0.069 0.000 0.831 283 L CB 2.180 44.268 42.059 0.047 0.000 1.253 283 L HN 0.084 nan 8.230 nan 0.000 0.406 284 V N 4.935 124.902 119.914 0.088 0.000 2.513 284 V HA 0.678 4.795 4.120 -0.004 0.000 0.299 284 V C -0.582 175.580 176.094 0.113 0.000 1.035 284 V CA -0.752 61.586 62.300 0.064 0.000 0.889 284 V CB 2.079 33.918 31.823 0.027 0.000 0.988 284 V HN 0.416 nan 8.190 nan 0.000 0.440 285 V N 5.426 125.381 119.914 0.069 0.000 2.483 285 V HA 0.457 4.575 4.120 -0.004 0.000 0.297 285 V C -0.675 175.447 176.094 0.046 0.000 1.027 285 V CA -0.593 61.752 62.300 0.076 0.000 0.855 285 V CB 1.736 33.570 31.823 0.018 0.000 0.995 285 V HN 0.651 nan 8.190 nan 0.000 0.424 286 L N 6.581 127.836 121.223 0.052 0.000 2.272 286 L HA 0.619 4.957 4.340 -0.004 0.000 0.289 286 L C -0.619 176.273 176.870 0.036 0.000 1.032 286 L CA 0.051 54.911 54.840 0.034 0.000 0.810 286 L CB 1.130 43.202 42.059 0.022 0.000 1.205 286 L HN 0.609 nan 8.230 nan 0.000 0.422 287 L N 8.256 129.500 121.223 0.034 0.000 2.506 287 L HA 0.418 4.756 4.340 -0.004 0.000 0.247 287 L C -1.863 175.040 176.870 0.055 0.000 1.141 287 L CA -1.053 53.811 54.840 0.040 0.000 0.973 287 L CB 1.047 43.124 42.059 0.029 0.000 1.319 287 L HN 0.509 nan 8.230 nan 0.000 0.455 288 P HA 0.128 nan 4.420 nan 0.000 0.237 288 P C -0.942 176.439 177.300 0.135 0.000 1.723 288 P CA -0.008 63.160 63.100 0.114 0.000 0.882 288 P CB -0.164 31.625 31.700 0.149 0.000 1.810 289 L N -2.945 118.328 121.223 0.084 0.000 2.403 289 L HA 1.025 5.363 4.340 -0.004 0.000 0.253 289 L C -1.093 175.824 176.870 0.078 0.000 1.045 289 L CA -1.438 53.443 54.840 0.068 0.000 0.845 289 L CB 1.284 43.377 42.059 0.057 0.000 1.447 289 L HN -0.127 nan 8.230 nan 0.000 0.411 290 A N -0.833 122.049 122.820 0.104 0.000 2.574 290 A HA 0.971 5.289 4.320 -0.004 0.000 0.297 290 A C -0.546 177.146 177.584 0.179 0.000 1.062 290 A CA 0.099 52.231 52.037 0.158 0.000 0.686 290 A CB 1.419 20.541 19.000 0.202 0.000 1.285 290 A HN 1.326 nan 8.150 nan 0.000 0.403 291 G N -0.369 108.536 108.800 0.174 0.000 3.105 291 G HA2 0.701 4.659 3.960 -0.004 0.000 0.277 291 G HA3 0.701 4.659 3.960 -0.004 0.000 0.277 291 G C 0.278 175.281 174.900 0.172 0.000 1.375 291 G CA -0.108 45.078 45.100 0.143 0.000 0.962 291 G HN 1.431 nan 8.290 nan 0.000 0.541 292 G N -1.634 107.191 108.800 0.042 0.000 2.614 292 G HA2 0.356 4.313 3.960 -0.004 0.000 0.239 292 G HA3 0.356 4.313 3.960 -0.004 0.000 0.239 292 G C -0.176 174.693 174.900 -0.052 0.000 1.240 292 G CA -0.219 44.832 45.100 -0.082 0.000 0.842 292 G HN 0.732 nan 8.290 nan 0.000 0.584 293 Y N 1.039 121.221 120.300 -0.196 0.000 2.916 293 Y HA 0.199 4.747 4.550 -0.003 0.000 0.344 293 Y C 0.642 176.500 175.900 -0.071 0.000 1.282 293 Y CA 0.575 58.602 58.100 -0.120 0.000 1.604 293 Y CB 0.329 38.703 38.460 -0.142 0.000 1.207 293 Y HN 0.389 nan 8.280 nan 0.000 0.561 294 S N 6.716 121.979 115.700 -0.729 0.000 2.707 294 S HA 0.361 4.828 4.470 -0.004 0.000 0.312 294 S C 0.860 175.023 174.600 -0.730 0.000 1.116 294 S CA -0.856 56.970 58.200 -0.623 0.000 1.078 294 S CB 0.879 63.916 63.200 -0.272 0.000 0.997 294 S HN 0.953 nan 8.310 nan 0.000 0.477 295 R N 3.033 123.114 120.500 -0.698 0.000 2.103 295 R HA -0.090 4.247 4.340 -0.004 0.000 0.242 295 R C 1.975 178.165 176.300 -0.184 0.000 1.142 295 R CA 2.216 58.105 56.100 -0.351 0.000 0.960 295 R CB -0.471 29.735 30.300 -0.157 0.000 0.858 295 R HN 0.601 nan 8.270 nan 0.000 0.439 296 V N -0.011 119.808 119.914 -0.158 0.000 2.535 296 V HA -0.110 4.007 4.120 -0.004 0.000 0.246 296 V C 1.875 177.920 176.094 -0.082 0.000 1.045 296 V CA 1.233 63.478 62.300 -0.092 0.000 1.058 296 V CB -0.153 31.630 31.823 -0.067 0.000 0.689 296 V HN 0.312 nan 8.190 nan 0.000 0.461 297 L N 1.325 122.486 121.223 -0.105 0.000 1.970 297 L HA -0.167 4.171 4.340 -0.004 0.000 0.212 297 L C 2.187 179.019 176.870 -0.064 0.000 1.071 297 L CA 2.417 57.212 54.840 -0.075 0.000 0.751 297 L CB -1.344 40.670 42.059 -0.075 0.000 0.889 297 L HN 0.380 nan 8.230 nan 0.000 0.432 298 N N -0.081 118.566 118.700 -0.087 0.000 2.192 298 N HA -0.182 4.555 4.740 -0.004 0.000 0.188 298 N C 1.749 177.247 175.510 -0.019 0.000 1.013 298 N CA 1.551 54.579 53.050 -0.036 0.000 0.863 298 N CB -0.476 38.003 38.487 -0.013 0.000 0.990 298 N HN 0.565 nan 8.380 nan 0.000 0.430 299 A N 0.424 123.224 122.820 -0.033 0.000 1.872 299 A HA 0.146 4.464 4.320 -0.004 0.000 0.214 299 A C 2.303 179.875 177.584 -0.020 0.000 1.187 299 A CA 1.621 53.646 52.037 -0.020 0.000 0.614 299 A CB -0.939 18.046 19.000 -0.024 0.000 0.826 299 A HN 0.289 nan 8.150 nan 0.000 0.442 300 A N -0.790 122.014 122.820 -0.027 0.000 1.908 300 A HA -0.191 4.126 4.320 -0.004 0.000 0.218 300 A C 2.301 179.869 177.584 -0.026 0.000 1.181 300 A CA 1.763 53.784 52.037 -0.027 0.000 0.627 300 A CB -1.306 17.677 19.000 -0.029 0.000 0.818 300 A HN 0.601 nan 8.150 nan 0.000 0.445 301 C N -1.146 118.141 119.300 -0.022 0.000 2.432 301 C HA -0.125 4.332 4.460 -0.004 0.000 0.277 301 C C 2.846 177.829 174.990 -0.012 0.000 1.249 301 C CA 1.247 60.255 59.018 -0.017 0.000 1.725 301 C CB -1.292 26.444 27.740 -0.007 0.000 2.028 301 C HN 0.786 nan 8.230 nan 0.000 0.477 302 Q N 0.851 120.647 119.800 -0.007 0.000 2.096 302 Q HA -0.280 4.058 4.340 -0.004 0.000 0.204 302 Q C 2.358 178.352 176.000 -0.010 0.000 0.982 302 Q CA 1.950 57.751 55.803 -0.003 0.000 0.850 302 Q CB -0.191 28.549 28.738 0.003 0.000 0.901 302 Q HN 0.573 nan 8.270 nan 0.000 0.422 303 R N 0.040 120.531 120.500 -0.015 0.000 2.096 303 R HA -0.124 4.213 4.340 -0.004 0.000 0.235 303 R C 2.014 178.299 176.300 -0.025 0.000 1.127 303 R CA 1.187 57.276 56.100 -0.018 0.000 0.968 303 R CB -0.575 29.713 30.300 -0.020 0.000 0.861 303 R HN 0.376 nan 8.270 nan 0.000 0.440 304 L N 0.007 121.212 121.223 -0.030 0.000 2.156 304 L HA 0.200 4.537 4.340 -0.004 0.000 0.208 304 L C 2.077 178.927 176.870 -0.032 0.000 1.095 304 L CA 1.783 56.599 54.840 -0.040 0.000 0.770 304 L CB -0.642 41.387 42.059 -0.050 0.000 0.914 304 L HN 0.295 nan 8.230 nan 0.000 0.439 305 A N -0.552 122.255 122.820 -0.022 0.000 1.902 305 A HA -0.205 4.112 4.320 -0.004 0.000 0.217 305 A C 2.384 179.960 177.584 -0.014 0.000 1.181 305 A CA 1.508 53.537 52.037 -0.015 0.000 0.623 305 A CB -0.499 18.496 19.000 -0.007 0.000 0.818 305 A HN 0.423 nan 8.150 nan 0.000 0.443 306 R N -0.519 119.973 120.500 -0.013 0.000 2.139 306 R HA -0.139 4.198 4.340 -0.004 0.000 0.243 306 R C 2.027 178.317 176.300 -0.015 0.000 1.145 306 R CA 1.182 57.275 56.100 -0.012 0.000 0.976 306 R CB -0.421 29.872 30.300 -0.011 0.000 0.866 306 R HN 0.498 nan 8.270 nan 0.000 0.449 307 A N -0.094 122.713 122.820 -0.022 0.000 2.235 307 A HA 0.202 4.519 4.320 -0.004 0.000 0.208 307 A C 1.291 178.861 177.584 -0.023 0.000 1.172 307 A CA 0.775 52.797 52.037 -0.025 0.000 0.786 307 A CB -0.054 18.925 19.000 -0.035 0.000 0.804 307 A HN 0.466 nan 8.150 nan 0.000 0.479 308 G N -1.571 107.218 108.800 -0.019 0.000 2.132 308 G HA2 -0.178 3.779 3.960 -0.004 0.000 0.234 308 G HA3 -0.178 3.779 3.960 -0.004 0.000 0.234 308 G C 0.109 175.000 174.900 -0.016 0.000 0.989 308 G CA 0.046 45.137 45.100 -0.015 0.000 0.676 308 G HN 0.706 nan 8.290 nan 0.000 0.522 309 V N 0.913 120.814 119.914 -0.022 0.000 2.614 309 V HA 0.406 4.523 4.120 -0.004 0.000 0.291 309 V C 1.082 177.168 176.094 -0.013 0.000 1.049 309 V CA -0.419 61.867 62.300 -0.023 0.000 1.038 309 V CB 1.760 33.557 31.823 -0.044 0.000 0.980 309 V HN 0.287 nan 8.190 nan 0.000 0.481 310 V N 7.124 127.034 119.914 -0.005 0.000 2.408 310 V HA 0.319 4.437 4.120 -0.004 0.000 0.267 310 V C -0.034 176.061 176.094 0.001 0.000 1.047 310 V CA -0.235 62.064 62.300 -0.002 0.000 0.937 310 V CB 0.742 32.565 31.823 -0.001 0.000 0.999 310 V HN 0.572 nan 8.190 nan 0.000 0.472 311 L N 6.062 127.285 121.223 0.000 0.000 2.296 311 L HA 0.663 5.001 4.340 -0.004 0.000 0.286 311 L C -0.532 176.343 176.870 0.008 0.000 1.023 311 L CA -0.461 54.380 54.840 0.003 0.000 0.812 311 L CB 1.907 43.965 42.059 -0.002 0.000 1.223 311 L HN 0.388 nan 8.230 nan 0.000 0.421 312 V N 1.675 121.595 119.914 0.011 0.000 2.483 312 V HA 0.622 4.739 4.120 -0.004 0.000 0.297 312 V C -0.140 175.964 176.094 0.017 0.000 1.027 312 V CA -0.416 61.892 62.300 0.013 0.000 0.855 312 V CB 1.706 33.536 31.823 0.012 0.000 0.995 312 V HN 0.782 nan 8.190 nan 0.000 0.424 313 T N 2.899 117.462 114.554 0.016 0.000 2.906 313 T HA 0.764 5.112 4.350 -0.004 0.000 0.295 313 T C -0.090 174.618 174.700 0.013 0.000 1.075 313 T CA 0.093 62.206 62.100 0.022 0.000 1.005 313 T CB 1.779 70.663 68.868 0.028 0.000 1.136 313 T HN 1.093 nan 8.240 nan 0.000 0.498 314 A N 1.458 124.290 122.820 0.020 0.000 2.462 314 A HA 0.592 4.909 4.320 -0.004 0.000 0.243 314 A C 1.482 179.061 177.584 -0.009 0.000 1.076 314 A CA 0.328 52.366 52.037 0.003 0.000 0.773 314 A CB -0.169 18.839 19.000 0.014 0.000 1.010 314 A HN 1.160 nan 8.150 nan 0.000 0.493 315 A N 1.812 124.604 122.820 -0.046 0.000 2.167 315 A HA 0.474 4.792 4.320 -0.004 0.000 0.214 315 A C 1.436 178.990 177.584 -0.051 0.000 1.151 315 A CA 1.284 53.292 52.037 -0.048 0.000 0.735 315 A CB -1.041 17.894 19.000 -0.109 0.000 0.802 315 A HN 2.857 nan 8.150 nan 0.000 0.467 316 G N -0.852 107.896 108.800 -0.086 0.000 2.692 316 G HA2 -0.110 3.847 3.960 -0.004 0.000 0.686 316 G HA3 -0.110 3.847 3.960 -0.004 0.000 0.686 316 G C -0.535 174.162 174.900 -0.337 0.000 1.243 316 G CA -0.250 44.733 45.100 -0.193 0.000 0.782 316 G HN 0.267 nan 8.290 nan 0.000 0.625 317 N N 0.194 118.457 118.700 -0.728 0.000 2.451 317 N HA 0.295 5.032 4.740 -0.004 0.000 0.264 317 N C 0.448 175.537 175.510 -0.702 0.000 1.167 317 N CA -0.040 52.641 53.050 -0.615 0.000 0.898 317 N CB -0.062 38.106 38.487 -0.532 0.000 1.176 317 N HN 0.417 nan 8.380 nan 0.000 0.507 318 F N 0.149 120.007 119.950 -0.154 0.000 2.639 318 F HA 0.337 4.860 4.527 -0.007 0.000 0.302 318 F C 0.846 176.653 175.800 0.013 0.000 1.097 318 F CA -0.567 57.372 58.000 -0.102 0.000 1.294 318 F CB 0.277 39.156 39.000 -0.202 0.000 1.027 318 F HN -0.184 nan 8.300 nan 0.000 0.550 319 R N 2.121 122.720 120.500 0.165 0.000 3.184 319 R HA -0.231 4.106 4.340 -0.004 0.000 0.242 319 R C -0.920 175.619 176.300 0.397 0.000 0.907 319 R CA 0.820 57.105 56.100 0.310 0.000 0.618 319 R CB -1.498 28.947 30.300 0.242 0.000 1.016 319 R HN 0.369 nan 8.270 nan 0.000 0.469 320 D N -0.842 119.618 120.400 0.100 0.000 2.610 320 D HA 0.154 4.792 4.640 -0.004 0.000 0.271 320 D C -1.209 174.611 176.300 -0.800 0.000 1.174 320 D CA -0.654 53.271 54.000 -0.124 0.000 0.949 320 D CB 1.148 42.056 40.800 0.181 0.000 1.430 320 D HN 0.021 nan 8.370 nan 0.000 0.467 321 D N 0.223 120.287 120.400 -0.561 0.000 2.339 321 D HA 0.311 4.948 4.640 -0.004 0.000 0.256 321 D C 0.626 176.859 176.300 -0.113 0.000 1.214 321 D CA -0.137 53.563 54.000 -0.499 0.000 0.877 321 D CB 1.381 42.053 40.800 -0.214 0.000 1.111 321 D HN 0.378 nan 8.370 nan 0.000 0.478 322 A N 3.568 126.330 122.820 -0.096 0.000 2.019 322 A HA -0.175 4.142 4.320 -0.004 0.000 0.219 322 A C 2.385 180.054 177.584 0.141 0.000 1.164 322 A CA 0.977 53.079 52.037 0.108 0.000 0.644 322 A CB -0.680 18.336 19.000 0.027 0.000 0.805 322 A HN 0.801 nan 8.150 nan 0.000 0.449 323 c N -0.675 117.940 118.600 0.024 0.000 2.400 323 c HA -0.086 4.481 4.570 -0.004 0.000 0.291 323 c C 2.167 176.207 174.090 -0.084 0.000 1.372 323 c CA 0.881 57.196 56.329 -0.023 0.000 1.800 323 c CB -1.634 40.835 42.510 -0.069 0.000 1.869 323 c HN 0.606 nan 8.230 nan 0.000 0.533 324 L N -1.627 119.515 121.223 -0.135 0.000 2.599 324 L HA 0.105 4.442 4.340 -0.004 0.000 0.230 324 L C -0.095 176.394 176.870 -0.634 0.000 1.141 324 L CA 0.488 55.089 54.840 -0.399 0.000 0.877 324 L CB -0.361 41.367 42.059 -0.551 0.000 1.009 324 L HN 0.382 nan 8.230 nan 0.000 0.447 325 Y N -1.802 118.534 120.300 0.061 0.000 2.536 325 Y HA 0.492 5.039 4.550 -0.005 0.000 0.347 325 Y C 0.180 176.139 175.900 0.098 0.000 1.000 325 Y CA -0.844 57.296 58.100 0.066 0.000 1.051 325 Y CB 2.002 40.500 38.460 0.064 0.000 1.259 325 Y HN -0.288 nan 8.280 nan 0.000 0.468 326 S N 1.954 117.774 115.700 0.200 0.000 2.526 326 S HA 0.340 4.807 4.470 -0.004 0.000 0.293 326 S C -2.397 172.262 174.600 0.099 0.000 1.092 326 S CA -1.344 56.922 58.200 0.110 0.000 0.980 326 S CB 1.965 65.159 63.200 -0.011 0.000 1.048 326 S HN 0.406 nan 8.310 nan 0.000 0.483 327 P HA 0.143 nan 4.420 nan 0.000 0.245 327 P C 1.027 178.374 177.300 0.078 0.000 1.212 327 P CA 0.190 63.325 63.100 0.058 0.000 0.774 327 P CB -0.042 31.679 31.700 0.036 0.000 0.999 328 A N 0.961 123.845 122.820 0.107 0.000 1.958 328 A HA -0.250 4.067 4.320 -0.004 0.000 0.221 328 A C 2.292 179.932 177.584 0.093 0.000 1.178 328 A CA 2.523 54.617 52.037 0.096 0.000 0.642 328 A CB -1.553 17.523 19.000 0.126 0.000 0.816 328 A HN 0.388 nan 8.150 nan 0.000 0.453 329 S N -0.581 115.197 115.700 0.131 0.000 2.561 329 S HA 0.450 4.918 4.470 -0.004 0.000 0.225 329 S C 0.915 175.579 174.600 0.107 0.000 0.977 329 S CA 0.394 58.667 58.200 0.122 0.000 0.926 329 S CB -0.607 62.700 63.200 0.178 0.000 0.769 329 S HN 0.994 nan 8.310 nan 0.000 0.533 330 A N 4.255 127.131 122.820 0.094 0.000 2.444 330 A HA 0.519 4.836 4.320 -0.004 0.000 0.273 330 A C -1.894 175.719 177.584 0.048 0.000 1.136 330 A CA -1.483 50.597 52.037 0.071 0.000 0.799 330 A CB -0.157 18.873 19.000 0.050 0.000 1.081 330 A HN 0.403 nan 8.150 nan 0.000 0.509 331 P HA 0.042 nan 4.420 nan 0.000 0.273 331 P C 0.469 177.784 177.300 0.026 0.000 1.250 331 P CA 0.508 63.627 63.100 0.031 0.000 0.793 331 P CB 0.496 32.213 31.700 0.028 0.000 1.011 332 E N -3.174 117.038 120.200 0.020 0.000 3.870 332 E HA -0.184 4.163 4.350 -0.004 0.000 0.329 332 E C -1.329 175.279 176.600 0.012 0.000 0.702 332 E CA 0.957 57.366 56.400 0.014 0.000 1.174 332 E CB -2.177 27.530 29.700 0.012 0.000 1.619 332 E HN 0.186 nan 8.360 nan 0.000 0.441 333 V N 2.007 121.931 119.914 0.016 0.000 2.513 333 V HA 0.457 4.575 4.120 -0.004 0.000 0.299 333 V C 0.765 176.867 176.094 0.014 0.000 1.035 333 V CA -0.555 61.754 62.300 0.014 0.000 0.889 333 V CB 1.568 33.401 31.823 0.018 0.000 0.988 333 V HN 0.206 nan 8.190 nan 0.000 0.440 334 I N 3.940 124.517 120.570 0.011 0.000 2.421 334 I HA 0.171 4.338 4.170 -0.004 0.000 0.291 334 I C 0.372 176.490 176.117 0.002 0.000 1.089 334 I CA 0.409 61.714 61.300 0.009 0.000 1.354 334 I CB 0.490 38.497 38.000 0.012 0.000 1.413 334 I HN 0.548 nan 8.210 nan 0.000 0.513 335 T N 6.398 120.947 114.554 -0.009 0.000 2.749 335 T HA 0.411 4.758 4.350 -0.004 0.000 0.287 335 T C -0.029 174.623 174.700 -0.080 0.000 0.970 335 T CA -0.442 61.641 62.100 -0.029 0.000 0.980 335 T CB 1.311 70.167 68.868 -0.020 0.000 0.924 335 T HN 0.202 nan 8.240 nan 0.000 0.456 336 V N 3.132 122.993 119.914 -0.089 0.000 2.417 336 V HA 0.725 4.843 4.120 -0.004 0.000 0.291 336 V C 0.800 176.763 176.094 -0.219 0.000 1.024 336 V CA -0.830 61.390 62.300 -0.133 0.000 0.861 336 V CB 1.609 33.408 31.823 -0.039 0.000 0.985 336 V HN 0.985 nan 8.190 nan 0.000 0.436 337 G N 2.678 111.185 108.800 -0.488 0.000 2.488 337 G HA2 0.687 4.645 3.960 -0.004 0.000 0.318 337 G HA3 0.687 4.645 3.960 -0.004 0.000 0.318 337 G C -0.470 174.382 174.900 -0.081 0.000 1.188 337 G CA -0.381 44.413 45.100 -0.511 0.000 0.944 337 G HN 1.084 nan 8.290 nan 0.000 0.495 338 A N 0.448 123.373 122.820 0.175 0.000 2.271 338 A HA 0.734 5.052 4.320 -0.004 0.000 0.317 338 A C 0.525 178.320 177.584 0.351 0.000 1.245 338 A CA -0.262 51.922 52.037 0.245 0.000 0.857 338 A CB 0.535 19.622 19.000 0.144 0.000 1.175 338 A HN 1.155 nan 8.150 nan 0.000 0.512 339 T N 0.398 115.135 114.554 0.304 0.000 2.945 339 T HA 0.599 4.947 4.350 -0.004 0.000 0.286 339 T C 0.287 175.092 174.700 0.174 0.000 1.025 339 T CA -0.705 61.506 62.100 0.184 0.000 1.039 339 T CB 1.114 70.056 68.868 0.124 0.000 1.068 339 T HN 0.743 nan 8.240 nan 0.000 0.497 340 N N 0.692 119.417 118.700 0.042 0.000 2.645 340 N HA 0.516 5.254 4.740 -0.004 0.000 0.308 340 N C 1.599 176.871 175.510 -0.396 0.000 1.335 340 N CA -0.349 52.635 53.050 -0.108 0.000 0.909 340 N CB -0.447 37.950 38.487 -0.150 0.000 1.109 340 N HN 0.694 nan 8.380 nan 0.000 0.555 341 A N -1.335 121.013 122.820 -0.787 0.000 1.969 341 A HA -0.117 4.200 4.320 -0.004 0.000 0.218 341 A C 1.370 178.734 177.584 -0.367 0.000 1.169 341 A CA 1.268 52.711 52.037 -0.989 0.000 0.635 341 A CB -0.781 17.636 19.000 -0.972 0.000 0.810 341 A HN 0.670 nan 8.150 nan 0.000 0.445 342 Q N -0.205 119.447 119.800 -0.248 0.000 2.228 342 Q HA 0.196 4.534 4.340 -0.004 0.000 0.211 342 Q C -0.260 175.686 176.000 -0.091 0.000 0.890 342 Q CA 0.383 56.105 55.803 -0.135 0.000 0.953 342 Q CB 0.099 28.764 28.738 -0.121 0.000 1.053 342 Q HN 0.467 nan 8.270 nan 0.000 0.471 343 D N 0.040 120.398 120.400 -0.069 0.000 2.945 343 D HA -0.146 4.492 4.640 -0.004 0.000 0.225 343 D C -0.723 175.528 176.300 -0.082 0.000 1.158 343 D CA 0.757 54.736 54.000 -0.035 0.000 0.805 343 D CB -0.194 40.591 40.800 -0.024 0.000 1.098 343 D HN 0.262 nan 8.370 nan 0.000 0.426 344 Q N -0.569 119.178 119.800 -0.088 0.000 2.248 344 Q HA 0.500 4.838 4.340 -0.004 0.000 0.263 344 Q C -2.300 173.652 176.000 -0.080 0.000 1.007 344 Q CA -1.714 54.026 55.803 -0.105 0.000 0.877 344 Q CB 0.864 29.547 28.738 -0.091 0.000 1.315 344 Q HN 0.024 nan 8.270 nan 0.000 0.454 345 P HA -0.065 nan 4.420 nan 0.000 0.261 345 P C -0.425 176.894 177.300 0.031 0.000 1.173 345 P CA 0.226 63.324 63.100 -0.003 0.000 0.760 345 P CB 0.322 32.019 31.700 -0.005 0.000 0.783 346 V N 4.766 124.728 119.914 0.081 0.000 2.572 346 V HA 0.026 4.144 4.120 -0.004 0.000 0.291 346 V C 0.932 177.050 176.094 0.041 0.000 1.039 346 V CA 0.642 62.974 62.300 0.054 0.000 1.055 346 V CB 0.387 32.257 31.823 0.078 0.000 0.969 346 V HN 0.522 nan 8.190 nan 0.000 0.482 347 T N 7.058 121.621 114.554 0.015 0.000 2.817 347 T HA 0.544 4.891 4.350 -0.004 0.000 0.293 347 T C 0.349 175.052 174.700 0.004 0.000 0.964 347 T CA -0.090 62.017 62.100 0.011 0.000 1.085 347 T CB 0.774 69.642 68.868 -0.001 0.000 0.921 347 T HN 0.392 nan 8.240 nan 0.000 0.502 348 L N 1.934 123.156 121.223 -0.001 0.000 2.665 348 L HA 0.570 4.907 4.340 -0.004 0.000 0.201 348 L C 2.182 179.046 176.870 -0.011 0.000 1.805 348 L CA -0.534 54.297 54.840 -0.015 0.000 3.015 348 L CB -0.586 41.447 42.059 -0.044 0.000 2.866 348 L HN 0.739 nan 8.230 nan 0.000 0.765 349 G N -0.450 108.340 108.800 -0.016 0.000 2.609 349 G HA2 -0.154 3.803 3.960 -0.004 0.000 0.167 349 G HA3 -0.154 3.803 3.960 -0.004 0.000 0.167 349 G C 0.964 175.869 174.900 0.008 0.000 1.668 349 G CA 0.983 46.081 45.100 -0.003 0.000 0.886 349 G HN 0.557 nan 8.290 nan 0.000 0.378 350 T N -0.835 113.730 114.554 0.018 0.000 3.235 350 T HA 0.545 4.892 4.350 -0.004 0.000 0.251 350 T C 0.914 175.639 174.700 0.041 0.000 1.060 350 T CA -0.103 62.014 62.100 0.028 0.000 0.949 350 T CB -0.285 68.603 68.868 0.033 0.000 1.020 350 T HN 0.160 nan 8.240 nan 0.000 0.564 351 L N -0.624 120.618 121.223 0.031 0.000 2.931 351 L HA 0.882 5.219 4.340 -0.004 0.000 0.225 351 L C 0.965 177.852 176.870 0.029 0.000 1.998 351 L CA -0.696 54.171 54.840 0.044 0.000 2.541 351 L CB 0.450 42.534 42.059 0.041 0.000 2.490 351 L HN 0.432 nan 8.230 nan 0.000 0.610 352 G N -0.703 108.099 108.800 0.003 0.000 2.362 352 G HA2 0.108 4.065 3.960 -0.004 0.000 0.288 352 G HA3 0.108 4.065 3.960 -0.004 0.000 0.288 352 G C -1.125 173.790 174.900 0.025 0.000 1.305 352 G CA -0.171 44.940 45.100 0.017 0.000 0.910 352 G HN 0.401 nan 8.290 nan 0.000 0.518 353 T N 0.239 114.843 114.554 0.083 0.000 2.932 353 T HA 0.378 4.725 4.350 -0.004 0.000 0.312 353 T C 0.817 175.622 174.700 0.175 0.000 1.071 353 T CA 0.161 62.327 62.100 0.109 0.000 1.128 353 T CB -0.109 68.886 68.868 0.212 0.000 0.984 353 T HN 0.551 nan 8.240 nan 0.000 0.549 354 N N 1.786 120.534 118.700 0.079 0.000 2.381 354 N HA 0.556 5.293 4.740 -0.004 0.000 0.254 354 N C -0.466 175.159 175.510 0.192 0.000 1.264 354 N CA -0.299 52.778 53.050 0.045 0.000 0.942 354 N CB 0.310 38.752 38.487 -0.074 0.000 1.190 354 N HN 0.653 nan 8.380 nan 0.000 0.495 355 F N -3.119 116.916 119.950 0.142 0.000 2.715 355 F HA 0.859 5.384 4.527 -0.004 0.000 0.318 355 F C 0.429 176.315 175.800 0.143 0.000 1.141 355 F CA -0.644 57.472 58.000 0.193 0.000 0.950 355 F CB 0.905 40.027 39.000 0.203 0.000 1.374 355 F HN 0.680 nan 8.300 nan 0.000 0.477 356 G N 0.981 110.030 108.800 0.416 0.000 2.422 356 G HA2 -0.043 3.915 3.960 -0.004 0.000 0.607 356 G HA3 -0.043 3.915 3.960 -0.004 0.000 0.607 356 G C 0.100 175.099 174.900 0.164 0.000 1.270 356 G CA -0.326 44.941 45.100 0.278 0.000 0.992 356 G HN 1.319 nan 8.290 nan 0.000 0.499 357 R N -1.196 119.372 120.500 0.114 0.000 2.241 357 R HA 0.032 4.370 4.340 -0.004 0.000 0.224 357 R C 2.001 178.335 176.300 0.057 0.000 1.101 357 R CA 2.001 58.150 56.100 0.082 0.000 0.995 357 R CB -0.693 29.643 30.300 0.060 0.000 0.870 357 R HN 0.423 nan 8.270 nan 0.000 0.463 358 c N 1.020 119.646 118.600 0.042 0.000 2.562 358 c HA 0.232 4.800 4.570 -0.004 0.000 0.266 358 c C 0.720 174.817 174.090 0.012 0.000 1.382 358 c CA -0.411 55.934 56.329 0.027 0.000 1.742 358 c CB -0.263 42.261 42.510 0.024 0.000 1.812 358 c HN 0.198 nan 8.230 nan 0.000 0.559 359 V N 2.347 122.265 119.914 0.007 0.000 2.385 359 V HA 0.126 4.243 4.120 -0.004 0.000 0.269 359 V C 0.619 176.693 176.094 -0.034 0.000 1.043 359 V CA 0.389 62.647 62.300 -0.070 0.000 0.906 359 V CB 0.864 32.589 31.823 -0.163 0.000 0.995 359 V HN 0.443 nan 8.190 nan 0.000 0.467 360 D N 4.391 124.767 120.400 -0.041 0.000 2.213 360 D HA 0.118 4.755 4.640 -0.004 0.000 0.205 360 D C 0.395 176.713 176.300 0.031 0.000 0.961 360 D CA 1.035 55.041 54.000 0.010 0.000 0.853 360 D CB 0.728 41.536 40.800 0.013 0.000 0.967 360 D HN 0.567 nan 8.370 nan 0.000 0.496 361 L N -3.996 117.209 121.223 -0.029 0.000 2.838 361 L HA 0.539 4.877 4.340 -0.004 0.000 0.266 361 L C -1.505 175.319 176.870 -0.076 0.000 1.040 361 L CA -1.140 53.736 54.840 0.059 0.000 0.906 361 L CB 1.375 43.496 42.059 0.104 0.000 1.501 361 L HN -0.358 nan 8.230 nan 0.000 0.407 362 F N 0.475 120.467 119.950 0.070 0.000 2.507 362 F HA 0.946 5.471 4.527 -0.004 0.000 0.327 362 F C 0.501 176.337 175.800 0.060 0.000 1.068 362 F CA -0.136 57.903 58.000 0.065 0.000 0.965 362 F CB 2.247 41.284 39.000 0.061 0.000 1.192 362 F HN 0.861 nan 8.300 nan 0.000 0.476 363 A N 1.824 124.774 122.820 0.218 0.000 2.609 363 A HA 0.762 5.080 4.320 -0.004 0.000 0.291 363 A C -3.022 174.588 177.584 0.044 0.000 1.096 363 A CA -1.977 50.106 52.037 0.077 0.000 0.684 363 A CB 1.345 20.378 19.000 0.055 0.000 1.282 363 A HN 0.387 nan 8.150 nan 0.000 0.412 364 P HA 0.239 nan 4.420 nan 0.000 0.262 364 P C 0.618 177.958 177.300 0.067 0.000 1.199 364 P CA 0.970 64.069 63.100 -0.002 0.000 0.763 364 P CB 0.591 31.949 31.700 -0.569 0.000 0.790 365 G N 2.374 111.320 108.800 0.243 0.000 4.299 365 G HA2 0.066 4.023 3.960 -0.004 0.000 0.290 365 G HA3 0.066 4.023 3.960 -0.004 0.000 0.290 365 G C -0.255 174.782 174.900 0.228 0.000 1.019 365 G CA 0.002 45.216 45.100 0.190 0.000 0.790 365 G HN 0.448 nan 8.290 nan 0.000 0.452 366 E N 1.512 121.938 120.200 0.376 0.000 2.187 366 E HA 0.316 4.664 4.350 -0.004 0.000 0.268 366 E C -0.671 176.165 176.600 0.392 0.000 0.896 366 E CA -0.637 55.927 56.400 0.274 0.000 0.766 366 E CB 0.928 30.688 29.700 0.100 0.000 1.142 366 E HN 0.132 nan 8.360 nan 0.000 0.408 367 D N 3.422 123.967 120.400 0.241 0.000 2.803 367 D HA -0.182 4.455 4.640 -0.004 0.000 0.233 367 D C -0.300 176.211 176.300 0.351 0.000 1.182 367 D CA 0.747 54.898 54.000 0.251 0.000 0.726 367 D CB -0.653 40.270 40.800 0.204 0.000 0.987 367 D HN 0.342 nan 8.370 nan 0.000 0.412 368 I N 1.340 122.076 120.570 0.277 0.000 2.352 368 I HA 0.230 4.397 4.170 -0.004 0.000 0.290 368 I C 1.346 177.629 176.117 0.276 0.000 1.036 368 I CA -0.714 60.716 61.300 0.216 0.000 1.336 368 I CB 0.573 38.675 38.000 0.170 0.000 1.407 368 I HN 0.022 nan 8.210 nan 0.000 0.497 369 I N 5.616 126.295 120.570 0.182 0.000 2.441 369 I HA 0.532 4.700 4.170 -0.004 0.000 0.287 369 I C 0.838 177.058 176.117 0.171 0.000 1.049 369 I CA 0.582 62.014 61.300 0.219 0.000 1.381 369 I CB 1.103 39.184 38.000 0.134 0.000 1.409 369 I HN 0.757 nan 8.210 nan 0.000 0.523 370 G N 3.699 112.645 108.800 0.243 0.000 2.506 370 G HA2 0.561 4.519 3.960 -0.004 0.000 0.292 370 G HA3 0.561 4.519 3.960 -0.004 0.000 0.292 370 G C -1.333 173.536 174.900 -0.051 0.000 1.425 370 G CA -0.534 44.551 45.100 -0.024 0.000 0.788 370 G HN 0.758 nan 8.290 nan 0.000 0.490 371 A N 0.288 122.859 122.820 -0.415 0.000 2.573 371 A HA 0.474 4.791 4.320 -0.004 0.000 0.250 371 A C 0.970 178.295 177.584 -0.431 0.000 1.049 371 A CA 1.314 52.844 52.037 -0.845 0.000 0.767 371 A CB -0.089 18.178 19.000 -1.222 0.000 0.965 371 A HN 1.841 nan 8.150 nan 0.000 0.514 372 S N 1.534 117.065 115.700 -0.282 0.000 2.541 372 S HA 0.411 4.879 4.470 -0.004 0.000 0.283 372 S C 1.181 175.779 174.600 -0.004 0.000 1.196 372 S CA -0.044 58.126 58.200 -0.049 0.000 1.062 372 S CB 0.812 64.041 63.200 0.049 0.000 1.009 372 S HN 1.463 nan 8.310 nan 0.000 0.502 373 S N 2.688 118.396 115.700 0.014 0.000 2.634 373 S HA 0.131 4.598 4.470 -0.004 0.000 0.221 373 S C 0.583 175.217 174.600 0.057 0.000 0.952 373 S CA -0.112 58.122 58.200 0.057 0.000 0.930 373 S CB -0.127 63.089 63.200 0.026 0.000 0.780 373 S HN 0.702 nan 8.310 nan 0.000 0.498 374 D N 1.795 122.228 120.400 0.054 0.000 2.144 374 D HA 0.036 4.673 4.640 -0.004 0.000 0.200 374 D C 1.126 177.449 176.300 0.038 0.000 0.978 374 D CA 1.172 55.197 54.000 0.042 0.000 0.833 374 D CB 0.135 40.961 40.800 0.044 0.000 0.961 374 D HN 0.724 nan 8.370 nan 0.000 0.470 375 C N -2.024 117.304 119.300 0.045 0.000 3.285 375 C HA 0.549 5.007 4.460 -0.004 0.000 0.325 375 C C 1.318 176.279 174.990 -0.047 0.000 1.304 375 C CA -0.265 58.757 59.018 0.006 0.000 1.319 375 C CB 1.211 28.952 27.740 0.002 0.000 1.640 375 C HN 0.108 nan 8.230 nan 0.000 0.477 376 S N -0.302 115.310 115.700 -0.146 0.000 2.607 376 S HA 0.052 4.520 4.470 -0.004 0.000 0.224 376 S C 0.851 175.033 174.600 -0.696 0.000 0.969 376 S CA 1.051 58.996 58.200 -0.424 0.000 0.927 376 S CB -0.891 62.158 63.200 -0.252 0.000 0.772 376 S HN 1.648 nan 8.310 nan 0.000 0.533 377 T N -1.979 112.374 114.554 -0.334 0.000 3.252 377 T HA 0.438 4.786 4.350 -0.004 0.000 0.286 377 T C 0.212 174.934 174.700 0.037 0.000 1.013 377 T CA -0.505 61.492 62.100 -0.173 0.000 0.914 377 T CB -0.986 67.866 68.868 -0.027 0.000 1.131 377 T HN 0.316 nan 8.240 nan 0.000 0.529 378 C N 1.463 120.781 119.300 0.030 0.000 2.370 378 C HA 0.797 5.255 4.460 -0.004 0.000 0.354 378 C C -0.392 174.661 174.990 0.106 0.000 1.218 378 C CA -0.761 58.354 59.018 0.161 0.000 2.154 378 C CB -0.373 27.435 27.740 0.115 0.000 2.391 378 C HN 0.586 nan 8.230 nan 0.000 0.540 379 F N 1.067 121.102 119.950 0.141 0.000 2.563 379 F HA 0.702 5.228 4.527 -0.002 0.000 0.316 379 F C 0.083 175.944 175.800 0.102 0.000 1.076 379 F CA -0.617 57.456 58.000 0.122 0.000 0.921 379 F CB 1.619 40.678 39.000 0.099 0.000 1.209 379 F HN 0.349 nan 8.300 nan 0.000 0.462 380 V N 1.537 121.622 119.914 0.285 0.000 2.925 380 V HA 0.621 4.738 4.120 -0.004 0.000 0.311 380 V C -1.128 175.079 176.094 0.188 0.000 1.104 380 V CA -0.375 62.027 62.300 0.171 0.000 0.954 380 V CB 2.315 34.173 31.823 0.057 0.000 1.022 380 V HN 0.698 nan 8.190 nan 0.000 0.427 381 S N 4.414 120.176 115.700 0.105 0.000 2.442 381 S HA 0.663 5.131 4.470 -0.004 0.000 0.297 381 S C -0.802 173.787 174.600 -0.018 0.000 1.131 381 S CA -0.552 57.714 58.200 0.109 0.000 1.092 381 S CB 0.679 63.946 63.200 0.111 0.000 0.998 381 S HN 0.763 nan 8.310 nan 0.000 0.478 382 Q N 1.928 121.692 119.800 -0.059 0.000 2.423 382 Q HA 0.535 4.873 4.340 -0.004 0.000 0.278 382 Q C -1.170 174.840 176.000 0.017 0.000 1.097 382 Q CA -0.639 55.076 55.803 -0.147 0.000 0.809 382 Q CB 2.337 30.773 28.738 -0.504 0.000 1.391 382 Q HN 0.594 nan 8.270 nan 0.000 0.428 383 S N -0.493 115.216 115.700 0.016 0.000 2.536 383 S HA 0.977 5.444 4.470 -0.004 0.000 0.298 383 S C -0.349 174.276 174.600 0.041 0.000 1.083 383 S CA -0.255 57.979 58.200 0.057 0.000 0.995 383 S CB 1.963 65.190 63.200 0.046 0.000 1.058 383 S HN 0.872 nan 8.310 nan 0.000 0.488 384 G N 0.494 109.327 108.800 0.055 0.000 2.361 384 G HA2 0.200 4.157 3.960 -0.004 0.000 0.305 384 G HA3 0.200 4.157 3.960 -0.004 0.000 0.305 384 G C 0.334 175.257 174.900 0.038 0.000 1.367 384 G CA -0.016 45.100 45.100 0.027 0.000 0.951 384 G HN 0.754 nan 8.290 nan 0.000 0.615 385 T N -1.817 112.740 114.554 0.004 0.000 3.035 385 T HA 0.046 4.394 4.350 -0.004 0.000 0.268 385 T C 2.333 177.047 174.700 0.024 0.000 1.109 385 T CA 2.225 64.328 62.100 0.004 0.000 1.119 385 T CB -0.132 68.713 68.868 -0.039 0.000 0.900 385 T HN 0.565 nan 8.240 nan 0.000 0.503 386 S N 1.901 117.630 115.700 0.049 0.000 2.353 386 S HA -0.189 4.279 4.470 -0.004 0.000 0.222 386 S C 2.212 176.839 174.600 0.045 0.000 1.035 386 S CA 1.524 59.763 58.200 0.064 0.000 1.025 386 S CB -0.472 62.790 63.200 0.104 0.000 0.902 386 S HN 0.458 nan 8.310 nan 0.000 0.440 387 Q N 1.168 121.005 119.800 0.061 0.000 2.061 387 Q HA 0.030 4.367 4.340 -0.004 0.000 0.204 387 Q C 2.413 178.457 176.000 0.073 0.000 0.984 387 Q CA 1.697 57.545 55.803 0.076 0.000 0.846 387 Q CB -0.805 28.003 28.738 0.116 0.000 0.902 387 Q HN 0.556 nan 8.270 nan 0.000 0.421 388 A N 0.372 123.233 122.820 0.068 0.000 1.908 388 A HA -0.179 4.138 4.320 -0.004 0.000 0.218 388 A C 2.245 179.879 177.584 0.084 0.000 1.181 388 A CA 2.040 54.117 52.037 0.067 0.000 0.627 388 A CB -1.105 17.929 19.000 0.058 0.000 0.818 388 A HN 0.405 nan 8.150 nan 0.000 0.445 389 A N -0.192 122.660 122.820 0.053 0.000 1.877 389 A HA 0.154 4.471 4.320 -0.004 0.000 0.216 389 A C 2.542 180.154 177.584 0.046 0.000 1.186 389 A CA 2.198 54.260 52.037 0.043 0.000 0.620 389 A CB -1.153 17.863 19.000 0.027 0.000 0.822 389 A HN 1.173 nan 8.150 nan 0.000 0.443 390 A N -0.939 121.904 122.820 0.037 0.000 1.948 390 A HA -0.254 4.064 4.320 -0.004 0.000 0.220 390 A C 2.000 179.595 177.584 0.018 0.000 1.177 390 A CA 2.309 54.351 52.037 0.009 0.000 0.636 390 A CB -0.926 18.063 19.000 -0.018 0.000 0.815 390 A HN 0.815 nan 8.150 nan 0.000 0.449 391 H N -0.772 118.278 119.070 -0.033 0.000 2.293 391 H HA -0.069 4.484 4.556 -0.005 0.000 0.300 391 H C 1.899 177.217 175.328 -0.017 0.000 1.082 391 H CA 2.051 58.080 56.048 -0.032 0.000 1.308 391 H CB -0.113 29.634 29.762 -0.025 0.000 1.375 391 H HN 0.130 nan 8.280 nan 0.000 0.495 392 V N 0.778 120.778 119.914 0.144 0.000 2.407 392 V HA -0.282 3.835 4.120 -0.004 0.000 0.248 392 V C 2.670 178.752 176.094 -0.020 0.000 1.055 392 V CA 1.614 63.959 62.300 0.074 0.000 1.049 392 V CB -1.157 30.719 31.823 0.089 0.000 0.662 392 V HN 0.701 nan 8.190 nan 0.000 0.455 393 A N 0.475 123.282 122.820 -0.021 0.000 1.877 393 A HA -0.102 4.215 4.320 -0.004 0.000 0.216 393 A C 2.452 179.987 177.584 -0.081 0.000 1.186 393 A CA 1.970 53.983 52.037 -0.040 0.000 0.620 393 A CB -1.295 17.690 19.000 -0.024 0.000 0.822 393 A HN 0.519 nan 8.150 nan 0.000 0.443 394 G N 0.131 108.860 108.800 -0.118 0.000 2.476 394 G HA2 -0.242 3.715 3.960 -0.004 0.000 0.218 394 G HA3 -0.242 3.715 3.960 -0.004 0.000 0.218 394 G C 1.525 176.307 174.900 -0.196 0.000 1.164 394 G CA 1.294 46.297 45.100 -0.162 0.000 0.768 394 G HN 0.482 nan 8.290 nan 0.000 0.560 395 I N 1.499 121.920 120.570 -0.247 0.000 2.179 395 I HA -0.135 4.032 4.170 -0.004 0.000 0.242 395 I C 3.309 179.283 176.117 -0.238 0.000 1.088 395 I CA 0.992 62.110 61.300 -0.303 0.000 1.357 395 I CB -0.286 37.486 38.000 -0.381 0.000 1.051 395 I HN 0.232 nan 8.210 nan 0.000 0.409 396 A N 0.822 123.549 122.820 -0.155 0.000 1.917 396 A HA -0.280 4.037 4.320 -0.004 0.000 0.219 396 A C 2.527 180.053 177.584 -0.097 0.000 1.182 396 A CA 2.275 54.248 52.037 -0.107 0.000 0.633 396 A CB -1.001 17.963 19.000 -0.060 0.000 0.819 396 A HN 0.463 nan 8.150 nan 0.000 0.448 397 A N -0.972 121.791 122.820 -0.096 0.000 1.902 397 A HA -0.080 4.237 4.320 -0.004 0.000 0.217 397 A C 2.271 179.802 177.584 -0.090 0.000 1.181 397 A CA 1.808 53.798 52.037 -0.079 0.000 0.623 397 A CB -0.473 18.482 19.000 -0.076 0.000 0.818 397 A HN 0.550 nan 8.150 nan 0.000 0.443 398 M N -1.357 118.170 119.600 -0.121 0.000 2.123 398 M HA -0.077 4.400 4.480 -0.004 0.000 0.263 398 M C 2.404 178.635 176.300 -0.114 0.000 1.069 398 M CA 1.528 56.757 55.300 -0.118 0.000 1.133 398 M CB -0.425 32.089 32.600 -0.144 0.000 1.356 398 M HN 0.391 nan 8.290 nan 0.000 0.415 399 M N 0.127 119.639 119.600 -0.146 0.000 2.106 399 M HA -0.254 4.223 4.480 -0.004 0.000 0.259 399 M C 2.016 178.272 176.300 -0.075 0.000 1.068 399 M CA 1.674 56.902 55.300 -0.119 0.000 1.100 399 M CB -0.590 31.928 32.600 -0.137 0.000 1.351 399 M HN 0.293 nan 8.290 nan 0.000 0.404 400 L N -1.226 119.957 121.223 -0.067 0.000 2.217 400 L HA -0.122 4.215 4.340 -0.004 0.000 0.211 400 L C 2.563 179.411 176.870 -0.038 0.000 1.107 400 L CA 0.462 55.275 54.840 -0.045 0.000 0.783 400 L CB -0.487 41.550 42.059 -0.036 0.000 0.919 400 L HN 0.242 nan 8.230 nan 0.000 0.442 401 S N 0.248 115.921 115.700 -0.045 0.000 2.354 401 S HA -0.231 4.236 4.470 -0.004 0.000 0.219 401 S C 2.220 176.801 174.600 -0.032 0.000 1.035 401 S CA 1.535 59.712 58.200 -0.037 0.000 1.037 401 S CB -0.285 62.890 63.200 -0.042 0.000 0.956 401 S HN 0.510 nan 8.310 nan 0.000 0.428 402 A N 0.660 123.458 122.820 -0.038 0.000 1.940 402 A HA -0.082 4.236 4.320 -0.004 0.000 0.219 402 A C 0.888 178.458 177.584 -0.023 0.000 1.176 402 A CA 1.237 53.256 52.037 -0.030 0.000 0.631 402 A CB -0.133 18.847 19.000 -0.034 0.000 0.814 402 A HN 0.590 nan 8.150 nan 0.000 0.446 403 E N -0.815 119.370 120.200 -0.026 0.000 3.117 403 E HA 0.157 4.505 4.350 -0.004 0.000 0.262 403 E C -2.455 174.134 176.600 -0.019 0.000 1.202 403 E CA -1.592 54.797 56.400 -0.019 0.000 0.853 403 E CB 1.210 30.899 29.700 -0.017 0.000 1.426 403 E HN 0.288 nan 8.360 nan 0.000 0.387 404 P HA -0.069 nan 4.420 nan 0.000 0.251 404 P C 0.065 177.359 177.300 -0.011 0.000 1.251 404 P CA 0.743 63.834 63.100 -0.014 0.000 0.763 404 P CB 0.253 31.946 31.700 -0.012 0.000 1.067 405 E N -0.736 119.458 120.200 -0.010 0.000 2.630 405 E HA 0.170 4.518 4.350 -0.004 0.000 0.218 405 E C 0.390 176.986 176.600 -0.007 0.000 0.977 405 E CA -0.341 56.054 56.400 -0.007 0.000 1.038 405 E CB 0.326 30.022 29.700 -0.006 0.000 1.051 405 E HN 0.307 nan 8.360 nan 0.000 0.487 406 L N 2.768 123.986 121.223 -0.008 0.000 2.525 406 L HA 0.012 4.350 4.340 -0.004 0.000 0.278 406 L C 1.078 177.945 176.870 -0.005 0.000 1.218 406 L CA 0.347 55.183 54.840 -0.007 0.000 0.878 406 L CB -0.058 41.995 42.059 -0.011 0.000 1.127 406 L HN 0.067 nan 8.230 nan 0.000 0.492 407 T N -0.327 114.226 114.554 -0.002 0.000 2.904 407 T HA 0.197 4.545 4.350 -0.004 0.000 0.290 407 T C 1.301 176.002 174.700 0.000 0.000 1.018 407 T CA -0.992 61.107 62.100 -0.001 0.000 1.075 407 T CB 1.267 70.136 68.868 0.001 0.000 0.986 407 T HN 0.311 nan 8.240 nan 0.000 0.523 408 L N 1.963 123.186 121.223 0.000 0.000 2.034 408 L HA -0.141 4.196 4.340 -0.004 0.000 0.217 408 L C 2.962 179.836 176.870 0.007 0.000 1.077 408 L CA 2.439 57.281 54.840 0.002 0.000 0.769 408 L CB -1.967 40.093 42.059 0.002 0.000 0.890 408 L HN 1.008 nan 8.230 nan 0.000 0.435 409 A N -1.322 121.503 122.820 0.008 0.000 1.930 409 A HA -0.200 4.117 4.320 -0.004 0.000 0.217 409 A C 2.236 179.828 177.584 0.014 0.000 1.175 409 A CA 1.532 53.577 52.037 0.013 0.000 0.627 409 A CB -0.426 18.581 19.000 0.012 0.000 0.815 409 A HN 0.514 nan 8.150 nan 0.000 0.443 410 E N -0.740 119.467 120.200 0.011 0.000 2.051 410 E HA -0.185 4.163 4.350 -0.004 0.000 0.192 410 E C 1.940 178.546 176.600 0.011 0.000 0.991 410 E CA 1.193 57.600 56.400 0.012 0.000 0.799 410 E CB -0.264 29.440 29.700 0.007 0.000 0.748 410 E HN 0.466 nan 8.360 nan 0.000 0.449 411 L N 1.419 122.645 121.223 0.005 0.000 2.043 411 L HA -0.209 4.128 4.340 -0.004 0.000 0.212 411 L C 2.065 178.942 176.870 0.011 0.000 1.075 411 L CA 1.807 56.647 54.840 -0.000 0.000 0.752 411 L CB -0.223 41.832 42.059 -0.007 0.000 0.891 411 L HN -0.050 nan 8.230 nan 0.000 0.432 412 R N -1.430 119.081 120.500 0.018 0.000 2.090 412 R HA -0.138 4.200 4.340 -0.004 0.000 0.228 412 R C 2.282 178.607 176.300 0.041 0.000 1.110 412 R CA 1.177 57.295 56.100 0.029 0.000 0.973 412 R CB -0.211 30.105 30.300 0.027 0.000 0.869 412 R HN 0.369 nan 8.270 nan 0.000 0.440 413 Q N 0.152 119.975 119.800 0.037 0.000 2.172 413 Q HA -0.078 4.259 4.340 -0.004 0.000 0.200 413 Q C 1.843 177.878 176.000 0.058 0.000 0.964 413 Q CA 1.390 57.220 55.803 0.045 0.000 0.855 413 Q CB 0.091 28.851 28.738 0.036 0.000 0.918 413 Q HN 0.015 nan 8.270 nan 0.000 0.444 414 R N -0.700 119.832 120.500 0.052 0.000 2.066 414 R HA 0.005 4.342 4.340 -0.004 0.000 0.232 414 R C 1.964 178.330 176.300 0.109 0.000 1.131 414 R CA 1.064 57.205 56.100 0.067 0.000 0.955 414 R CB -0.349 29.969 30.300 0.031 0.000 0.851 414 R HN 0.257 nan 8.270 nan 0.000 0.432 415 L N -0.209 121.065 121.223 0.085 0.000 2.083 415 L HA -0.166 4.172 4.340 -0.004 0.000 0.209 415 L C 2.154 179.129 176.870 0.175 0.000 1.083 415 L CA 1.192 56.107 54.840 0.125 0.000 0.752 415 L CB -0.345 41.758 42.059 0.073 0.000 0.899 415 L HN 0.224 nan 8.230 nan 0.000 0.433 416 I N -0.834 119.811 120.570 0.125 0.000 2.142 416 I HA -0.319 3.848 4.170 -0.004 0.000 0.240 416 I C 2.333 178.523 176.117 0.121 0.000 1.078 416 I CA 1.161 62.531 61.300 0.117 0.000 1.343 416 I CB -0.190 37.862 38.000 0.087 0.000 1.046 416 I HN 0.172 nan 8.210 nan 0.000 0.405 417 L N -0.216 121.077 121.223 0.117 0.000 2.046 417 L HA -0.231 4.106 4.340 -0.004 0.000 0.208 417 L C 2.301 179.247 176.870 0.127 0.000 1.077 417 L CA 1.823 56.725 54.840 0.104 0.000 0.747 417 L CB -1.063 41.052 42.059 0.094 0.000 0.896 417 L HN 0.148 nan 8.230 nan 0.000 0.432 418 F N 0.544 120.518 119.950 0.039 0.000 2.095 418 F HA -0.267 4.258 4.527 -0.004 0.000 0.298 418 F C 2.691 178.525 175.800 0.057 0.000 1.104 418 F CA 1.575 59.600 58.000 0.043 0.000 1.232 418 F CB -0.467 38.557 39.000 0.040 0.000 0.987 418 F HN 0.191 nan 8.300 nan 0.000 0.475 419 S N 0.002 115.790 115.700 0.147 0.000 2.723 419 S HA 0.263 4.731 4.470 -0.004 0.000 0.231 419 S C 0.459 175.056 174.600 -0.005 0.000 0.967 419 S CA 0.010 58.252 58.200 0.069 0.000 0.958 419 S CB -1.329 61.971 63.200 0.166 0.000 0.778 419 S HN 0.447 nan 8.310 nan 0.000 0.537 420 A N 1.419 124.208 122.820 -0.051 0.000 2.355 420 A HA 0.773 5.090 4.320 -0.004 0.000 0.317 420 A C -0.318 177.212 177.584 -0.090 0.000 1.094 420 A CA -1.123 50.888 52.037 -0.043 0.000 0.764 420 A CB 1.072 20.070 19.000 -0.004 0.000 1.230 420 A HN 0.589 nan 8.150 nan 0.000 0.448 421 K N 2.331 122.691 120.400 -0.067 0.000 2.889 421 K HA 0.355 4.673 4.320 -0.004 0.000 0.252 421 K C -1.849 174.729 176.600 -0.037 0.000 1.308 421 K CA -0.497 55.753 56.287 -0.062 0.000 0.952 421 K CB 0.608 33.053 32.500 -0.092 0.000 1.341 421 K HN 0.503 nan 8.250 nan 0.000 0.548 422 D N 0.000 120.385 120.400 -0.025 0.000 6.856 422 D HA 0.000 4.637 4.640 -0.004 0.000 0.175 422 D CA 0.000 53.989 54.000 -0.019 0.000 0.868 422 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 422 D HN 0.000 nan 8.370 nan 0.000 0.683