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 3h7c_1_X DATA FIRST_RESID 1 DATA SEQUENCE SEESRESPAE HGYYXPAEWD SHAQTWIGWP ERQDNWRHNA LPAQRVFAGV DATA SEQUENCE AKAISKFEPV TVCASPAQWE NARKQLPEDI RVVEXSXNDS WFRDSGPTFI DATA SEQUENCE VRKRXXXXXX XNRNIAGIDW NFNAWGGAND GCYNDWSHDL LVSRKILALE DATA SEQUENCE RIPRFQHSXI LEGGSIHVDG EGTCLVTEEC LLNKNRNPHX SKEQIEEELK DATA SEQUENCE KYLGVQSFIW LPRGLYGDED TNGHIDNXCC FARPGVVLLS WTDDETDPQY DATA SEQUENCE ERSVEALSVL SNSIDARGRK IQVIKLYIPE PLYXTEEESS GITQDGEAIP DATA SEQUENCE RLAGTRLAAS YVNFYIANGG IIAPQFGDPI RDKEAIRVLS DTFPHHSVVG DATA SEQUENCE IENAREIVLA GGNIHCITQQ QPAEPT 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.619 174.600 0.031 0.000 1.055 1 S CA 0.000 58.222 58.200 0.037 0.000 1.107 1 S CB 0.000 63.218 63.200 0.030 0.000 0.593 2 E N 0.813 121.021 120.200 0.013 0.000 2.359 2 E HA 0.443 4.792 4.350 -0.002 0.000 0.255 2 E C -0.419 176.169 176.600 -0.020 0.000 1.191 2 E CA -0.601 55.801 56.400 0.003 0.000 0.952 2 E CB 0.630 30.330 29.700 0.001 0.000 1.152 2 E HN 0.536 nan 8.360 nan 0.000 0.496 3 E N 0.203 120.375 120.200 -0.045 0.000 2.214 3 E HA 0.199 4.547 4.350 -0.002 0.000 0.274 3 E C -0.933 175.660 176.600 -0.012 0.000 0.977 3 E CA -0.512 55.822 56.400 -0.109 0.000 0.827 3 E CB 1.262 30.835 29.700 -0.212 0.000 1.130 3 E HN 0.277 nan 8.360 nan 0.000 0.394 4 S N 2.065 117.797 115.700 0.054 0.000 2.558 4 S HA -0.077 4.392 4.470 -0.002 0.000 0.291 4 S C 1.314 175.980 174.600 0.111 0.000 1.306 4 S CA 0.170 58.430 58.200 0.100 0.000 1.056 4 S CB 0.516 63.855 63.200 0.230 0.000 0.836 4 S HN 0.629 nan 8.310 nan 0.000 0.504 5 R N 1.808 122.356 120.500 0.080 0.000 2.120 5 R HA 0.008 4.347 4.340 -0.002 0.000 0.234 5 R C -0.127 176.250 176.300 0.128 0.000 1.123 5 R CA 1.103 57.253 56.100 0.084 0.000 0.975 5 R CB -0.043 30.292 30.300 0.060 0.000 0.866 5 R HN 0.579 nan 8.270 nan 0.000 0.446 6 E N 1.031 121.348 120.200 0.194 0.000 2.266 6 E HA 0.219 4.568 4.350 -0.002 0.000 0.268 6 E C -1.135 175.637 176.600 0.287 0.000 0.879 6 E CA -0.739 55.809 56.400 0.247 0.000 0.762 6 E CB 2.172 32.093 29.700 0.368 0.000 1.199 6 E HN 0.300 nan 8.360 nan 0.000 0.422 7 S N 1.592 117.364 115.700 0.120 0.000 2.632 7 S HA 0.264 4.732 4.470 -0.002 0.000 0.267 7 S C -1.919 172.469 174.600 -0.352 0.000 1.276 7 S CA -1.111 56.949 58.200 -0.234 0.000 0.998 7 S CB 1.226 64.315 63.200 -0.184 0.000 0.953 7 S HN 0.210 nan 8.310 nan 0.000 0.547 8 P HA -0.123 nan 4.420 nan 0.000 0.215 8 P C 1.587 178.805 177.300 -0.138 0.000 1.157 8 P CA 2.224 64.801 63.100 -0.871 0.000 0.874 8 P CB -0.260 30.829 31.700 -1.019 0.000 0.790 9 A N -0.320 122.412 122.820 -0.145 0.000 1.972 9 A HA -0.227 4.092 4.320 -0.002 0.000 0.219 9 A C 2.078 179.668 177.584 0.009 0.000 1.169 9 A CA 1.551 53.583 52.037 -0.009 0.000 0.635 9 A CB -1.167 17.836 19.000 0.006 0.000 0.810 9 A HN 0.210 nan 8.150 nan 0.000 0.446 10 E N -1.005 119.196 120.200 0.001 0.000 2.204 10 E HA -0.163 4.186 4.350 -0.002 0.000 0.195 10 E C 1.106 177.613 176.600 -0.154 0.000 0.990 10 E CA 0.970 57.337 56.400 -0.055 0.000 0.821 10 E CB -0.154 29.517 29.700 -0.048 0.000 0.750 10 E HN 0.727 nan 8.360 nan 0.000 0.477 11 H N -1.366 117.753 119.070 0.082 0.000 2.586 11 H HA 0.167 4.722 4.556 -0.002 0.000 0.273 11 H C 1.156 176.417 175.328 -0.112 0.000 0.997 11 H CA 0.730 56.827 56.048 0.082 0.000 1.177 11 H CB 1.291 31.260 29.762 0.345 0.000 1.471 11 H HN 0.321 nan 8.280 nan 0.000 0.538 12 G N 0.650 109.447 108.800 -0.006 0.000 2.157 12 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.248 12 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.248 12 G C -0.338 174.540 174.900 -0.037 0.000 0.979 12 G CA -0.208 44.855 45.100 -0.062 0.000 0.650 12 G HN 0.300 nan 8.290 nan 0.000 0.529 13 Y N -0.026 120.319 120.300 0.075 0.000 2.316 13 Y HA 0.631 5.180 4.550 -0.002 0.000 0.324 13 Y C 0.769 176.731 175.900 0.103 0.000 1.267 13 Y CA 0.214 58.336 58.100 0.036 0.000 1.311 13 Y CB 0.775 39.176 38.460 -0.098 0.000 1.267 13 Y HN 0.500 nan 8.280 nan 0.000 0.516 17 A N 0.180 122.820 122.820 -0.299 0.000 2.466 17 A HA 0.162 4.481 4.320 -0.002 0.000 0.238 17 A C 1.286 178.555 177.584 -0.525 0.000 1.074 17 A CA 0.620 52.217 52.037 -0.733 0.000 0.774 17 A CB 0.094 18.018 19.000 -1.793 0.000 1.015 17 A HN 0.739 nan 8.150 nan 0.000 0.498 18 E N 0.277 120.243 120.200 -0.389 0.000 2.204 18 E HA -0.179 4.169 4.350 -0.002 0.000 0.195 18 E C 1.163 177.823 176.600 0.101 0.000 0.990 18 E CA 1.738 58.149 56.400 0.019 0.000 0.821 18 E CB -0.137 29.672 29.700 0.182 0.000 0.750 18 E HN 0.892 nan 8.360 nan 0.000 0.477 19 W N 0.743 122.141 121.300 0.163 0.000 3.180 19 W HA 0.266 4.925 4.660 -0.002 0.000 0.254 19 W C -0.146 176.422 176.519 0.082 0.000 1.318 19 W CA -0.534 56.875 57.345 0.106 0.000 1.608 19 W CB -0.220 29.344 29.460 0.172 0.000 1.124 19 W HN -0.241 nan 8.180 nan 0.000 0.694 20 D N 0.981 121.390 120.400 0.015 0.000 2.360 20 D HA 0.056 4.695 4.640 -0.002 0.000 0.242 20 D C 0.237 176.573 176.300 0.060 0.000 1.184 20 D CA -0.125 53.929 54.000 0.091 0.000 0.930 20 D CB 1.102 41.926 40.800 0.040 0.000 1.161 20 D HN -0.131 nan 8.370 nan 0.000 0.447 21 S N -0.176 115.559 115.700 0.059 0.000 2.560 21 S HA 0.040 4.509 4.470 -0.002 0.000 0.284 21 S C -0.517 174.165 174.600 0.138 0.000 1.327 21 S CA -0.015 58.198 58.200 0.021 0.000 1.055 21 S CB -0.054 63.171 63.200 0.042 0.000 0.868 21 S HN 0.296 nan 8.310 nan 0.000 0.506 22 H N 1.916 121.007 119.070 0.034 0.000 2.533 22 H HA 0.525 5.080 4.556 -0.002 0.000 0.343 22 H C 0.928 176.265 175.328 0.014 0.000 1.160 22 H CA -0.615 55.447 56.048 0.023 0.000 1.218 22 H CB 1.527 31.322 29.762 0.056 0.000 1.566 22 H HN 0.733 nan 8.280 nan 0.000 0.522 23 A N 2.106 124.996 122.820 0.117 0.000 1.935 23 A HA -0.025 4.294 4.320 -0.002 0.000 0.214 23 A C 0.693 178.305 177.584 0.047 0.000 1.178 23 A CA 1.069 53.140 52.037 0.057 0.000 0.640 23 A CB 0.108 19.116 19.000 0.013 0.000 0.825 23 A HN 0.791 nan 8.150 nan 0.000 0.447 24 Q N -2.649 117.172 119.800 0.035 0.000 2.756 24 Q HA 0.421 4.760 4.340 -0.002 0.000 0.295 24 Q C -1.799 174.191 176.000 -0.016 0.000 0.903 24 Q CA -0.690 55.097 55.803 -0.027 0.000 0.768 24 Q CB 0.584 29.223 28.738 -0.165 0.000 1.472 24 Q HN 0.025 nan 8.270 nan 0.000 0.416 25 T N 1.236 115.762 114.554 -0.048 0.000 2.855 25 T HA 0.581 4.930 4.350 -0.002 0.000 0.281 25 T C -1.500 173.102 174.700 -0.164 0.000 1.007 25 T CA -0.281 61.829 62.100 0.017 0.000 1.009 25 T CB 0.486 69.432 68.868 0.130 0.000 0.983 25 T HN 0.407 nan 8.240 nan 0.000 0.455 26 W N 2.695 124.054 121.300 0.098 0.000 2.520 26 W HA 0.743 5.402 4.660 -0.002 0.000 0.323 26 W C -0.387 176.251 176.519 0.198 0.000 1.062 26 W CA -0.666 56.804 57.345 0.208 0.000 1.215 26 W CB 0.818 30.473 29.460 0.325 0.000 1.340 26 W HN 0.361 nan 8.180 nan 0.000 0.516 27 I N 2.531 123.280 120.570 0.299 0.000 2.656 27 I HA 0.570 4.739 4.170 -0.002 0.000 0.292 27 I C 0.473 176.350 176.117 -0.401 0.000 1.144 27 I CA -0.960 60.326 61.300 -0.023 0.000 1.038 27 I CB 1.955 39.944 38.000 -0.019 0.000 1.244 27 I HN 0.519 nan 8.210 nan 0.000 0.420 28 G N 3.601 111.820 108.800 -0.968 0.000 2.488 28 G HA2 0.376 4.335 3.960 -0.002 0.000 0.318 28 G HA3 0.376 4.335 3.960 -0.002 0.000 0.318 28 G C -1.857 172.903 174.900 -0.234 0.000 1.188 28 G CA -0.425 44.108 45.100 -0.945 0.000 0.944 28 G HN 0.657 nan 8.290 nan 0.000 0.495 29 W N 2.428 123.463 121.300 -0.441 0.000 2.471 29 W HA 0.452 5.111 4.660 -0.002 0.000 0.318 29 W C -2.512 173.604 176.519 -0.671 0.000 1.034 29 W CA -2.381 54.643 57.345 -0.535 0.000 1.224 29 W CB 2.460 31.719 29.460 -0.335 0.000 1.335 29 W HN 0.324 nan 8.180 nan 0.000 0.452 30 P HA 0.089 nan 4.420 nan 0.000 0.277 30 P C -0.308 176.353 177.300 -1.065 0.000 1.240 30 P CA 0.589 62.777 63.100 -1.520 0.000 0.798 30 P CB 2.010 32.047 31.700 -2.772 0.000 0.979 31 E N 1.478 121.359 120.200 -0.531 0.000 2.521 31 E HA 0.017 4.366 4.350 -0.002 0.000 0.199 31 E C 0.041 176.672 176.600 0.052 0.000 1.006 31 E CA -0.419 55.859 56.400 -0.203 0.000 1.630 31 E CB -0.143 29.514 29.700 -0.071 0.000 2.725 31 E HN 0.392 nan 8.360 nan 0.000 1.103 32 R N 1.784 122.425 120.500 0.236 0.000 2.401 32 R HA 0.186 4.525 4.340 -0.002 0.000 0.299 32 R C 0.276 176.712 176.300 0.227 0.000 1.064 32 R CA -0.026 56.198 56.100 0.207 0.000 1.000 32 R CB 0.610 31.008 30.300 0.164 0.000 0.973 32 R HN 0.136 nan 8.270 nan 0.000 0.438 33 Q N 1.186 121.067 119.800 0.135 0.000 2.369 33 Q HA -0.123 4.216 4.340 -0.002 0.000 0.206 33 Q C 0.292 176.342 176.000 0.084 0.000 0.963 33 Q CA 1.362 57.235 55.803 0.116 0.000 0.894 33 Q CB 0.165 28.954 28.738 0.086 0.000 0.965 33 Q HN 0.791 nan 8.270 nan 0.000 0.475 34 D N -1.102 119.339 120.400 0.068 0.000 2.339 34 D HA -0.045 4.593 4.640 -0.002 0.000 0.217 34 D C 0.853 177.146 176.300 -0.013 0.000 1.050 34 D CA 0.300 54.320 54.000 0.034 0.000 0.856 34 D CB 0.135 40.963 40.800 0.046 0.000 0.922 34 D HN 0.007 nan 8.370 nan 0.000 0.518 35 N N -1.089 117.575 118.700 -0.060 0.000 2.266 35 N HA 0.095 4.834 4.740 -0.002 0.000 0.217 35 N C -1.217 174.008 175.510 -0.474 0.000 1.211 35 N CA -0.024 52.843 53.050 -0.306 0.000 0.881 35 N CB 0.568 38.807 38.487 -0.414 0.000 1.153 35 N HN 0.093 nan 8.380 nan 0.000 0.489 36 W N 3.390 124.699 121.300 0.016 0.000 2.499 36 W HA 0.436 5.095 4.660 -0.001 0.000 0.320 36 W C 0.042 176.536 176.519 -0.041 0.000 1.010 36 W CA -1.062 56.268 57.345 -0.025 0.000 1.267 36 W CB 0.929 30.333 29.460 -0.093 0.000 1.316 36 W HN -0.149 nan 8.180 nan 0.000 0.431 37 R N 1.800 122.388 120.500 0.146 0.000 2.811 37 R HA 0.103 4.441 4.340 -0.002 0.000 0.265 37 R C -0.078 176.263 176.300 0.069 0.000 1.026 37 R CA 0.200 56.294 56.100 -0.009 0.000 1.142 37 R CB 0.053 30.236 30.300 -0.195 0.000 1.027 37 R HN 0.830 nan 8.270 nan 0.000 0.465 38 H N 0.274 119.383 119.070 0.064 0.000 2.756 38 H HA -0.176 4.379 4.556 -0.002 0.000 0.315 38 H C -0.173 175.172 175.328 0.030 0.000 1.210 38 H CA 0.440 56.513 56.048 0.042 0.000 1.150 38 H CB -1.099 28.684 29.762 0.035 0.000 1.463 38 H HN 0.969 nan 8.280 nan 0.000 0.427 39 N N -0.808 117.983 118.700 0.152 0.000 2.747 39 N HA -0.266 4.473 4.740 -0.002 0.000 0.249 39 N C 0.827 176.355 175.510 0.030 0.000 1.107 39 N CA 1.721 54.822 53.050 0.085 0.000 0.707 39 N CB -1.184 37.340 38.487 0.061 0.000 1.054 39 N HN 1.138 nan 8.380 nan 0.000 0.555 40 A N -2.753 120.095 122.820 0.046 0.000 3.153 40 A HA -0.303 4.016 4.320 -0.002 0.000 0.265 40 A C 1.475 178.938 177.584 -0.202 0.000 1.212 40 A CA 1.577 53.555 52.037 -0.099 0.000 1.018 40 A CB -1.964 16.845 19.000 -0.318 0.000 1.130 40 A HN 0.707 nan 8.150 nan 0.000 0.873 41 L N 0.217 121.397 121.223 -0.071 0.000 2.056 41 L HA 0.019 4.358 4.340 -0.002 0.000 0.207 41 L C -0.358 176.461 176.870 -0.086 0.000 1.078 41 L CA 3.050 57.840 54.840 -0.083 0.000 0.749 41 L CB -1.041 41.014 42.059 -0.007 0.000 0.901 41 L HN 0.310 nan 8.230 nan 0.000 0.433 42 P HA -0.087 nan 4.420 nan 0.000 0.217 42 P C 1.497 178.767 177.300 -0.050 0.000 1.150 42 P CA 1.841 64.943 63.100 0.004 0.000 0.832 42 P CB -0.174 31.570 31.700 0.073 0.000 0.787 43 A N -0.203 122.548 122.820 -0.116 0.000 1.930 43 A HA -0.230 4.089 4.320 -0.002 0.000 0.217 43 A C 2.278 179.572 177.584 -0.482 0.000 1.175 43 A CA 1.430 53.324 52.037 -0.238 0.000 0.627 43 A CB -1.333 17.381 19.000 -0.478 0.000 0.815 43 A HN 0.157 nan 8.150 nan 0.000 0.443 44 Q N -0.595 118.780 119.800 -0.707 0.000 2.096 44 Q HA -0.195 4.144 4.340 -0.002 0.000 0.204 44 Q C 2.298 178.061 176.000 -0.395 0.000 0.982 44 Q CA 1.765 56.976 55.803 -0.986 0.000 0.850 44 Q CB -0.180 28.016 28.738 -0.903 0.000 0.901 44 Q HN 0.623 nan 8.270 nan 0.000 0.422 45 R N -0.452 119.947 120.500 -0.169 0.000 2.115 45 R HA -0.068 4.271 4.340 -0.002 0.000 0.230 45 R C 2.198 178.506 176.300 0.014 0.000 1.111 45 R CA 0.999 57.085 56.100 -0.023 0.000 0.976 45 R CB -0.028 30.270 30.300 -0.004 0.000 0.870 45 R HN 0.105 nan 8.270 nan 0.000 0.445 46 V N 0.135 120.055 119.914 0.011 0.000 2.488 46 V HA -0.162 3.957 4.120 -0.002 0.000 0.246 46 V C 1.771 177.905 176.094 0.067 0.000 1.046 46 V CA 1.420 63.747 62.300 0.046 0.000 1.053 46 V CB -0.453 31.406 31.823 0.060 0.000 0.679 46 V HN 0.116 nan 8.190 nan 0.000 0.458 47 F N 1.206 121.029 119.950 -0.213 0.000 2.126 47 F HA -0.186 4.340 4.527 -0.002 0.000 0.299 47 F C 2.457 178.234 175.800 -0.039 0.000 1.096 47 F CA 1.539 59.424 58.000 -0.191 0.000 1.255 47 F CB -0.953 37.819 39.000 -0.381 0.000 0.997 47 F HN 0.107 nan 8.300 nan 0.000 0.479 48 A N -0.123 122.836 122.820 0.231 0.000 1.972 48 A HA -0.047 4.271 4.320 -0.002 0.000 0.219 48 A C 2.553 180.198 177.584 0.101 0.000 1.169 48 A CA 1.687 53.850 52.037 0.209 0.000 0.635 48 A CB -1.552 17.586 19.000 0.229 0.000 0.810 48 A HN 0.410 nan 8.150 nan 0.000 0.446 49 G N -0.704 108.140 108.800 0.073 0.000 2.408 49 G HA2 -0.045 3.914 3.960 -0.002 0.000 0.217 49 G HA3 -0.045 3.914 3.960 -0.002 0.000 0.217 49 G C 1.472 176.398 174.900 0.043 0.000 1.150 49 G CA 1.123 46.251 45.100 0.047 0.000 0.776 49 G HN 0.299 nan 8.290 nan 0.000 0.542 50 V N 1.519 121.446 119.914 0.023 0.000 2.358 50 V HA -0.107 4.012 4.120 -0.002 0.000 0.246 50 V C 3.315 179.432 176.094 0.038 0.000 1.047 50 V CA 1.966 64.273 62.300 0.011 0.000 1.035 50 V CB -0.786 30.983 31.823 -0.089 0.000 0.658 50 V HN 0.456 nan 8.190 nan 0.000 0.452 51 A N -0.201 122.639 122.820 0.033 0.000 1.902 51 A HA -0.280 4.039 4.320 -0.002 0.000 0.217 51 A C 2.339 179.950 177.584 0.045 0.000 1.181 51 A CA 2.289 54.349 52.037 0.038 0.000 0.623 51 A CB -0.489 18.539 19.000 0.046 0.000 0.818 51 A HN 0.524 nan 8.150 nan 0.000 0.443 52 K N -0.432 119.992 120.400 0.040 0.000 2.057 52 K HA -0.047 4.272 4.320 -0.002 0.000 0.206 52 K C 2.155 178.778 176.600 0.038 0.000 1.050 52 K CA 1.141 57.442 56.287 0.023 0.000 0.935 52 K CB -0.320 32.188 32.500 0.014 0.000 0.715 52 K HN 0.365 nan 8.250 nan 0.000 0.439 53 A N 1.236 124.099 122.820 0.073 0.000 1.902 53 A HA -0.141 4.177 4.320 -0.002 0.000 0.217 53 A C 2.056 179.772 177.584 0.220 0.000 1.181 53 A CA 1.502 53.612 52.037 0.121 0.000 0.623 53 A CB -0.584 18.509 19.000 0.154 0.000 0.818 53 A HN 0.346 nan 8.150 nan 0.000 0.443 54 I N 0.753 121.469 120.570 0.244 0.000 2.286 54 I HA -0.238 3.930 4.170 -0.002 0.000 0.248 54 I C 2.742 179.015 176.117 0.260 0.000 1.115 54 I CA 1.496 63.007 61.300 0.352 0.000 1.392 54 I CB -0.228 37.948 38.000 0.293 0.000 1.065 54 I HN 0.505 nan 8.210 nan 0.000 0.418 55 S N 0.647 116.413 115.700 0.111 0.000 2.469 55 S HA -0.117 4.352 4.470 -0.002 0.000 0.238 55 S C 1.843 176.423 174.600 -0.034 0.000 0.998 55 S CA 0.630 58.852 58.200 0.036 0.000 0.957 55 S CB -0.216 62.981 63.200 -0.005 0.000 0.764 55 S HN 0.279 nan 8.310 nan 0.000 0.514 56 K N 0.580 120.903 120.400 -0.129 0.000 2.283 56 K HA 0.132 4.450 4.320 -0.002 0.000 0.202 56 K C 0.989 177.302 176.600 -0.478 0.000 1.048 56 K CA 0.779 56.851 56.287 -0.358 0.000 0.948 56 K CB -0.532 31.630 32.500 -0.564 0.000 0.742 56 K HN 0.591 nan 8.250 nan 0.000 0.458 57 F N 0.688 120.656 119.950 0.030 0.000 2.500 57 F HA 0.124 4.650 4.527 -0.002 0.000 0.285 57 F C 0.847 176.662 175.800 0.025 0.000 1.088 57 F CA -0.174 57.840 58.000 0.024 0.000 1.432 57 F CB 0.447 39.468 39.000 0.035 0.000 1.131 57 F HN -0.014 nan 8.300 nan 0.000 0.582 58 E N -0.662 119.659 120.200 0.202 0.000 2.437 58 E HA 0.369 4.718 4.350 -0.002 0.000 0.280 58 E C -3.118 173.532 176.600 0.084 0.000 1.044 58 E CA -2.414 54.070 56.400 0.140 0.000 0.826 58 E CB 1.670 31.482 29.700 0.187 0.000 1.358 58 E HN -0.295 nan 8.360 nan 0.000 0.459 59 P HA 0.155 nan 4.420 nan 0.000 0.271 59 P C -0.917 176.348 177.300 -0.057 0.000 1.218 59 P CA -0.256 62.830 63.100 -0.023 0.000 0.780 59 P CB 0.735 32.407 31.700 -0.047 0.000 0.901 60 V N 2.740 122.594 119.914 -0.099 0.000 2.656 60 V HA 0.434 4.553 4.120 -0.002 0.000 0.307 60 V C -0.053 175.890 176.094 -0.253 0.000 1.051 60 V CA -0.327 61.882 62.300 -0.151 0.000 0.893 60 V CB 2.340 34.123 31.823 -0.067 0.000 0.999 60 V HN 0.445 nan 8.190 nan 0.000 0.426 61 T N 3.586 117.888 114.554 -0.420 0.000 2.792 61 T HA 0.556 4.904 4.350 -0.002 0.000 0.280 61 T C -0.467 174.119 174.700 -0.189 0.000 0.990 61 T CA -0.324 61.530 62.100 -0.410 0.000 0.960 61 T CB 1.561 69.923 68.868 -0.843 0.000 0.939 61 T HN 0.343 nan 8.240 nan 0.000 0.439 62 V N 3.051 122.907 119.914 -0.097 0.000 2.427 62 V HA 0.354 4.473 4.120 -0.002 0.000 0.286 62 V C 0.047 176.160 176.094 0.032 0.000 1.034 62 V CA -0.712 61.572 62.300 -0.026 0.000 0.893 62 V CB 1.232 33.001 31.823 -0.089 0.000 0.982 62 V HN 1.025 nan 8.190 nan 0.000 0.452 63 C N 4.718 124.092 119.300 0.124 0.000 2.329 63 C HA 0.900 5.359 4.460 -0.002 0.000 0.329 63 C C 0.537 175.594 174.990 0.113 0.000 1.275 63 C CA -0.612 58.535 59.018 0.215 0.000 1.726 63 C CB 0.223 28.255 27.740 0.487 0.000 2.291 63 C HN 1.007 nan 8.230 nan 0.000 0.514 64 A N 2.521 125.402 122.820 0.102 0.000 2.435 64 A HA 0.844 5.163 4.320 -0.002 0.000 0.304 64 A C -0.005 177.658 177.584 0.132 0.000 1.064 64 A CA -0.306 51.764 52.037 0.056 0.000 0.727 64 A CB 1.075 19.908 19.000 -0.279 0.000 1.284 64 A HN 1.088 nan 8.150 nan 0.000 0.415 65 S N 1.661 117.441 115.700 0.134 0.000 2.589 65 S HA 0.329 4.798 4.470 -0.002 0.000 0.265 65 S C -1.792 172.873 174.600 0.109 0.000 1.342 65 S CA -0.390 57.872 58.200 0.103 0.000 1.005 65 S CB 0.302 63.557 63.200 0.092 0.000 0.909 65 S HN 0.386 nan 8.310 nan 0.000 0.555 66 P HA -0.126 nan 4.420 nan 0.000 0.216 66 P C 1.509 178.862 177.300 0.090 0.000 1.154 66 P CA 2.204 65.341 63.100 0.062 0.000 0.865 66 P CB -0.282 31.427 31.700 0.015 0.000 0.789 67 A N -1.059 121.809 122.820 0.081 0.000 2.067 67 A HA -0.161 4.158 4.320 -0.002 0.000 0.219 67 A C 2.052 179.695 177.584 0.098 0.000 1.158 67 A CA 1.351 53.437 52.037 0.083 0.000 0.661 67 A CB -0.688 18.356 19.000 0.073 0.000 0.801 67 A HN 0.133 nan 8.150 nan 0.000 0.452 68 Q N -2.810 117.057 119.800 0.111 0.000 2.281 68 Q HA 0.004 4.343 4.340 -0.002 0.000 0.215 68 Q C 1.360 177.325 176.000 -0.059 0.000 0.867 68 Q CA -0.119 55.735 55.803 0.086 0.000 0.940 68 Q CB -0.115 28.747 28.738 0.208 0.000 1.111 68 Q HN 0.879 nan 8.270 nan 0.000 0.513 69 W N 2.584 123.805 121.300 -0.132 0.000 2.335 69 W HA -0.191 4.467 4.660 -0.002 0.000 0.311 69 W C 1.634 178.028 176.519 -0.209 0.000 1.213 69 W CA 1.912 59.142 57.345 -0.192 0.000 1.274 69 W CB 0.229 29.620 29.460 -0.116 0.000 1.148 69 W HN 0.158 nan 8.180 nan 0.000 0.498 70 E N -0.360 119.879 120.200 0.066 0.000 2.077 70 E HA -0.297 4.051 4.350 -0.002 0.000 0.193 70 E C 1.890 178.324 176.600 -0.276 0.000 0.989 70 E CA 1.448 57.788 56.400 -0.098 0.000 0.800 70 E CB -0.556 29.197 29.700 0.087 0.000 0.746 70 E HN 0.257 nan 8.360 nan 0.000 0.452 71 N N 1.011 119.594 118.700 -0.195 0.000 2.069 71 N HA -0.173 4.566 4.740 -0.002 0.000 0.191 71 N C 1.681 176.954 175.510 -0.396 0.000 1.031 71 N CA 1.830 54.781 53.050 -0.166 0.000 0.852 71 N CB -0.249 38.249 38.487 0.019 0.000 1.018 71 N HN 0.129 nan 8.380 nan 0.000 0.423 72 A N 0.381 122.697 122.820 -0.839 0.000 1.908 72 A HA -0.133 4.186 4.320 -0.002 0.000 0.218 72 A C 2.287 179.308 177.584 -0.937 0.000 1.181 72 A CA 1.845 53.001 52.037 -1.470 0.000 0.627 72 A CB -0.700 17.115 19.000 -1.975 0.000 0.818 72 A HN 0.387 nan 8.150 nan 0.000 0.445 73 R N 0.271 120.224 120.500 -0.912 0.000 2.092 73 R HA -0.059 4.280 4.340 -0.002 0.000 0.231 73 R C 1.914 177.945 176.300 -0.448 0.000 1.119 73 R CA 2.015 57.655 56.100 -0.767 0.000 0.970 73 R CB -0.403 29.222 30.300 -1.125 0.000 0.864 73 R HN 0.558 nan 8.270 nan 0.000 0.440 74 K N -0.156 120.030 120.400 -0.357 0.000 2.097 74 K HA -0.103 4.216 4.320 -0.002 0.000 0.205 74 K C 1.975 178.477 176.600 -0.164 0.000 1.050 74 K CA 1.532 57.697 56.287 -0.203 0.000 0.938 74 K CB 0.013 32.432 32.500 -0.136 0.000 0.718 74 K HN 0.356 nan 8.250 nan 0.000 0.442 75 Q N 0.067 119.755 119.800 -0.187 0.000 2.425 75 Q HA 0.105 4.444 4.340 -0.002 0.000 0.204 75 Q C 0.057 176.009 176.000 -0.079 0.000 0.933 75 Q CA 0.288 56.049 55.803 -0.071 0.000 0.939 75 Q CB 0.333 29.119 28.738 0.081 0.000 1.044 75 Q HN 0.227 nan 8.270 nan 0.000 0.513 76 L N 1.860 122.978 121.223 -0.176 0.000 2.334 76 L HA 0.421 4.760 4.340 -0.002 0.000 0.273 76 L C -2.137 174.658 176.870 -0.126 0.000 1.013 76 L CA -2.330 52.424 54.840 -0.144 0.000 0.816 76 L CB 1.257 43.183 42.059 -0.221 0.000 1.278 76 L HN -0.083 nan 8.230 nan 0.000 0.431 77 P HA -0.002 nan 4.420 nan 0.000 0.270 77 P C 0.014 177.260 177.300 -0.089 0.000 1.223 77 P CA -0.213 62.842 63.100 -0.076 0.000 0.785 77 P CB 0.955 32.622 31.700 -0.055 0.000 0.923 78 E N 1.076 121.231 120.200 -0.074 0.000 2.204 78 E HA -0.190 4.159 4.350 -0.002 0.000 0.194 78 E C 1.102 177.664 176.600 -0.063 0.000 0.989 78 E CA 1.392 57.750 56.400 -0.071 0.000 0.824 78 E CB -0.506 29.162 29.700 -0.053 0.000 0.756 78 E HN 0.442 nan 8.360 nan 0.000 0.477 79 D N -0.247 120.119 120.400 -0.058 0.000 2.349 79 D HA -0.064 4.575 4.640 -0.002 0.000 0.224 79 D C 0.305 176.567 176.300 -0.063 0.000 1.029 79 D CA 0.015 53.983 54.000 -0.053 0.000 0.879 79 D CB -0.159 40.614 40.800 -0.045 0.000 0.906 79 D HN 0.268 nan 8.370 nan 0.000 0.528 80 I N 1.163 121.686 120.570 -0.079 0.000 2.342 80 I HA 0.179 4.347 4.170 -0.002 0.000 0.291 80 I C 0.728 176.779 176.117 -0.110 0.000 1.010 80 I CA -0.901 60.342 61.300 -0.096 0.000 1.308 80 I CB 1.291 39.232 38.000 -0.100 0.000 1.400 80 I HN -0.231 nan 8.210 nan 0.000 0.488 81 R N 5.756 126.189 120.500 -0.111 0.000 2.389 81 R HA 0.459 4.798 4.340 -0.002 0.000 0.295 81 R C -1.366 174.876 176.300 -0.097 0.000 1.075 81 R CA -0.296 55.752 56.100 -0.086 0.000 1.005 81 R CB 0.899 31.147 30.300 -0.085 0.000 0.987 81 R HN 0.451 nan 8.270 nan 0.000 0.452 82 V N 6.468 126.343 119.914 -0.065 0.000 2.409 82 V HA 0.352 4.471 4.120 -0.002 0.000 0.291 82 V C -0.232 175.999 176.094 0.228 0.000 1.020 82 V CA -0.670 61.573 62.300 -0.095 0.000 0.848 82 V CB 1.430 32.981 31.823 -0.453 0.000 0.990 82 V HN 0.667 nan 8.190 nan 0.000 0.430 83 V N 1.605 121.673 119.914 0.256 0.000 2.864 83 V HA 0.719 4.838 4.120 -0.002 0.000 0.314 83 V C -0.192 176.138 176.094 0.394 0.000 1.073 83 V CA -0.691 61.825 62.300 0.360 0.000 0.956 83 V CB 1.923 33.902 31.823 0.259 0.000 1.023 83 V HN 0.885 nan 8.190 nan 0.000 0.435 89 D N -0.840 119.772 120.400 0.353 0.000 2.779 89 D HA 0.339 4.977 4.640 -0.002 0.000 0.331 89 D C -1.168 175.419 176.300 0.477 0.000 1.331 89 D CA -0.299 53.977 54.000 0.460 0.000 0.866 89 D CB 1.138 42.395 40.800 0.762 0.000 1.409 89 D HN -0.064 nan 8.370 nan 0.000 0.486 90 S N 0.126 115.986 115.700 0.266 0.000 2.257 90 S HA 0.434 4.903 4.470 -0.002 0.000 0.191 90 S C -1.017 173.504 174.600 -0.131 0.000 1.386 90 S CA -0.759 57.427 58.200 -0.024 0.000 1.233 90 S CB -0.621 62.365 63.200 -0.356 0.000 1.138 90 S HN 0.359 nan 8.310 nan 0.000 0.483 91 W N 0.989 122.646 121.300 0.595 0.000 2.165 91 W HA 0.529 5.188 4.660 -0.002 0.000 0.288 91 W C -0.005 176.858 176.519 0.574 0.000 0.900 91 W CA -1.133 56.557 57.345 0.575 0.000 1.914 91 W CB 0.097 29.979 29.460 0.704 0.000 2.091 91 W HN 0.343 nan 8.180 nan 0.000 0.399 92 F N 0.749 120.891 119.950 0.319 0.000 2.502 92 F HA -0.053 4.473 4.527 -0.002 0.000 0.298 92 F C 2.440 178.337 175.800 0.162 0.000 1.111 92 F CA 0.504 58.625 58.000 0.201 0.000 1.445 92 F CB -0.528 38.579 39.000 0.178 0.000 1.081 92 F HN 0.144 nan 8.300 nan 0.000 0.558 93 R N 0.899 121.616 120.500 0.361 0.000 2.127 93 R HA -0.146 4.193 4.340 -0.002 0.000 0.238 93 R C 1.398 177.828 176.300 0.217 0.000 1.134 93 R CA 1.957 58.182 56.100 0.208 0.000 0.975 93 R CB -0.533 29.861 30.300 0.156 0.000 0.865 93 R HN 0.101 nan 8.270 nan 0.000 0.447 94 D N -1.807 118.788 120.400 0.324 0.000 2.431 94 D HA 0.029 4.668 4.640 -0.002 0.000 0.235 94 D C 1.575 177.852 176.300 -0.038 0.000 0.980 94 D CA 1.460 55.626 54.000 0.276 0.000 0.912 94 D CB 0.097 41.284 40.800 0.646 0.000 1.056 94 D HN 0.333 nan 8.370 nan 0.000 0.494 95 S N -0.136 115.456 115.700 -0.181 0.000 2.503 95 S HA 0.230 4.699 4.470 -0.002 0.000 0.217 95 S C 1.336 175.714 174.600 -0.370 0.000 0.999 95 S CA -0.043 57.821 58.200 -0.560 0.000 0.914 95 S CB 0.093 62.934 63.200 -0.598 0.000 0.782 95 S HN 0.129 nan 8.310 nan 0.000 0.520 96 G N 2.793 111.422 108.800 -0.285 0.000 2.616 96 G HA2 0.518 4.477 3.960 -0.002 0.000 0.268 96 G HA3 0.518 4.477 3.960 -0.002 0.000 0.268 96 G C -2.831 171.915 174.900 -0.258 0.000 1.213 96 G CA -1.602 43.265 45.100 -0.388 0.000 0.926 96 G HN 0.256 nan 8.290 nan 0.000 0.523 97 P HA 0.201 nan 4.420 nan 0.000 0.275 97 P C -0.381 176.720 177.300 -0.332 0.000 1.228 97 P CA -0.097 62.712 63.100 -0.484 0.000 0.786 97 P CB 1.054 32.236 31.700 -0.863 0.000 0.927 98 T N 3.689 118.114 114.554 -0.216 0.000 2.762 98 T HA 0.334 4.683 4.350 -0.002 0.000 0.303 98 T C 0.127 174.755 174.700 -0.120 0.000 0.977 98 T CA 0.022 62.132 62.100 0.016 0.000 0.961 98 T CB -0.784 68.287 68.868 0.338 0.000 0.944 98 T HN 0.111 nan 8.240 nan 0.000 0.481 99 F N 3.924 123.850 119.950 -0.041 0.000 2.459 99 F HA 0.462 4.988 4.527 -0.002 0.000 0.346 99 F C 0.933 176.685 175.800 -0.080 0.000 1.128 99 F CA -0.722 57.234 58.000 -0.072 0.000 1.268 99 F CB 0.473 39.446 39.000 -0.046 0.000 1.161 99 F HN 0.423 nan 8.300 nan 0.000 0.583 100 I N 0.719 121.340 120.570 0.085 0.000 2.865 100 I HA 0.856 5.025 4.170 -0.002 0.000 0.302 100 I C -1.167 174.970 176.117 0.034 0.000 1.140 100 I CA -1.310 59.971 61.300 -0.033 0.000 1.021 100 I CB 2.112 40.038 38.000 -0.123 0.000 1.233 100 I HN 0.418 nan 8.210 nan 0.000 0.427 101 V N 1.638 121.512 119.914 -0.066 0.000 3.160 101 V HA 0.816 4.935 4.120 -0.002 0.000 0.310 101 V C -0.829 175.267 176.094 0.003 0.000 1.181 101 V CA -0.780 61.539 62.300 0.032 0.000 1.047 101 V CB 2.058 33.819 31.823 -0.102 0.000 1.068 101 V HN 1.162 nan 8.190 nan 0.000 0.441 102 R N 0.643 121.160 120.500 0.028 0.000 2.808 102 R HA 0.672 5.011 4.340 -0.002 0.000 0.272 102 R C -0.158 176.169 176.300 0.045 0.000 0.995 102 R CA -1.048 55.041 56.100 -0.017 0.000 0.917 102 R CB 1.765 31.862 30.300 -0.338 0.000 1.217 102 R HN 0.500 nan 8.270 nan 0.000 0.471 103 K N 0.918 121.374 120.400 0.093 0.000 1.984 103 K HA -0.016 4.303 4.320 -0.002 0.000 0.209 103 K C 0.773 177.379 176.600 0.008 0.000 1.046 103 K CA 1.373 57.694 56.287 0.056 0.000 0.934 103 K CB -0.318 32.216 32.500 0.057 0.000 0.717 103 K HN 0.486 nan 8.250 nan 0.000 0.438 113 R N 1.584 122.143 120.500 0.097 0.000 2.734 113 R HA 0.233 4.572 4.340 -0.002 0.000 0.266 113 R C 0.289 176.697 176.300 0.180 0.000 1.044 113 R CA -0.003 56.167 56.100 0.117 0.000 1.128 113 R CB -0.056 30.311 30.300 0.112 0.000 1.010 113 R HN 0.272 nan 8.270 nan 0.000 0.461 114 N N 0.587 119.381 118.700 0.157 0.000 2.214 114 N HA 0.193 4.932 4.740 -0.002 0.000 0.214 114 N C -0.112 175.560 175.510 0.269 0.000 1.132 114 N CA 0.087 53.235 53.050 0.165 0.000 0.856 114 N CB 0.537 39.069 38.487 0.075 0.000 1.020 114 N HN 0.479 nan 8.380 nan 0.000 0.509 115 I N -0.008 120.732 120.570 0.283 0.000 2.730 115 I HA 0.688 4.856 4.170 -0.002 0.000 0.298 115 I C -1.447 174.768 176.117 0.163 0.000 1.089 115 I CA -0.789 60.656 61.300 0.241 0.000 1.041 115 I CB 1.868 39.963 38.000 0.160 0.000 1.235 115 I HN -0.075 nan 8.210 nan 0.000 0.423 116 A N 4.045 126.879 122.820 0.023 0.000 2.583 116 A HA 0.930 5.249 4.320 -0.002 0.000 0.289 116 A C -1.001 176.524 177.584 -0.099 0.000 1.151 116 A CA -0.382 51.578 52.037 -0.129 0.000 0.695 116 A CB 1.558 20.305 19.000 -0.423 0.000 1.290 116 A HN 0.867 nan 8.150 nan 0.000 0.419 117 G N -0.393 108.267 108.800 -0.233 0.000 2.571 117 G HA2 0.593 4.551 3.960 -0.002 0.000 0.304 117 G HA3 0.593 4.551 3.960 -0.002 0.000 0.304 117 G C -1.083 173.602 174.900 -0.359 0.000 1.314 117 G CA -0.541 44.273 45.100 -0.477 0.000 0.975 117 G HN 0.645 nan 8.290 nan 0.000 0.485 118 I N 1.315 121.616 120.570 -0.449 0.000 2.331 118 I HA 0.200 4.368 4.170 -0.002 0.000 0.292 118 I C -0.692 175.029 176.117 -0.660 0.000 0.998 118 I CA -0.552 60.421 61.300 -0.545 0.000 1.267 118 I CB 1.912 39.393 38.000 -0.865 0.000 1.386 118 I HN 0.292 nan 8.210 nan 0.000 0.476 119 D N 7.357 127.473 120.400 -0.474 0.000 2.485 119 D HA 0.198 4.837 4.640 -0.002 0.000 0.221 119 D C -0.732 175.430 176.300 -0.230 0.000 1.112 119 D CA -0.408 53.393 54.000 -0.333 0.000 0.911 119 D CB 0.312 40.986 40.800 -0.210 0.000 1.019 119 D HN 0.189 nan 8.370 nan 0.000 0.516 120 W N 2.317 123.597 121.300 -0.033 0.000 2.126 120 W HA 0.205 4.864 4.660 -0.002 0.000 0.346 120 W C 1.446 177.976 176.519 0.018 0.000 1.279 120 W CA -0.813 56.526 57.345 -0.009 0.000 1.259 120 W CB 0.224 29.659 29.460 -0.043 0.000 1.133 120 W HN 0.224 nan 8.180 nan 0.000 0.592 121 N N 0.812 119.696 118.700 0.306 0.000 2.371 121 N HA 0.224 4.963 4.740 -0.002 0.000 0.243 121 N C -1.413 174.235 175.510 0.229 0.000 1.287 121 N CA -0.142 53.039 53.050 0.218 0.000 0.911 121 N CB 0.308 38.894 38.487 0.164 0.000 1.142 121 N HN 0.308 nan 8.380 nan 0.000 0.451 122 F N 0.934 120.859 119.950 -0.042 0.000 2.641 122 F HA 0.358 4.884 4.527 -0.002 0.000 0.308 122 F C -0.607 174.945 175.800 -0.413 0.000 1.105 122 F CA -0.811 57.057 58.000 -0.219 0.000 0.964 122 F CB 1.170 40.073 39.000 -0.163 0.000 1.294 122 F HN 0.614 nan 8.300 nan 0.000 0.442 123 N N 3.095 120.892 118.700 -1.505 0.000 2.471 123 N HA 0.282 5.021 4.740 -0.002 0.000 0.270 123 N C -0.319 173.787 175.510 -2.341 0.000 1.490 123 N CA 0.216 52.087 53.050 -1.964 0.000 0.850 123 N CB 0.412 38.288 38.487 -1.019 0.000 1.411 123 N HN 1.244 nan 8.380 nan 0.000 0.488 124 A N 0.317 121.531 122.820 -2.677 0.000 2.791 124 A HA -0.171 4.148 4.320 -0.002 0.000 0.292 124 A C 0.520 177.558 177.584 -0.910 0.000 1.487 124 A CA 0.613 51.579 52.037 -1.784 0.000 0.760 124 A CB -2.659 15.722 19.000 -1.030 0.000 1.031 124 A HN 0.634 nan 8.150 nan 0.000 0.503 125 W N -3.258 117.513 121.300 -0.882 0.000 5.563 125 W HA -0.126 4.533 4.660 -0.002 0.000 0.396 125 W C 1.170 177.405 176.519 -0.474 0.000 1.519 125 W CA 0.890 57.913 57.345 -0.537 0.000 0.953 125 W CB -2.117 27.076 29.460 -0.447 0.000 2.691 125 W HN 2.430 nan 8.180 nan 0.000 1.444 126 G N -1.596 106.961 108.800 -0.406 0.000 2.273 126 G HA2 0.345 4.304 3.960 -0.002 0.000 0.162 126 G HA3 0.345 4.304 3.960 -0.002 0.000 0.162 126 G C 0.735 175.449 174.900 -0.310 0.000 1.006 126 G CA 0.457 45.388 45.100 -0.282 0.000 0.704 126 G HN 1.629 nan 8.290 nan 0.000 0.487 127 G N -0.243 108.233 108.800 -0.540 0.000 2.645 127 G HA2 0.238 4.197 3.960 -0.002 0.000 0.239 127 G HA3 0.238 4.197 3.960 -0.002 0.000 0.239 127 G C 1.298 176.166 174.900 -0.053 0.000 1.331 127 G CA 1.487 46.319 45.100 -0.446 0.000 0.890 127 G HN 1.813 nan 8.290 nan 0.000 0.572 128 A N -0.907 122.024 122.820 0.184 0.000 2.015 128 A HA -0.011 4.308 4.320 -0.002 0.000 0.219 128 A C 2.200 179.841 177.584 0.096 0.000 1.163 128 A CA 2.393 54.569 52.037 0.232 0.000 0.646 128 A CB -0.387 18.728 19.000 0.192 0.000 0.806 128 A HN 0.660 nan 8.150 nan 0.000 0.448 129 N N -0.743 117.979 118.700 0.036 0.000 2.207 129 N HA -0.071 4.668 4.740 -0.002 0.000 0.182 129 N C 0.417 175.917 175.510 -0.016 0.000 1.020 129 N CA 1.462 54.515 53.050 0.006 0.000 0.858 129 N CB 0.028 38.510 38.487 -0.009 0.000 0.991 129 N HN 0.393 nan 8.380 nan 0.000 0.427 130 D N -1.168 119.202 120.400 -0.049 0.000 2.538 130 D HA 0.204 4.843 4.640 -0.002 0.000 0.241 130 D C 0.240 176.477 176.300 -0.105 0.000 1.297 130 D CA -0.123 53.834 54.000 -0.071 0.000 0.804 130 D CB 0.490 41.242 40.800 -0.080 0.000 1.122 130 D HN 0.063 nan 8.370 nan 0.000 0.519 131 G N -0.482 108.244 108.800 -0.122 0.000 2.616 131 G HA2 0.228 4.187 3.960 -0.002 0.000 0.268 131 G HA3 0.228 4.187 3.960 -0.002 0.000 0.268 131 G C 1.116 175.953 174.900 -0.106 0.000 1.213 131 G CA -0.262 44.726 45.100 -0.187 0.000 0.926 131 G HN 0.297 nan 8.290 nan 0.000 0.523 132 C N -0.993 118.225 119.300 -0.137 0.000 2.634 132 C HA 0.349 4.808 4.460 -0.002 0.000 0.268 132 C C 0.186 175.209 174.990 0.055 0.000 1.322 132 C CA 0.019 58.974 59.018 -0.105 0.000 1.737 132 C CB -2.040 25.576 27.740 -0.206 0.000 1.976 132 C HN 0.608 nan 8.230 nan 0.000 0.547 133 Y N -3.387 117.048 120.300 0.224 0.000 2.670 133 Y HA 0.515 5.064 4.550 -0.002 0.000 0.334 133 Y C 0.282 176.388 175.900 0.343 0.000 1.185 133 Y CA -1.027 57.221 58.100 0.247 0.000 1.053 133 Y CB 0.060 38.681 38.460 0.268 0.000 1.298 133 Y HN -0.372 nan 8.280 nan 0.000 0.459 134 N N 0.244 119.251 118.700 0.513 0.000 2.422 134 N HA 0.032 4.771 4.740 -0.002 0.000 0.181 134 N C -1.082 174.537 175.510 0.182 0.000 1.080 134 N CA 0.898 54.144 53.050 0.327 0.000 0.893 134 N CB 0.223 38.813 38.487 0.171 0.000 0.973 134 N HN 0.704 nan 8.380 nan 0.000 0.456 135 D N -0.736 119.854 120.400 0.316 0.000 2.763 135 D HA 0.134 4.773 4.640 -0.002 0.000 0.235 135 D C -0.861 175.637 176.300 0.329 0.000 1.334 135 D CA -0.660 53.343 54.000 0.006 0.000 0.950 135 D CB 0.144 40.916 40.800 -0.047 0.000 1.433 135 D HN 0.133 nan 8.370 nan 0.000 0.580 136 W N 3.252 124.704 121.300 0.254 0.000 2.693 136 W HA 0.278 4.937 4.660 -0.002 0.000 0.415 136 W C 0.953 177.609 176.519 0.229 0.000 0.932 136 W CA -0.142 57.418 57.345 0.359 0.000 2.200 136 W CB -0.644 29.033 29.460 0.363 0.000 1.188 136 W HN 0.228 nan 8.180 nan 0.000 0.665 137 S N -0.638 115.036 115.700 -0.043 0.000 2.406 137 S HA -0.238 4.231 4.470 -0.002 0.000 0.228 137 S C 1.556 176.205 174.600 0.081 0.000 1.020 137 S CA 1.388 59.553 58.200 -0.059 0.000 0.965 137 S CB -0.736 62.345 63.200 -0.197 0.000 0.798 137 S HN 0.376 nan 8.310 nan 0.000 0.488 138 H N 2.165 121.316 119.070 0.135 0.000 2.333 138 H HA 0.055 4.610 4.556 -0.002 0.000 0.302 138 H C 1.699 177.118 175.328 0.152 0.000 1.075 138 H CA 1.457 57.581 56.048 0.127 0.000 1.348 138 H CB -0.728 29.113 29.762 0.131 0.000 1.393 138 H HN 0.423 nan 8.280 nan 0.000 0.509 139 D N 0.927 121.550 120.400 0.371 0.000 2.158 139 D HA -0.134 4.505 4.640 -0.002 0.000 0.197 139 D C 2.298 178.675 176.300 0.128 0.000 0.995 139 D CA 0.516 54.662 54.000 0.245 0.000 0.846 139 D CB -0.394 40.619 40.800 0.356 0.000 0.941 139 D HN 0.297 nan 8.370 nan 0.000 0.456 140 L N 0.021 121.393 121.223 0.249 0.000 2.353 140 L HA -0.092 4.247 4.340 -0.002 0.000 0.220 140 L C 2.010 178.925 176.870 0.074 0.000 1.133 140 L CA 0.459 55.412 54.840 0.189 0.000 0.798 140 L CB -0.088 42.110 42.059 0.232 0.000 0.922 140 L HN 0.042 nan 8.230 nan 0.000 0.445 141 L N -2.215 119.047 121.223 0.065 0.000 2.640 141 L HA 0.036 4.375 4.340 -0.002 0.000 0.230 141 L C 2.106 178.943 176.870 -0.055 0.000 1.123 141 L CA -0.321 54.526 54.840 0.012 0.000 0.900 141 L CB 0.283 42.371 42.059 0.048 0.000 1.146 141 L HN -0.037 nan 8.230 nan 0.000 0.484 142 V N -0.371 119.490 119.914 -0.089 0.000 2.295 142 V HA -0.272 3.847 4.120 -0.002 0.000 0.246 142 V C 2.522 178.430 176.094 -0.309 0.000 1.049 142 V CA 2.188 64.368 62.300 -0.200 0.000 1.024 142 V CB -0.197 31.448 31.823 -0.297 0.000 0.648 142 V HN 0.402 nan 8.190 nan 0.000 0.447 143 S N -0.746 114.771 115.700 -0.305 0.000 2.368 143 S HA -0.175 4.294 4.470 -0.002 0.000 0.225 143 S C 2.090 176.506 174.600 -0.308 0.000 1.030 143 S CA 1.391 59.376 58.200 -0.359 0.000 0.999 143 S CB -0.286 62.723 63.200 -0.319 0.000 0.844 143 S HN 0.513 nan 8.310 nan 0.000 0.459 144 R N 1.105 121.478 120.500 -0.211 0.000 2.081 144 R HA -0.030 4.308 4.340 -0.002 0.000 0.235 144 R C 2.345 178.547 176.300 -0.162 0.000 1.131 144 R CA 1.309 57.308 56.100 -0.170 0.000 0.960 144 R CB -0.170 30.065 30.300 -0.109 0.000 0.856 144 R HN 0.323 nan 8.270 nan 0.000 0.436 145 K N 0.298 120.608 120.400 -0.149 0.000 2.057 145 K HA -0.066 4.253 4.320 -0.002 0.000 0.206 145 K C 2.062 178.567 176.600 -0.158 0.000 1.050 145 K CA 1.154 57.374 56.287 -0.111 0.000 0.935 145 K CB -0.072 32.391 32.500 -0.063 0.000 0.715 145 K HN 0.132 nan 8.250 nan 0.000 0.439 146 I N 1.133 121.522 120.570 -0.302 0.000 2.179 146 I HA -0.302 3.866 4.170 -0.002 0.000 0.242 146 I C 2.114 178.010 176.117 -0.368 0.000 1.088 146 I CA 1.324 62.315 61.300 -0.516 0.000 1.357 146 I CB -0.235 37.227 38.000 -0.896 0.000 1.051 146 I HN 0.123 nan 8.210 nan 0.000 0.409 147 L N 0.319 121.353 121.223 -0.315 0.000 2.093 147 L HA -0.155 4.184 4.340 -0.002 0.000 0.208 147 L C 2.816 179.625 176.870 -0.101 0.000 1.085 147 L CA 1.103 55.823 54.840 -0.200 0.000 0.755 147 L CB -0.714 41.191 42.059 -0.257 0.000 0.904 147 L HN 0.227 nan 8.230 nan 0.000 0.435 148 A N 0.184 122.942 122.820 -0.102 0.000 1.902 148 A HA -0.213 4.106 4.320 -0.002 0.000 0.217 148 A C 2.208 179.789 177.584 -0.005 0.000 1.181 148 A CA 1.576 53.582 52.037 -0.052 0.000 0.623 148 A CB -0.634 18.334 19.000 -0.053 0.000 0.818 148 A HN 0.335 nan 8.150 nan 0.000 0.443 149 L N -0.575 120.655 121.223 0.013 0.000 2.201 149 L HA -0.053 4.286 4.340 -0.002 0.000 0.212 149 L C 1.599 178.552 176.870 0.139 0.000 1.105 149 L CA 1.938 56.833 54.840 0.092 0.000 0.775 149 L CB -0.321 41.833 42.059 0.159 0.000 0.913 149 L HN 0.314 nan 8.230 nan 0.000 0.440 150 E N 0.237 120.520 120.200 0.139 0.000 2.479 150 E HA 0.067 4.416 4.350 -0.002 0.000 0.193 150 E C 0.107 176.768 176.600 0.101 0.000 1.049 150 E CA -0.010 56.493 56.400 0.170 0.000 0.870 150 E CB 0.168 30.016 29.700 0.246 0.000 0.944 150 E HN 0.429 nan 8.360 nan 0.000 0.492 151 R N 0.437 120.969 120.500 0.054 0.000 3.336 151 R HA -0.168 4.171 4.340 -0.002 0.000 0.260 151 R C -0.383 175.933 176.300 0.027 0.000 1.032 151 R CA 0.394 56.509 56.100 0.026 0.000 0.693 151 R CB -2.129 28.189 30.300 0.030 0.000 1.134 151 R HN 0.156 nan 8.270 nan 0.000 0.433 152 I N 1.077 121.661 120.570 0.023 0.000 2.404 152 I HA 0.351 4.519 4.170 -0.002 0.000 0.293 152 I C -1.741 174.342 176.117 -0.056 0.000 0.992 152 I CA -2.681 58.636 61.300 0.028 0.000 1.149 152 I CB 1.719 39.797 38.000 0.130 0.000 1.315 152 I HN -0.140 nan 8.210 nan 0.000 0.446 153 P HA 0.136 nan 4.420 nan 0.000 0.271 153 P C -0.989 176.154 177.300 -0.261 0.000 1.233 153 P CA -0.391 62.594 63.100 -0.191 0.000 0.789 153 P CB 0.575 32.142 31.700 -0.222 0.000 0.951 154 R N 0.976 121.259 120.500 -0.362 0.000 2.538 154 R HA 0.499 4.838 4.340 -0.002 0.000 0.292 154 R C -1.306 174.736 176.300 -0.431 0.000 1.008 154 R CA -0.522 55.385 56.100 -0.321 0.000 0.896 154 R CB 0.672 30.821 30.300 -0.252 0.000 1.187 154 R HN 0.265 nan 8.270 nan 0.000 0.440 155 F N 2.037 121.827 119.950 -0.267 0.000 2.422 155 F HA 0.368 4.894 4.527 -0.002 0.000 0.333 155 F C 0.374 176.084 175.800 -0.149 0.000 1.095 155 F CA -0.395 57.493 58.000 -0.186 0.000 1.038 155 F CB 1.993 40.875 39.000 -0.196 0.000 1.156 155 F HN 0.345 nan 8.300 nan 0.000 0.483 156 Q N 2.931 122.786 119.800 0.092 0.000 2.337 156 Q HA 0.286 4.625 4.340 -0.002 0.000 0.266 156 Q C -1.517 174.486 176.000 0.004 0.000 1.023 156 Q CA -0.724 55.081 55.803 0.002 0.000 0.829 156 Q CB 1.352 30.073 28.738 -0.028 0.000 1.306 156 Q HN 0.646 nan 8.270 nan 0.000 0.449 157 H N 0.955 119.976 119.070 -0.082 0.000 2.573 157 H HA 0.417 4.972 4.556 -0.002 0.000 0.351 157 H C -0.502 174.833 175.328 0.013 0.000 1.163 157 H CA -0.103 55.886 56.048 -0.098 0.000 1.205 157 H CB 1.937 31.582 29.762 -0.196 0.000 1.605 157 H HN 0.867 nan 8.280 nan 0.000 0.525 161 L N 5.449 126.582 121.223 -0.151 0.000 2.556 161 L HA 0.587 4.926 4.340 -0.002 0.000 0.257 161 L C -1.533 175.160 176.870 -0.296 0.000 0.955 161 L CA -0.051 54.537 54.840 -0.420 0.000 0.850 161 L CB 2.422 43.829 42.059 -1.088 0.000 1.398 161 L HN 0.495 nan 8.230 nan 0.000 0.412 162 E N 1.312 121.352 120.200 -0.267 0.000 2.212 162 E HA 0.535 4.884 4.350 -0.002 0.000 0.268 162 E C 0.701 177.161 176.600 -0.234 0.000 0.902 162 E CA 0.026 56.367 56.400 -0.098 0.000 0.779 162 E CB 1.725 31.511 29.700 0.144 0.000 1.172 162 E HN 0.689 nan 8.360 nan 0.000 0.409 163 G N 2.005 110.761 108.800 -0.074 0.000 2.475 163 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.220 163 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.220 163 G C 1.261 176.073 174.900 -0.146 0.000 1.125 163 G CA 0.730 45.798 45.100 -0.052 0.000 0.755 163 G HN 0.639 nan 8.290 nan 0.000 0.565 164 G N 0.369 109.063 108.800 -0.175 0.000 2.625 164 G HA2 0.007 3.966 3.960 -0.002 0.000 0.214 164 G HA3 0.007 3.966 3.960 -0.002 0.000 0.214 164 G C 1.868 176.352 174.900 -0.693 0.000 1.132 164 G CA 1.374 46.294 45.100 -0.299 0.000 0.782 164 G HN 0.699 nan 8.290 nan 0.000 0.538 165 S N -0.276 114.977 115.700 -0.745 0.000 2.575 165 S HA 0.352 4.821 4.470 -0.002 0.000 0.215 165 S C 0.715 175.122 174.600 -0.322 0.000 0.966 165 S CA -0.435 57.436 58.200 -0.548 0.000 0.911 165 S CB -0.332 62.627 63.200 -0.401 0.000 0.780 165 S HN 0.459 nan 8.310 nan 0.000 0.514 166 I N -1.247 119.140 120.570 -0.305 0.000 2.608 166 I HA 0.676 4.845 4.170 -0.002 0.000 0.295 166 I C -1.004 175.027 176.117 -0.144 0.000 1.049 166 I CA -0.994 60.197 61.300 -0.181 0.000 1.063 166 I CB 1.700 39.609 38.000 -0.151 0.000 1.248 166 I HN -0.066 nan 8.210 nan 0.000 0.424 167 H N 3.585 122.669 119.070 0.024 0.000 2.806 167 H HA 0.760 5.314 4.556 -0.002 0.000 0.367 167 H C -1.117 174.354 175.328 0.239 0.000 1.136 167 H CA -0.533 55.589 56.048 0.123 0.000 1.178 167 H CB 2.733 32.550 29.762 0.091 0.000 1.718 167 H HN 0.686 nan 8.280 nan 0.000 0.540 168 V N 0.174 120.317 119.914 0.381 0.000 3.001 168 V HA 0.376 4.495 4.120 -0.002 0.000 0.314 168 V C 0.407 176.396 176.094 -0.174 0.000 1.099 168 V CA -0.881 61.498 62.300 0.133 0.000 0.989 168 V CB 2.322 34.165 31.823 0.034 0.000 1.040 168 V HN 0.801 nan 8.190 nan 0.000 0.434 169 D N 0.405 120.447 120.400 -0.596 0.000 2.349 169 D HA 0.236 4.875 4.640 -0.002 0.000 0.214 169 D C 1.429 177.562 176.300 -0.279 0.000 1.063 169 D CA 0.757 54.359 54.000 -0.662 0.000 0.847 169 D CB 0.458 40.609 40.800 -1.082 0.000 0.933 169 D HN 1.758 nan 8.370 nan 0.000 0.513 170 G N 0.597 109.273 108.800 -0.207 0.000 2.184 170 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.264 170 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.264 170 G C 0.593 175.458 174.900 -0.058 0.000 0.975 170 G CA 0.410 45.478 45.100 -0.054 0.000 0.642 170 G HN 0.478 nan 8.290 nan 0.000 0.536 171 E N -0.610 119.526 120.200 -0.108 0.000 2.624 171 E HA 0.433 4.782 4.350 -0.002 0.000 0.210 171 E C 1.508 178.034 176.600 -0.124 0.000 0.997 171 E CA 0.305 56.639 56.400 -0.110 0.000 0.999 171 E CB 0.546 30.201 29.700 -0.074 0.000 1.040 171 E HN 1.265 nan 8.360 nan 0.000 0.469 172 G N 1.227 109.948 108.800 -0.131 0.000 2.211 172 G HA2 -0.201 3.757 3.960 -0.002 0.000 0.201 172 G HA3 -0.201 3.757 3.960 -0.002 0.000 0.201 172 G C 0.448 175.246 174.900 -0.170 0.000 0.997 172 G CA -0.036 44.987 45.100 -0.128 0.000 0.652 172 G HN 0.203 nan 8.290 nan 0.000 0.500 173 T N 0.371 114.817 114.554 -0.179 0.000 2.907 173 T HA 0.558 4.907 4.350 -0.002 0.000 0.284 173 T C -0.281 174.338 174.700 -0.135 0.000 1.004 173 T CA 0.134 62.136 62.100 -0.163 0.000 1.063 173 T CB 2.365 71.201 68.868 -0.055 0.000 0.992 173 T HN 0.811 nan 8.240 nan 0.000 0.483 174 C N 4.109 123.288 119.300 -0.202 0.000 2.441 174 C HA 0.774 5.233 4.460 -0.002 0.000 0.318 174 C C -0.883 174.113 174.990 0.009 0.000 1.222 174 C CA -0.899 58.064 59.018 -0.092 0.000 1.474 174 C CB -0.221 27.339 27.740 -0.301 0.000 2.125 174 C HN 0.871 nan 8.230 nan 0.000 0.479 175 L N 8.111 129.406 121.223 0.120 0.000 2.305 175 L HA 0.872 5.211 4.340 -0.002 0.000 0.284 175 L C -0.223 176.595 176.870 -0.086 0.000 1.013 175 L CA 0.147 54.980 54.840 -0.011 0.000 0.819 175 L CB 1.490 43.476 42.059 -0.120 0.000 1.227 175 L HN 0.727 nan 8.230 nan 0.000 0.417 176 V N 0.839 120.622 119.914 -0.217 0.000 3.182 176 V HA 0.875 4.994 4.120 -0.002 0.000 0.308 176 V C -0.392 175.612 176.094 -0.149 0.000 1.240 176 V CA -0.210 61.917 62.300 -0.289 0.000 1.063 176 V CB 1.762 33.191 31.823 -0.655 0.000 1.076 176 V HN 0.827 nan 8.190 nan 0.000 0.446 177 T N -2.588 111.946 114.554 -0.033 0.000 2.856 177 T HA 0.563 4.911 4.350 -0.002 0.000 0.283 177 T C 0.426 175.315 174.700 0.316 0.000 1.008 177 T CA -0.244 61.938 62.100 0.136 0.000 0.997 177 T CB 2.051 70.975 68.868 0.093 0.000 0.992 177 T HN 0.800 nan 8.240 nan 0.000 0.454 178 E N 0.882 121.318 120.200 0.393 0.000 2.106 178 E HA -0.164 4.184 4.350 -0.002 0.000 0.192 178 E C 1.842 178.524 176.600 0.137 0.000 0.984 178 E CA 1.008 57.582 56.400 0.291 0.000 0.806 178 E CB 0.038 29.802 29.700 0.106 0.000 0.750 178 E HN 0.914 nan 8.360 nan 0.000 0.458 179 E N 0.375 120.634 120.200 0.099 0.000 2.130 179 E HA -0.261 4.087 4.350 -0.002 0.000 0.196 179 E C 2.038 178.665 176.600 0.045 0.000 0.998 179 E CA 1.404 57.833 56.400 0.048 0.000 0.806 179 E CB -0.053 29.668 29.700 0.036 0.000 0.738 179 E HN 0.277 nan 8.360 nan 0.000 0.459 180 C N -0.369 118.979 119.300 0.080 0.000 2.668 180 C HA 0.109 4.568 4.460 -0.002 0.000 0.283 180 C C 2.571 177.598 174.990 0.062 0.000 1.317 180 C CA 0.101 59.164 59.018 0.075 0.000 1.696 180 C CB -1.064 26.758 27.740 0.136 0.000 2.138 180 C HN 0.478 nan 8.230 nan 0.000 0.520 181 L N 1.050 122.337 121.223 0.106 0.000 2.093 181 L HA -0.045 4.293 4.340 -0.002 0.000 0.208 181 L C 2.080 178.983 176.870 0.054 0.000 1.085 181 L CA 1.311 56.204 54.840 0.087 0.000 0.755 181 L CB -0.522 41.654 42.059 0.196 0.000 0.904 181 L HN 0.429 nan 8.230 nan 0.000 0.435 182 L N -0.738 120.519 121.223 0.057 0.000 2.612 182 L HA 0.059 4.397 4.340 -0.002 0.000 0.230 182 L C 0.907 177.752 176.870 -0.042 0.000 1.140 182 L CA -0.275 54.542 54.840 -0.038 0.000 0.896 182 L CB -0.631 41.359 42.059 -0.116 0.000 1.065 182 L HN 0.262 nan 8.230 nan 0.000 0.447 183 N N 2.208 120.893 118.700 -0.024 0.000 2.492 183 N HA -0.060 4.679 4.740 -0.002 0.000 0.260 183 N C 1.193 176.678 175.510 -0.042 0.000 1.215 183 N CA 0.054 53.084 53.050 -0.035 0.000 0.923 183 N CB 1.060 39.527 38.487 -0.034 0.000 1.092 183 N HN 0.116 nan 8.380 nan 0.000 0.448 184 K N 2.712 123.088 120.400 -0.040 0.000 2.515 184 K HA -0.132 4.187 4.320 -0.002 0.000 0.196 184 K C 0.501 177.080 176.600 -0.036 0.000 1.038 184 K CA 1.083 57.350 56.287 -0.033 0.000 0.967 184 K CB -0.336 32.146 32.500 -0.029 0.000 0.780 184 K HN 0.606 nan 8.250 nan 0.000 0.483 185 N N 0.212 118.880 118.700 -0.053 0.000 2.398 185 N HA -0.022 4.717 4.740 -0.002 0.000 0.188 185 N C 1.072 176.520 175.510 -0.102 0.000 1.122 185 N CA 0.076 53.079 53.050 -0.077 0.000 0.866 185 N CB 0.255 38.686 38.487 -0.094 0.000 0.970 185 N HN 0.020 nan 8.380 nan 0.000 0.462 186 R N 0.388 120.841 120.500 -0.078 0.000 1.933 186 R HA 0.301 4.639 4.340 -0.002 0.000 0.167 186 R C -0.198 176.084 176.300 -0.029 0.000 1.823 186 R CA 0.373 56.419 56.100 -0.090 0.000 1.418 186 R CB -0.712 29.535 30.300 -0.088 0.000 1.174 186 R HN 0.169 nan 8.270 nan 0.000 0.476 187 N N 2.232 120.922 118.700 -0.017 0.000 2.844 187 N HA 0.209 4.948 4.740 -0.002 0.000 0.268 187 N C -2.126 173.380 175.510 -0.008 0.000 1.574 187 N CA -0.922 52.146 53.050 0.031 0.000 0.838 187 N CB 1.781 40.198 38.487 -0.117 0.000 1.177 187 N HN 0.124 nan 8.380 nan 0.000 0.495 188 P HA -0.091 nan 4.420 nan 0.000 0.233 188 P C 0.368 177.708 177.300 0.067 0.000 1.167 188 P CA 0.873 64.001 63.100 0.047 0.000 0.770 188 P CB 0.118 31.846 31.700 0.047 0.000 0.837 192 K N 0.565 120.840 120.400 -0.207 0.000 2.044 192 K HA -0.190 4.129 4.320 -0.002 0.000 0.210 192 K C 1.429 177.913 176.600 -0.194 0.000 1.049 192 K CA 2.407 58.522 56.287 -0.287 0.000 0.927 192 K CB -0.410 31.809 32.500 -0.469 0.000 0.713 192 K HN 0.612 nan 8.250 nan 0.000 0.443 193 E N 0.594 120.703 120.200 -0.150 0.000 2.106 193 E HA -0.160 4.189 4.350 -0.002 0.000 0.192 193 E C 2.065 178.628 176.600 -0.062 0.000 0.984 193 E CA 1.270 57.614 56.400 -0.093 0.000 0.806 193 E CB -0.008 29.655 29.700 -0.062 0.000 0.750 193 E HN 0.398 nan 8.360 nan 0.000 0.458 194 Q N -0.231 119.529 119.800 -0.066 0.000 2.119 194 Q HA -0.042 4.297 4.340 -0.002 0.000 0.201 194 Q C 2.154 178.126 176.000 -0.045 0.000 0.972 194 Q CA 0.864 56.642 55.803 -0.042 0.000 0.847 194 Q CB -0.044 28.657 28.738 -0.061 0.000 0.903 194 Q HN 0.325 nan 8.270 nan 0.000 0.433 195 I N 0.746 121.266 120.570 -0.082 0.000 2.252 195 I HA -0.259 3.910 4.170 -0.002 0.000 0.245 195 I C 2.043 178.111 176.117 -0.082 0.000 1.102 195 I CA 1.164 62.415 61.300 -0.081 0.000 1.385 195 I CB -0.156 37.811 38.000 -0.054 0.000 1.064 195 I HN 0.218 nan 8.210 nan 0.000 0.414 196 E N 0.534 120.636 120.200 -0.163 0.000 2.058 196 E HA -0.244 4.104 4.350 -0.002 0.000 0.194 196 E C 2.104 178.734 176.600 0.051 0.000 0.997 196 E CA 1.195 57.381 56.400 -0.357 0.000 0.801 196 E CB -0.078 29.341 29.700 -0.468 0.000 0.746 196 E HN 0.406 nan 8.360 nan 0.000 0.450 197 E N 0.714 120.958 120.200 0.074 0.000 2.110 197 E HA -0.183 4.166 4.350 -0.002 0.000 0.193 197 E C 1.973 178.697 176.600 0.206 0.000 0.988 197 E CA 0.845 57.335 56.400 0.150 0.000 0.804 197 E CB -0.089 29.677 29.700 0.110 0.000 0.745 197 E HN 0.265 nan 8.360 nan 0.000 0.458 198 E N 0.670 120.975 120.200 0.176 0.000 2.072 198 E HA -0.083 4.266 4.350 -0.002 0.000 0.191 198 E C 2.444 179.246 176.600 0.336 0.000 0.985 198 E CA 0.444 56.997 56.400 0.255 0.000 0.801 198 E CB -0.328 29.430 29.700 0.096 0.000 0.750 198 E HN 0.295 nan 8.360 nan 0.000 0.452 199 L N 0.721 122.105 121.223 0.268 0.000 2.093 199 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 199 L C 2.440 179.548 176.870 0.397 0.000 1.085 199 L CA 1.134 56.190 54.840 0.361 0.000 0.755 199 L CB -0.333 41.951 42.059 0.375 0.000 0.904 199 L HN 0.062 nan 8.230 nan 0.000 0.435 200 K N 0.309 120.954 120.400 0.408 0.000 2.057 200 K HA -0.186 4.133 4.320 -0.002 0.000 0.207 200 K C 2.132 178.867 176.600 0.225 0.000 1.049 200 K CA 1.365 57.821 56.287 0.283 0.000 0.931 200 K CB -0.078 32.583 32.500 0.269 0.000 0.714 200 K HN 0.260 nan 8.250 nan 0.000 0.440 201 K N -0.537 120.024 120.400 0.269 0.000 2.148 201 K HA -0.117 4.202 4.320 -0.002 0.000 0.204 201 K C 1.777 178.427 176.600 0.083 0.000 1.050 201 K CA 1.224 57.630 56.287 0.199 0.000 0.942 201 K CB 0.033 32.711 32.500 0.297 0.000 0.724 201 K HN 0.155 nan 8.250 nan 0.000 0.446 202 Y N -0.008 120.374 120.300 0.136 0.000 2.479 202 Y HA 0.119 4.668 4.550 -0.002 0.000 0.283 202 Y C 1.672 177.616 175.900 0.074 0.000 1.109 202 Y CA 0.451 58.590 58.100 0.066 0.000 1.239 202 Y CB 0.388 38.965 38.460 0.194 0.000 1.108 202 Y HN -0.121 nan 8.280 nan 0.000 0.548 203 L N -1.678 119.711 121.223 0.276 0.000 2.585 203 L HA 0.310 4.649 4.340 -0.002 0.000 0.226 203 L C 1.383 178.352 176.870 0.164 0.000 1.113 203 L CA 0.631 55.596 54.840 0.207 0.000 0.876 203 L CB -0.239 41.955 42.059 0.225 0.000 1.072 203 L HN 0.311 nan 8.230 nan 0.000 0.468 204 G N 1.663 110.547 108.800 0.140 0.000 2.198 204 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.257 204 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.257 204 G C 0.174 175.114 174.900 0.067 0.000 1.042 204 G CA 0.313 45.488 45.100 0.124 0.000 0.791 204 G HN 0.253 nan 8.290 nan 0.000 0.502 205 V N -3.896 116.040 119.914 0.037 0.000 2.966 205 V HA 0.882 5.001 4.120 -0.002 0.000 0.317 205 V C 0.766 176.812 176.094 -0.082 0.000 1.070 205 V CA -0.265 61.987 62.300 -0.079 0.000 1.008 205 V CB 1.833 33.525 31.823 -0.220 0.000 1.070 205 V HN 0.125 nan 8.190 nan 0.000 0.457 206 Q N 0.793 120.505 119.800 -0.146 0.000 2.322 206 Q HA 0.417 4.756 4.340 -0.002 0.000 0.250 206 Q C 0.603 176.551 176.000 -0.087 0.000 0.853 206 Q CA 0.605 56.369 55.803 -0.066 0.000 0.951 206 Q CB 1.204 29.919 28.738 -0.038 0.000 1.114 206 Q HN 0.909 nan 8.270 nan 0.000 0.523 207 S N -0.584 114.937 115.700 -0.298 0.000 2.533 207 S HA 0.676 5.145 4.470 -0.002 0.000 0.271 207 S C -1.842 172.485 174.600 -0.455 0.000 1.143 207 S CA -0.667 57.419 58.200 -0.191 0.000 0.891 207 S CB 0.464 63.643 63.200 -0.034 0.000 1.105 207 S HN 0.092 nan 8.310 nan 0.000 0.468 208 F N 2.787 122.783 119.950 0.077 0.000 2.492 208 F HA 0.659 5.185 4.527 -0.002 0.000 0.327 208 F C 0.125 175.941 175.800 0.026 0.000 1.079 208 F CA -0.807 57.186 58.000 -0.012 0.000 0.967 208 F CB 1.531 40.494 39.000 -0.062 0.000 1.169 208 F HN 0.377 nan 8.300 nan 0.000 0.472 209 I N 1.772 122.393 120.570 0.085 0.000 2.382 209 I HA 0.188 4.357 4.170 -0.002 0.000 0.285 209 I C -1.490 174.638 176.117 0.018 0.000 1.007 209 I CA -0.450 60.912 61.300 0.103 0.000 1.142 209 I CB 1.089 39.134 38.000 0.075 0.000 1.289 209 I HN 0.554 nan 8.210 nan 0.000 0.453 210 W N 7.595 128.962 121.300 0.111 0.000 2.288 210 W HA 0.470 5.129 4.660 -0.002 0.000 0.325 210 W C -0.374 176.167 176.519 0.037 0.000 1.019 210 W CA -0.400 56.986 57.345 0.069 0.000 1.403 210 W CB 0.779 30.265 29.460 0.043 0.000 1.226 210 W HN 0.207 nan 8.180 nan 0.000 0.391 211 L N 6.289 127.632 121.223 0.199 0.000 2.349 211 L HA 0.179 4.517 4.340 -0.002 0.000 0.275 211 L C -1.276 175.688 176.870 0.156 0.000 1.115 211 L CA -1.682 53.238 54.840 0.134 0.000 0.820 211 L CB 0.939 43.038 42.059 0.067 0.000 1.135 211 L HN 0.155 nan 8.230 nan 0.000 0.445 212 P HA -0.041 nan 4.420 nan 0.000 0.217 212 P C -0.140 177.203 177.300 0.072 0.000 1.150 212 P CA 1.332 64.484 63.100 0.086 0.000 0.832 212 P CB 0.327 32.053 31.700 0.042 0.000 0.787 213 R N -1.480 119.052 120.500 0.054 0.000 2.771 213 R HA 0.596 4.935 4.340 -0.002 0.000 0.274 213 R C 0.398 176.720 176.300 0.037 0.000 0.987 213 R CA -0.718 55.405 56.100 0.039 0.000 0.908 213 R CB 1.895 32.208 30.300 0.022 0.000 1.213 213 R HN -0.014 nan 8.270 nan 0.000 0.468 214 G N 0.971 109.790 108.800 0.032 0.000 2.574 214 G HA2 0.342 4.301 3.960 -0.002 0.000 0.248 214 G HA3 0.342 4.301 3.960 -0.002 0.000 0.248 214 G C -0.886 174.024 174.900 0.016 0.000 1.422 214 G CA -0.598 44.517 45.100 0.026 0.000 1.051 214 G HN 0.359 nan 8.290 nan 0.000 0.560 215 L N -0.388 120.838 121.223 0.004 0.000 2.416 215 L HA 0.338 4.676 4.340 -0.002 0.000 0.272 215 L C -0.091 176.780 176.870 0.001 0.000 1.161 215 L CA -0.657 54.183 54.840 0.000 0.000 0.845 215 L CB 0.571 42.615 42.059 -0.026 0.000 1.119 215 L HN 0.468 nan 8.230 nan 0.000 0.464 216 Y N 4.935 125.185 120.300 -0.085 0.000 2.620 216 Y HA 0.379 4.928 4.550 -0.002 0.000 0.330 216 Y C 1.193 177.029 175.900 -0.107 0.000 1.186 216 Y CA 0.713 58.761 58.100 -0.088 0.000 1.467 216 Y CB 0.553 38.962 38.460 -0.084 0.000 1.262 216 Y HN 0.839 nan 8.280 nan 0.000 0.550 217 G N 4.261 112.560 108.800 -0.836 0.000 2.194 217 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.236 217 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.236 217 G C 0.402 175.070 174.900 -0.386 0.000 0.987 217 G CA 0.255 44.950 45.100 -0.675 0.000 0.635 217 G HN 0.678 nan 8.290 nan 0.000 0.520 218 D N 0.469 120.694 120.400 -0.291 0.000 2.587 218 D HA 0.359 4.998 4.640 -0.002 0.000 0.233 218 D C 1.613 177.772 176.300 -0.235 0.000 1.213 218 D CA 0.115 53.964 54.000 -0.252 0.000 0.827 218 D CB 0.155 40.843 40.800 -0.187 0.000 1.006 218 D HN 0.371 nan 8.370 nan 0.000 0.490 219 E N 0.094 120.158 120.200 -0.226 0.000 2.160 219 E HA -0.165 4.184 4.350 -0.002 0.000 0.195 219 E C 1.102 177.579 176.600 -0.205 0.000 0.991 219 E CA 1.247 57.539 56.400 -0.179 0.000 0.810 219 E CB 0.156 29.763 29.700 -0.155 0.000 0.742 219 E HN 0.226 nan 8.360 nan 0.000 0.466 220 D N -0.928 119.312 120.400 -0.266 0.000 2.219 220 D HA -0.107 4.532 4.640 -0.002 0.000 0.205 220 D C 1.726 177.801 176.300 -0.374 0.000 0.970 220 D CA 1.759 55.576 54.000 -0.305 0.000 0.851 220 D CB -0.248 40.336 40.800 -0.360 0.000 0.943 220 D HN 0.416 nan 8.370 nan 0.000 0.488 221 T N -2.418 111.862 114.554 -0.455 0.000 3.081 221 T HA 0.004 4.353 4.350 -0.002 0.000 0.250 221 T C 0.425 174.960 174.700 -0.275 0.000 1.100 221 T CA 0.042 61.825 62.100 -0.527 0.000 1.038 221 T CB -0.179 68.095 68.868 -0.990 0.000 0.962 221 T HN 0.018 nan 8.240 nan 0.000 0.516 222 N N 0.951 119.535 118.700 -0.194 0.000 2.783 222 N HA -0.068 4.671 4.740 -0.002 0.000 0.247 222 N C 0.555 176.037 175.510 -0.047 0.000 1.089 222 N CA 0.545 53.537 53.050 -0.096 0.000 0.690 222 N CB -1.669 36.784 38.487 -0.056 0.000 0.991 222 N HN 0.944 nan 8.380 nan 0.000 0.552 223 G N -0.280 108.472 108.800 -0.080 0.000 2.291 223 G HA2 -0.349 3.609 3.960 -0.002 0.000 0.271 223 G HA3 -0.349 3.609 3.960 -0.002 0.000 0.271 223 G C -0.207 174.744 174.900 0.086 0.000 1.099 223 G CA 0.069 45.163 45.100 -0.010 0.000 0.919 223 G HN 0.818 nan 8.290 nan 0.000 0.496 224 H N -1.255 117.791 119.070 -0.040 0.000 3.115 224 H HA 0.058 4.613 4.556 -0.002 0.000 0.324 224 H C 1.881 177.199 175.328 -0.018 0.000 1.007 224 H CA 0.091 56.125 56.048 -0.023 0.000 1.385 224 H CB 0.801 30.555 29.762 -0.014 0.000 1.351 224 H HN 0.267 nan 8.280 nan 0.000 0.592 225 I N 2.878 123.477 120.570 0.048 0.000 2.335 225 I HA -0.281 3.888 4.170 -0.002 0.000 0.251 225 I C 2.089 178.243 176.117 0.062 0.000 1.129 225 I CA 1.675 62.991 61.300 0.027 0.000 1.402 225 I CB -0.319 37.673 38.000 -0.014 0.000 1.069 225 I HN 0.760 nan 8.210 nan 0.000 0.424 226 D N -0.581 119.824 120.400 0.010 0.000 2.378 226 D HA -0.110 4.529 4.640 -0.002 0.000 0.222 226 D C 0.622 176.961 176.300 0.065 0.000 0.980 226 D CA 0.399 54.410 54.000 0.019 0.000 0.907 226 D CB -0.683 40.077 40.800 -0.067 0.000 0.899 226 D HN 0.337 nan 8.370 nan 0.000 0.527 230 C N 2.530 121.711 119.300 -0.198 0.000 3.241 230 C HA 0.857 5.316 4.460 -0.002 0.000 0.312 230 C C -0.781 174.031 174.990 -0.297 0.000 1.350 230 C CA -0.886 57.856 59.018 -0.459 0.000 1.415 230 C CB 0.565 27.937 27.740 -0.614 0.000 1.770 230 C HN 0.864 nan 8.230 nan 0.000 0.466 231 F N 1.105 121.001 119.950 -0.090 0.000 2.471 231 F HA 0.522 5.048 4.527 -0.002 0.000 0.353 231 F C 1.330 177.304 175.800 0.290 0.000 1.113 231 F CA 0.556 58.651 58.000 0.158 0.000 1.262 231 F CB 0.985 40.196 39.000 0.352 0.000 1.146 231 F HN 0.955 nan 8.300 nan 0.000 0.578 232 A N 3.494 126.492 122.820 0.296 0.000 2.014 232 A HA 0.319 4.638 4.320 -0.002 0.000 0.210 232 A C 0.523 177.836 177.584 -0.451 0.000 1.188 232 A CA 0.328 52.375 52.037 0.016 0.000 0.731 232 A CB 0.090 18.893 19.000 -0.327 0.000 0.858 232 A HN 0.814 nan 8.150 nan 0.000 0.464 233 R N -2.737 117.501 120.500 -0.438 0.000 2.774 233 R HA 0.382 4.721 4.340 -0.002 0.000 0.279 233 R C -3.516 172.683 176.300 -0.168 0.000 1.022 233 R CA -1.731 53.890 56.100 -0.797 0.000 0.855 233 R CB -0.181 29.762 30.300 -0.595 0.000 1.279 233 R HN -0.198 nan 8.270 nan 0.000 0.485 234 P HA 0.074 nan 4.420 nan 0.000 0.264 234 P C 0.519 177.836 177.300 0.028 0.000 1.193 234 P CA 1.736 64.848 63.100 0.019 0.000 0.763 234 P CB 0.635 32.349 31.700 0.024 0.000 0.810 235 G N 1.277 110.139 108.800 0.104 0.000 2.179 235 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.260 235 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.260 235 G C -0.131 174.830 174.900 0.102 0.000 0.977 235 G CA -0.059 45.103 45.100 0.103 0.000 0.641 235 G HN 0.550 nan 8.290 nan 0.000 0.533 236 V N 0.694 120.692 119.914 0.139 0.000 2.623 236 V HA 0.730 4.849 4.120 -0.002 0.000 0.304 236 V C 0.307 176.459 176.094 0.097 0.000 1.054 236 V CA -0.322 62.009 62.300 0.051 0.000 0.882 236 V CB 1.913 33.702 31.823 -0.057 0.000 1.002 236 V HN 1.198 nan 8.190 nan 0.000 0.424 237 V N 3.118 123.040 119.914 0.015 0.000 2.960 237 V HA 0.775 4.894 4.120 -0.002 0.000 0.315 237 V C -0.818 175.266 176.094 -0.017 0.000 1.087 237 V CA -0.984 61.292 62.300 -0.041 0.000 0.982 237 V CB 2.134 33.855 31.823 -0.171 0.000 1.039 237 V HN 0.646 nan 8.190 nan 0.000 0.437 238 L N 3.377 124.615 121.223 0.025 0.000 2.296 238 L HA 0.661 5.000 4.340 -0.002 0.000 0.286 238 L C -0.695 176.223 176.870 0.080 0.000 1.023 238 L CA -0.483 54.409 54.840 0.086 0.000 0.812 238 L CB 1.591 43.782 42.059 0.220 0.000 1.223 238 L HN 0.662 nan 8.230 nan 0.000 0.421 239 L N 2.314 123.595 121.223 0.096 0.000 2.362 239 L HA 0.501 4.840 4.340 -0.002 0.000 0.275 239 L C -0.114 176.870 176.870 0.190 0.000 0.998 239 L CA 0.042 54.952 54.840 0.117 0.000 0.820 239 L CB 2.061 44.186 42.059 0.110 0.000 1.270 239 L HN 0.488 nan 8.230 nan 0.000 0.415 240 S N 5.010 120.811 115.700 0.169 0.000 2.537 240 S HA 0.185 4.653 4.470 -0.002 0.000 0.286 240 S C -0.914 173.789 174.600 0.172 0.000 1.299 240 S CA -0.052 58.252 58.200 0.173 0.000 1.067 240 S CB -0.023 63.238 63.200 0.102 0.000 0.864 240 S HN 0.630 nan 8.310 nan 0.000 0.494 241 W N 2.088 123.343 121.300 -0.076 0.000 3.032 241 W HA 0.486 5.145 4.660 -0.002 0.000 0.335 241 W C -0.806 175.546 176.519 -0.277 0.000 1.154 241 W CA -0.510 56.690 57.345 -0.243 0.000 1.204 241 W CB 2.144 31.336 29.460 -0.446 0.000 1.416 241 W HN 0.563 nan 8.180 nan 0.000 0.521 242 T N 2.529 116.454 114.554 -1.049 0.000 2.916 242 T HA 0.187 4.536 4.350 -0.002 0.000 0.305 242 T C -0.121 174.247 174.700 -0.554 0.000 1.119 242 T CA -0.339 61.438 62.100 -0.539 0.000 1.008 242 T CB 1.506 70.243 68.868 -0.218 0.000 1.129 242 T HN 0.393 nan 8.240 nan 0.000 0.480 243 D N 1.708 122.110 120.400 0.004 0.000 2.340 243 D HA 0.100 4.739 4.640 -0.002 0.000 0.220 243 D C -0.040 176.232 176.300 -0.046 0.000 1.039 243 D CA 0.203 54.306 54.000 0.172 0.000 0.866 243 D CB 0.339 41.351 40.800 0.353 0.000 0.913 243 D HN 0.502 nan 8.370 nan 0.000 0.523 244 D N 1.094 121.438 120.400 -0.093 0.000 2.365 244 D HA 0.033 4.672 4.640 -0.002 0.000 0.237 244 D C 0.878 176.964 176.300 -0.357 0.000 1.190 244 D CA -0.075 53.825 54.000 -0.166 0.000 0.867 244 D CB 0.737 41.496 40.800 -0.068 0.000 1.050 244 D HN 0.008 nan 8.370 nan 0.000 0.491 245 E N 1.104 120.955 120.200 -0.583 0.000 2.333 245 E HA -0.136 4.213 4.350 -0.002 0.000 0.198 245 E C 1.610 178.022 176.600 -0.312 0.000 1.007 245 E CA 0.995 56.948 56.400 -0.745 0.000 0.845 245 E CB 0.158 29.442 29.700 -0.694 0.000 0.766 245 E HN 0.577 nan 8.360 nan 0.000 0.507 246 T N -1.185 113.246 114.554 -0.205 0.000 3.088 246 T HA -0.084 4.265 4.350 -0.002 0.000 0.259 246 T C 0.682 175.311 174.700 -0.118 0.000 1.122 246 T CA 0.082 62.105 62.100 -0.128 0.000 1.095 246 T CB 0.094 68.909 68.868 -0.089 0.000 0.930 246 T HN -0.120 nan 8.240 nan 0.000 0.508 247 D N 2.228 122.553 120.400 -0.125 0.000 2.264 247 D HA 0.261 4.899 4.640 -0.002 0.000 0.250 247 D C -1.779 174.390 176.300 -0.219 0.000 1.113 247 D CA -2.635 51.281 54.000 -0.140 0.000 0.871 247 D CB 1.895 42.638 40.800 -0.096 0.000 1.167 247 D HN -0.044 nan 8.370 nan 0.000 0.447 248 P HA -0.155 nan 4.420 nan 0.000 0.223 248 P C 1.017 178.054 177.300 -0.439 0.000 1.144 248 P CA 0.925 63.676 63.100 -0.581 0.000 0.783 248 P CB 0.291 31.270 31.700 -1.203 0.000 0.771 249 Q N -1.133 118.472 119.800 -0.325 0.000 2.170 249 Q HA -0.218 4.121 4.340 -0.002 0.000 0.203 249 Q C 1.961 177.850 176.000 -0.184 0.000 0.976 249 Q CA 1.461 57.178 55.803 -0.143 0.000 0.858 249 Q CB -1.246 27.451 28.738 -0.068 0.000 0.907 249 Q HN 0.245 nan 8.270 nan 0.000 0.433 250 Y N 1.545 121.662 120.300 -0.306 0.000 2.128 250 Y HA -0.254 4.294 4.550 -0.002 0.000 0.284 250 Y C 1.903 177.625 175.900 -0.298 0.000 1.154 250 Y CA 2.458 60.335 58.100 -0.373 0.000 1.149 250 Y CB -0.342 37.940 38.460 -0.296 0.000 0.976 250 Y HN 0.470 nan 8.280 nan 0.000 0.505 251 E N -0.355 119.750 120.200 -0.157 0.000 2.204 251 E HA -0.207 4.142 4.350 -0.002 0.000 0.195 251 E C 2.155 178.631 176.600 -0.207 0.000 0.990 251 E CA 1.281 57.570 56.400 -0.185 0.000 0.821 251 E CB -0.375 29.289 29.700 -0.060 0.000 0.750 251 E HN 0.459 nan 8.360 nan 0.000 0.477 252 R N 0.778 121.171 120.500 -0.179 0.000 2.073 252 R HA 0.018 4.356 4.340 -0.002 0.000 0.229 252 R C 2.588 178.794 176.300 -0.157 0.000 1.120 252 R CA 1.456 57.482 56.100 -0.124 0.000 0.967 252 R CB -0.167 30.093 30.300 -0.067 0.000 0.862 252 R HN 0.096 nan 8.270 nan 0.000 0.436 253 S N 0.335 115.869 115.700 -0.276 0.000 2.368 253 S HA -0.105 4.363 4.470 -0.002 0.000 0.225 253 S C 2.072 176.553 174.600 -0.199 0.000 1.030 253 S CA 1.227 59.255 58.200 -0.288 0.000 0.999 253 S CB -0.118 62.675 63.200 -0.678 0.000 0.844 253 S HN 0.067 nan 8.310 nan 0.000 0.459 254 V N 1.780 121.443 119.914 -0.417 0.000 2.358 254 V HA -0.164 3.955 4.120 -0.002 0.000 0.246 254 V C 2.486 178.534 176.094 -0.077 0.000 1.047 254 V CA 1.907 64.074 62.300 -0.222 0.000 1.035 254 V CB -0.580 30.969 31.823 -0.457 0.000 0.658 254 V HN 0.561 nan 8.190 nan 0.000 0.452 255 E N 0.510 120.651 120.200 -0.099 0.000 2.077 255 E HA -0.218 4.131 4.350 -0.002 0.000 0.193 255 E C 2.204 178.804 176.600 -0.000 0.000 0.989 255 E CA 1.397 57.774 56.400 -0.038 0.000 0.800 255 E CB -0.201 29.474 29.700 -0.042 0.000 0.746 255 E HN 0.548 nan 8.360 nan 0.000 0.452 256 A N 1.200 124.022 122.820 0.003 0.000 1.902 256 A HA -0.146 4.173 4.320 -0.002 0.000 0.217 256 A C 2.154 179.768 177.584 0.049 0.000 1.181 256 A CA 1.274 53.330 52.037 0.032 0.000 0.623 256 A CB -0.641 18.380 19.000 0.034 0.000 0.818 256 A HN 0.400 nan 8.150 nan 0.000 0.443 257 L N -0.301 120.973 121.223 0.084 0.000 2.083 257 L HA -0.079 4.260 4.340 -0.002 0.000 0.209 257 L C 2.532 179.427 176.870 0.041 0.000 1.083 257 L CA 2.494 57.382 54.840 0.080 0.000 0.752 257 L CB -0.696 41.453 42.059 0.149 0.000 0.899 257 L HN 0.330 nan 8.230 nan 0.000 0.433 258 S N -1.451 114.272 115.700 0.038 0.000 2.368 258 S HA -0.140 4.329 4.470 -0.002 0.000 0.224 258 S C 1.954 176.572 174.600 0.030 0.000 1.029 258 S CA 1.446 59.662 58.200 0.027 0.000 0.988 258 S CB -0.364 62.848 63.200 0.020 0.000 0.838 258 S HN 0.317 nan 8.310 nan 0.000 0.462 259 V N 2.041 121.977 119.914 0.036 0.000 2.295 259 V HA -0.139 3.980 4.120 -0.002 0.000 0.246 259 V C 2.391 178.513 176.094 0.046 0.000 1.049 259 V CA 1.833 64.162 62.300 0.047 0.000 1.024 259 V CB -0.680 31.180 31.823 0.061 0.000 0.648 259 V HN 0.461 nan 8.190 nan 0.000 0.447 260 L N 0.796 122.039 121.223 0.034 0.000 2.046 260 L HA -0.153 4.185 4.340 -0.002 0.000 0.208 260 L C 2.671 179.555 176.870 0.023 0.000 1.077 260 L CA 1.861 56.716 54.840 0.025 0.000 0.747 260 L CB -0.700 41.363 42.059 0.006 0.000 0.896 260 L HN 0.552 nan 8.230 nan 0.000 0.432 261 S N -1.032 114.679 115.700 0.018 0.000 2.474 261 S HA -0.094 4.375 4.470 -0.002 0.000 0.235 261 S C 1.345 175.958 174.600 0.021 0.000 0.997 261 S CA 0.808 59.016 58.200 0.012 0.000 0.949 261 S CB -0.293 62.910 63.200 0.005 0.000 0.766 261 S HN 0.449 nan 8.310 nan 0.000 0.517 262 N N 1.143 119.862 118.700 0.030 0.000 2.273 262 N HA 0.306 5.044 4.740 -0.002 0.000 0.231 262 N C -0.849 174.690 175.510 0.048 0.000 1.134 262 N CA 0.019 53.091 53.050 0.036 0.000 0.856 262 N CB 1.001 39.509 38.487 0.035 0.000 1.068 262 N HN 0.261 nan 8.380 nan 0.000 0.510 263 S N 0.531 116.262 115.700 0.051 0.000 2.621 263 S HA 0.607 5.076 4.470 -0.002 0.000 0.302 263 S C -0.372 174.266 174.600 0.064 0.000 1.093 263 S CA -0.504 57.736 58.200 0.068 0.000 1.017 263 S CB 1.910 65.155 63.200 0.075 0.000 1.077 263 S HN -0.006 nan 8.310 nan 0.000 0.517 264 I N 2.674 123.287 120.570 0.073 0.000 2.582 264 I HA 0.321 4.490 4.170 -0.002 0.000 0.292 264 I C -0.392 175.770 176.117 0.075 0.000 1.066 264 I CA -0.966 60.373 61.300 0.065 0.000 1.053 264 I CB 2.040 40.071 38.000 0.052 0.000 1.241 264 I HN 0.702 nan 8.210 nan 0.000 0.421 265 D N 4.366 124.810 120.400 0.073 0.000 2.433 265 D HA 0.288 4.927 4.640 -0.002 0.000 0.255 265 D C 0.961 177.277 176.300 0.027 0.000 1.226 265 D CA -0.390 53.651 54.000 0.069 0.000 1.015 265 D CB 0.861 41.713 40.800 0.085 0.000 1.091 265 D HN 0.512 nan 8.370 nan 0.000 0.527 266 A N -0.345 122.470 122.820 -0.008 0.000 2.121 266 A HA -0.111 4.208 4.320 -0.002 0.000 0.218 266 A C 1.723 179.295 177.584 -0.020 0.000 1.154 266 A CA 0.800 52.821 52.037 -0.027 0.000 0.679 266 A CB -0.398 18.560 19.000 -0.071 0.000 0.795 266 A HN 0.386 nan 8.150 nan 0.000 0.458 267 R N -1.267 119.223 120.500 -0.017 0.000 2.393 267 R HA 0.210 4.549 4.340 -0.002 0.000 0.244 267 R C 1.016 177.315 176.300 -0.000 0.000 0.920 267 R CA 0.590 56.682 56.100 -0.014 0.000 1.076 267 R CB -0.409 29.879 30.300 -0.020 0.000 1.119 267 R HN 0.779 nan 8.270 nan 0.000 0.524 268 G N 1.798 110.604 108.800 0.010 0.000 2.132 268 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.228 268 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.228 268 G C -0.031 174.880 174.900 0.018 0.000 1.000 268 G CA -0.167 44.943 45.100 0.016 0.000 0.693 268 G HN 0.255 nan 8.290 nan 0.000 0.515 269 R N 0.171 120.684 120.500 0.023 0.000 2.410 269 R HA 0.475 4.813 4.340 -0.002 0.000 0.288 269 R C 0.688 177.010 176.300 0.036 0.000 1.051 269 R CA -0.484 55.632 56.100 0.025 0.000 1.021 269 R CB 0.784 31.101 30.300 0.029 0.000 1.032 269 R HN 0.241 nan 8.270 nan 0.000 0.481 270 K N 1.985 122.402 120.400 0.028 0.000 2.258 270 K HA 0.184 4.503 4.320 -0.002 0.000 0.264 270 K C -0.022 176.601 176.600 0.038 0.000 1.007 270 K CA -0.279 56.027 56.287 0.031 0.000 0.941 270 K CB 0.586 33.097 32.500 0.018 0.000 0.966 270 K HN 0.264 nan 8.250 nan 0.000 0.480 271 I N 3.240 123.835 120.570 0.042 0.000 2.325 271 I HA 0.078 4.247 4.170 -0.002 0.000 0.291 271 I C 0.242 176.368 176.117 0.015 0.000 1.019 271 I CA -0.075 61.254 61.300 0.048 0.000 1.302 271 I CB 0.959 38.992 38.000 0.054 0.000 1.401 271 I HN 0.513 nan 8.210 nan 0.000 0.485 272 Q N 4.797 124.601 119.800 0.006 0.000 2.256 272 Q HA 0.482 4.821 4.340 -0.002 0.000 0.254 272 Q C -0.788 175.192 176.000 -0.033 0.000 0.916 272 Q CA -0.540 55.250 55.803 -0.022 0.000 0.932 272 Q CB 2.422 31.140 28.738 -0.033 0.000 1.207 272 Q HN 0.387 nan 8.270 nan 0.000 0.426 273 V N 4.598 124.480 119.914 -0.053 0.000 2.384 273 V HA 0.398 4.517 4.120 -0.002 0.000 0.287 273 V C -0.189 175.853 176.094 -0.086 0.000 1.020 273 V CA -0.568 61.694 62.300 -0.065 0.000 0.850 273 V CB 1.239 33.017 31.823 -0.074 0.000 0.987 273 V HN 0.652 nan 8.190 nan 0.000 0.436 274 I N 4.796 125.327 120.570 -0.066 0.000 2.321 274 I HA 0.375 4.543 4.170 -0.002 0.000 0.291 274 I C 0.301 176.397 176.117 -0.035 0.000 0.998 274 I CA -0.562 60.700 61.300 -0.063 0.000 1.227 274 I CB 1.260 39.228 38.000 -0.054 0.000 1.368 274 I HN 0.492 nan 8.210 nan 0.000 0.466 275 K N 5.879 126.235 120.400 -0.075 0.000 2.339 275 K HA 0.336 4.655 4.320 -0.002 0.000 0.286 275 K C -0.835 175.864 176.600 0.165 0.000 1.050 275 K CA -0.479 55.785 56.287 -0.040 0.000 0.956 275 K CB 1.000 33.284 32.500 -0.361 0.000 0.990 275 K HN 0.284 nan 8.250 nan 0.000 0.475 276 L N 5.234 126.602 121.223 0.243 0.000 2.324 276 L HA 0.278 4.617 4.340 -0.002 0.000 0.274 276 L C -1.369 175.755 176.870 0.424 0.000 1.012 276 L CA -0.572 54.455 54.840 0.312 0.000 0.859 276 L CB 0.241 42.467 42.059 0.278 0.000 1.224 276 L HN 0.408 nan 8.230 nan 0.000 0.429 277 Y N 4.893 125.349 120.300 0.259 0.000 2.526 277 Y HA 0.227 4.776 4.550 -0.002 0.000 0.330 277 Y C 0.990 177.117 175.900 0.379 0.000 1.156 277 Y CA -0.168 58.119 58.100 0.312 0.000 1.419 277 Y CB 0.248 38.858 38.460 0.250 0.000 1.250 277 Y HN 0.561 nan 8.280 nan 0.000 0.540 278 I N 3.833 124.630 120.570 0.379 0.000 2.938 278 I HA 0.304 4.473 4.170 -0.002 0.000 0.285 278 I C -2.218 174.090 176.117 0.320 0.000 1.182 278 I CA -2.202 59.264 61.300 0.278 0.000 1.388 278 I CB 0.259 38.297 38.000 0.064 0.000 1.390 278 I HN 0.328 nan 8.210 nan 0.000 0.600 279 P HA 0.003 nan 4.420 nan 0.000 0.271 279 P C -0.506 176.838 177.300 0.074 0.000 1.233 279 P CA -0.136 63.075 63.100 0.186 0.000 0.789 279 P CB 0.408 32.117 31.700 0.016 0.000 0.951 280 E N 1.792 122.050 120.200 0.097 0.000 2.568 280 E HA -0.023 4.326 4.350 -0.002 0.000 0.262 280 E C -1.854 174.731 176.600 -0.026 0.000 0.961 280 E CA -1.083 55.351 56.400 0.055 0.000 0.945 280 E CB -0.456 29.290 29.700 0.078 0.000 0.924 280 E HN 0.279 nan 8.360 nan 0.000 0.467 281 P HA -0.047 nan 4.420 nan 0.000 0.264 281 P C -1.008 176.087 177.300 -0.341 0.000 1.183 281 P CA 0.677 63.637 63.100 -0.234 0.000 0.763 281 P CB 0.381 31.976 31.700 -0.175 0.000 0.807 282 L N 3.967 124.877 121.223 -0.522 0.000 2.334 282 L HA 0.526 4.865 4.340 -0.002 0.000 0.276 282 L C -0.233 176.269 176.870 -0.613 0.000 1.014 282 L CA -0.679 53.932 54.840 -0.381 0.000 0.815 282 L CB 0.921 42.822 42.059 -0.263 0.000 1.268 282 L HN 0.400 nan 8.230 nan 0.000 0.428 286 E N 0.559 120.768 120.200 0.015 0.000 2.085 286 E HA -0.180 4.169 4.350 -0.002 0.000 0.194 286 E C 1.755 178.363 176.600 0.012 0.000 0.994 286 E CA 1.438 57.844 56.400 0.010 0.000 0.801 286 E CB -0.084 29.622 29.700 0.011 0.000 0.743 286 E HN 0.774 nan 8.360 nan 0.000 0.453 287 E N 1.260 121.472 120.200 0.021 0.000 2.110 287 E HA -0.216 4.133 4.350 -0.002 0.000 0.193 287 E C 1.717 178.312 176.600 -0.008 0.000 0.988 287 E CA 1.079 57.497 56.400 0.029 0.000 0.804 287 E CB 0.111 29.840 29.700 0.048 0.000 0.745 287 E HN 0.348 nan 8.360 nan 0.000 0.458 288 E N 0.237 120.425 120.200 -0.020 0.000 2.028 288 E HA -0.143 4.206 4.350 -0.002 0.000 0.191 288 E C 2.251 178.804 176.600 -0.078 0.000 0.988 288 E CA 1.650 58.011 56.400 -0.064 0.000 0.799 288 E CB -0.082 29.603 29.700 -0.025 0.000 0.755 288 E HN 0.307 nan 8.360 nan 0.000 0.447 289 S N 0.832 116.508 115.700 -0.039 0.000 2.382 289 S HA -0.185 4.284 4.470 -0.002 0.000 0.228 289 S C 2.128 176.710 174.600 -0.029 0.000 1.027 289 S CA 1.347 59.526 58.200 -0.035 0.000 0.991 289 S CB -0.495 62.693 63.200 -0.020 0.000 0.823 289 S HN 0.263 nan 8.310 nan 0.000 0.469 290 S N 1.402 117.093 115.700 -0.016 0.000 2.469 290 S HA 0.106 4.575 4.470 -0.002 0.000 0.238 290 S C 1.714 176.327 174.600 0.022 0.000 0.998 290 S CA 0.713 58.921 58.200 0.013 0.000 0.957 290 S CB -0.977 62.245 63.200 0.037 0.000 0.764 290 S HN 0.685 nan 8.310 nan 0.000 0.514 291 G N 0.481 109.248 108.800 -0.055 0.000 3.141 291 G HA2 0.419 4.378 3.960 -0.002 0.000 0.218 291 G HA3 0.419 4.378 3.960 -0.002 0.000 0.218 291 G C 0.205 175.089 174.900 -0.028 0.000 1.170 291 G CA -0.383 44.668 45.100 -0.082 0.000 0.769 291 G HN 0.547 nan 8.290 nan 0.000 0.546 292 I N 1.997 122.556 120.570 -0.019 0.000 2.378 292 I HA 0.252 4.421 4.170 -0.002 0.000 0.291 292 I C 0.631 176.759 176.117 0.017 0.000 0.992 292 I CA -0.824 60.475 61.300 -0.001 0.000 1.154 292 I CB 1.979 39.962 38.000 -0.029 0.000 1.315 292 I HN -0.002 nan 8.210 nan 0.000 0.448 293 T N 2.376 116.950 114.554 0.033 0.000 2.868 293 T HA 0.306 4.655 4.350 -0.002 0.000 0.292 293 T C -0.192 174.524 174.700 0.026 0.000 1.028 293 T CA -0.626 61.495 62.100 0.035 0.000 1.059 293 T CB 1.016 69.910 68.868 0.044 0.000 0.991 293 T HN 0.585 nan 8.240 nan 0.000 0.531 294 Q N 0.903 120.719 119.800 0.026 0.000 2.454 294 Q HA 0.269 4.608 4.340 -0.002 0.000 0.255 294 Q C -0.639 175.378 176.000 0.028 0.000 1.034 294 Q CA -0.559 55.259 55.803 0.024 0.000 0.736 294 Q CB 1.187 29.935 28.738 0.016 0.000 1.210 294 Q HN 0.645 nan 8.270 nan 0.000 0.500 295 D N 1.288 121.709 120.400 0.035 0.000 2.363 295 D HA 0.104 4.742 4.640 -0.002 0.000 0.214 295 D C 1.039 177.362 176.300 0.038 0.000 1.093 295 D CA 0.368 54.390 54.000 0.036 0.000 0.837 295 D CB 0.929 41.754 40.800 0.041 0.000 0.948 295 D HN 0.885 nan 8.370 nan 0.000 0.507 296 G N 1.885 110.708 108.800 0.039 0.000 2.179 296 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.257 296 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.257 296 G C 0.741 175.676 174.900 0.058 0.000 1.010 296 G CA 0.409 45.534 45.100 0.042 0.000 0.736 296 G HN 0.409 nan 8.290 nan 0.000 0.513 297 E N -0.746 119.498 120.200 0.073 0.000 2.490 297 E HA 0.530 4.879 4.350 -0.002 0.000 0.209 297 E C 1.070 177.769 176.600 0.165 0.000 0.971 297 E CA 0.569 57.033 56.400 0.106 0.000 0.988 297 E CB 0.770 30.526 29.700 0.094 0.000 1.029 297 E HN 0.808 nan 8.360 nan 0.000 0.496 298 A N 1.241 124.143 122.820 0.137 0.000 2.527 298 A HA 0.581 4.900 4.320 -0.002 0.000 0.293 298 A C -0.356 177.279 177.584 0.085 0.000 1.117 298 A CA -0.933 51.205 52.037 0.169 0.000 0.723 298 A CB 0.699 19.801 19.000 0.170 0.000 1.313 298 A HN 0.233 nan 8.150 nan 0.000 0.411 299 I N -0.439 120.164 120.570 0.056 0.000 2.892 299 I HA 0.377 4.545 4.170 -0.002 0.000 0.287 299 I C -2.135 173.971 176.117 -0.019 0.000 1.205 299 I CA -1.232 60.067 61.300 -0.002 0.000 1.409 299 I CB 0.013 37.984 38.000 -0.049 0.000 1.367 299 I HN 0.321 nan 8.210 nan 0.000 0.597 300 P HA 0.246 nan 4.420 nan 0.000 0.274 300 P C -1.111 176.156 177.300 -0.054 0.000 1.231 300 P CA -0.365 62.716 63.100 -0.031 0.000 0.790 300 P CB 0.617 32.303 31.700 -0.024 0.000 0.951 301 R N 2.280 122.748 120.500 -0.053 0.000 2.320 301 R HA 0.489 4.828 4.340 -0.002 0.000 0.319 301 R C -0.397 175.875 176.300 -0.047 0.000 0.969 301 R CA -0.582 55.477 56.100 -0.067 0.000 0.857 301 R CB 0.376 30.626 30.300 -0.083 0.000 1.160 301 R HN 0.527 nan 8.270 nan 0.000 0.491 302 L N 1.530 122.726 121.223 -0.044 0.000 2.325 302 L HA 0.589 4.928 4.340 -0.002 0.000 0.278 302 L C 0.694 177.554 176.870 -0.017 0.000 1.023 302 L CA -1.216 53.607 54.840 -0.028 0.000 0.811 302 L CB 1.745 43.788 42.059 -0.027 0.000 1.249 302 L HN 0.496 nan 8.230 nan 0.000 0.431 303 A N 1.659 124.473 122.820 -0.010 0.000 2.546 303 A HA 0.435 4.754 4.320 -0.002 0.000 0.243 303 A C 1.179 178.766 177.584 0.006 0.000 1.063 303 A CA 0.841 52.878 52.037 0.001 0.000 0.757 303 A CB -0.221 18.778 19.000 -0.001 0.000 0.991 303 A HN 1.155 nan 8.150 nan 0.000 0.503 304 G N 1.794 110.613 108.800 0.032 0.000 2.213 304 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.226 304 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.226 304 G C 0.482 175.458 174.900 0.128 0.000 0.992 304 G CA 0.267 45.387 45.100 0.033 0.000 0.632 304 G HN 1.216 nan 8.290 nan 0.000 0.511 305 T N 1.636 116.239 114.554 0.082 0.000 2.902 305 T HA 0.382 4.731 4.350 -0.002 0.000 0.301 305 T C 0.687 175.443 174.700 0.093 0.000 1.012 305 T CA 0.374 62.506 62.100 0.052 0.000 1.151 305 T CB 1.143 69.991 68.868 -0.033 0.000 0.946 305 T HN 0.607 nan 8.240 nan 0.000 0.542 306 R N 3.523 124.053 120.500 0.050 0.000 2.370 306 R HA 0.209 4.548 4.340 -0.002 0.000 0.309 306 R C -0.515 175.623 176.300 -0.270 0.000 1.059 306 R CA -0.030 55.961 56.100 -0.180 0.000 0.981 306 R CB -0.297 29.909 30.300 -0.157 0.000 0.972 306 R HN 0.576 nan 8.270 nan 0.000 0.437 307 L N 3.711 124.744 121.223 -0.316 0.000 2.371 307 L HA 0.355 4.693 4.340 -0.002 0.000 0.272 307 L C 0.516 177.203 176.870 -0.305 0.000 1.124 307 L CA -0.696 53.984 54.840 -0.267 0.000 0.816 307 L CB 1.386 43.302 42.059 -0.238 0.000 1.129 307 L HN 0.803 nan 8.230 nan 0.000 0.448 308 A N 3.207 125.869 122.820 -0.264 0.000 3.037 308 A HA 0.523 4.842 4.320 -0.002 0.000 0.272 308 A C 0.403 177.847 177.584 -0.233 0.000 1.723 308 A CA -0.245 51.645 52.037 -0.245 0.000 1.413 308 A CB -0.621 18.245 19.000 -0.223 0.000 1.112 308 A HN 0.686 nan 8.150 nan 0.000 0.606 309 A N 1.235 123.836 122.820 -0.365 0.000 2.249 309 A HA 0.692 5.011 4.320 -0.002 0.000 0.314 309 A C 0.145 177.443 177.584 -0.476 0.000 1.290 309 A CA -0.222 51.428 52.037 -0.644 0.000 0.893 309 A CB 0.583 18.813 19.000 -1.283 0.000 1.165 309 A HN 0.939 nan 8.150 nan 0.000 0.530 310 S N 1.497 117.098 115.700 -0.165 0.000 2.546 310 S HA 0.510 4.979 4.470 -0.002 0.000 0.272 310 S C -0.218 174.511 174.600 0.216 0.000 1.140 310 S CA -0.455 57.750 58.200 0.008 0.000 0.920 310 S CB 0.562 63.808 63.200 0.076 0.000 1.083 310 S HN 0.501 nan 8.310 nan 0.000 0.476 311 Y N 2.705 123.259 120.300 0.424 0.000 2.616 311 Y HA 0.021 4.570 4.550 -0.002 0.000 0.296 311 Y C 2.147 178.309 175.900 0.437 0.000 1.154 311 Y CA 0.461 58.804 58.100 0.405 0.000 1.325 311 Y CB -0.237 38.415 38.460 0.320 0.000 1.007 311 Y HN 0.534 nan 8.280 nan 0.000 0.542 312 V N 0.180 120.375 119.914 0.469 0.000 2.759 312 V HA -0.245 3.874 4.120 -0.002 0.000 0.256 312 V C 1.465 177.652 176.094 0.155 0.000 1.080 312 V CA 1.328 63.855 62.300 0.379 0.000 1.101 312 V CB -0.479 31.473 31.823 0.214 0.000 0.698 312 V HN 0.482 nan 8.190 nan 0.000 0.477 313 N N 1.066 119.895 118.700 0.215 0.000 3.111 313 N HA 0.076 4.815 4.740 -0.002 0.000 0.302 313 N C -0.264 175.398 175.510 0.253 0.000 1.317 313 N CA -0.181 52.966 53.050 0.162 0.000 1.151 313 N CB -0.122 38.494 38.487 0.215 0.000 1.456 313 N HN 0.569 nan 8.380 nan 0.000 0.547 314 F N -0.204 119.886 119.950 0.233 0.000 2.411 314 F HA 0.508 5.034 4.527 -0.002 0.000 0.324 314 F C -0.667 175.352 175.800 0.364 0.000 1.086 314 F CA -1.277 56.862 58.000 0.232 0.000 1.028 314 F CB 0.379 39.465 39.000 0.142 0.000 1.284 314 F HN -0.090 nan 8.300 nan 0.000 0.501 315 Y N 2.104 122.639 120.300 0.391 0.000 2.393 315 Y HA 0.640 5.189 4.550 -0.002 0.000 0.341 315 Y C -1.031 175.049 175.900 0.300 0.000 0.988 315 Y CA -2.242 56.056 58.100 0.330 0.000 1.078 315 Y CB 1.272 39.866 38.460 0.224 0.000 1.203 315 Y HN 0.625 nan 8.280 nan 0.000 0.453 316 I N 6.131 126.528 120.570 -0.289 0.000 2.315 316 I HA 0.623 4.792 4.170 -0.002 0.000 0.291 316 I C 0.048 175.753 176.117 -0.687 0.000 1.006 316 I CA -0.407 60.663 61.300 -0.383 0.000 1.265 316 I CB 0.800 38.715 38.000 -0.141 0.000 1.387 316 I HN 0.758 nan 8.210 nan 0.000 0.475 317 A N 5.537 128.066 122.820 -0.486 0.000 2.392 317 A HA 0.575 4.894 4.320 -0.002 0.000 0.283 317 A C -0.384 177.010 177.584 -0.317 0.000 1.197 317 A CA -0.843 50.978 52.037 -0.361 0.000 0.895 317 A CB 0.676 19.615 19.000 -0.102 0.000 1.400 317 A HN 0.642 nan 8.150 nan 0.000 0.461 318 N N 0.850 119.417 118.700 -0.221 0.000 2.406 318 N HA 0.332 5.071 4.740 -0.002 0.000 0.274 318 N C 0.929 176.382 175.510 -0.096 0.000 1.249 318 N CA 1.481 54.446 53.050 -0.141 0.000 0.951 318 N CB 0.268 38.738 38.487 -0.029 0.000 1.241 318 N HN 1.391 nan 8.380 nan 0.000 0.485 319 G N 0.778 109.418 108.800 -0.267 0.000 2.148 319 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.254 319 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.254 319 G C 0.351 175.014 174.900 -0.394 0.000 0.981 319 G CA 0.130 45.030 45.100 -0.334 0.000 0.670 319 G HN 0.873 nan 8.290 nan 0.000 0.528 320 G N -0.899 107.501 108.800 -0.667 0.000 2.620 320 G HA2 0.679 4.637 3.960 -0.002 0.000 0.301 320 G HA3 0.679 4.637 3.960 -0.002 0.000 0.301 320 G C -0.917 173.646 174.900 -0.562 0.000 1.347 320 G CA -0.839 43.483 45.100 -1.297 0.000 0.971 320 G HN 0.405 nan 8.290 nan 0.000 0.488 321 I N 2.358 122.676 120.570 -0.419 0.000 2.406 321 I HA 0.369 4.538 4.170 -0.002 0.000 0.290 321 I C -0.677 175.366 176.117 -0.123 0.000 0.999 321 I CA -0.921 60.184 61.300 -0.325 0.000 1.124 321 I CB 1.732 39.449 38.000 -0.471 0.000 1.289 321 I HN 0.220 nan 8.210 nan 0.000 0.441 322 I N 5.596 126.195 120.570 0.048 0.000 2.371 322 I HA 0.504 4.673 4.170 -0.002 0.000 0.282 322 I C 0.416 176.657 176.117 0.207 0.000 1.031 322 I CA -0.455 60.935 61.300 0.150 0.000 1.180 322 I CB 1.056 39.203 38.000 0.245 0.000 1.336 322 I HN 0.539 nan 8.210 nan 0.000 0.467 323 A N 9.518 132.421 122.820 0.138 0.000 2.355 323 A HA 0.933 5.252 4.320 -0.002 0.000 0.324 323 A C -2.608 175.038 177.584 0.104 0.000 1.117 323 A CA -1.522 50.619 52.037 0.174 0.000 0.785 323 A CB 1.417 20.478 19.000 0.102 0.000 1.254 323 A HN 0.399 nan 8.150 nan 0.000 0.453 324 P HA 0.253 nan 4.420 nan 0.000 0.274 324 P C -1.224 175.931 177.300 -0.240 0.000 1.231 324 P CA -0.009 62.955 63.100 -0.226 0.000 0.790 324 P CB 0.747 32.115 31.700 -0.553 0.000 0.951 325 Q N 1.238 120.827 119.800 -0.352 0.000 2.337 325 Q HA 0.339 4.678 4.340 -0.002 0.000 0.270 325 Q C -0.630 175.193 176.000 -0.295 0.000 1.043 325 Q CA -0.413 55.294 55.803 -0.159 0.000 0.794 325 Q CB 1.717 30.455 28.738 0.001 0.000 1.281 325 Q HN 0.429 nan 8.270 nan 0.000 0.446 326 F N -0.338 119.702 119.950 0.150 0.000 2.661 326 F HA 0.280 4.806 4.527 -0.002 0.000 0.306 326 F C 1.405 177.256 175.800 0.085 0.000 1.094 326 F CA 0.239 58.279 58.000 0.066 0.000 1.254 326 F CB 0.895 39.881 39.000 -0.024 0.000 1.040 326 F HN 0.874 nan 8.300 nan 0.000 0.562 327 G N 0.234 109.174 108.800 0.232 0.000 2.157 327 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.248 327 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.248 327 G C -0.019 174.984 174.900 0.172 0.000 0.979 327 G CA 0.102 45.304 45.100 0.170 0.000 0.650 327 G HN 0.351 nan 8.290 nan 0.000 0.529 328 D N 1.053 121.591 120.400 0.230 0.000 2.312 328 D HA 0.316 4.955 4.640 -0.002 0.000 0.252 328 D C -0.553 175.836 176.300 0.148 0.000 1.150 328 D CA -1.162 52.956 54.000 0.197 0.000 0.870 328 D CB 1.609 42.573 40.800 0.274 0.000 1.153 328 D HN 0.180 nan 8.370 nan 0.000 0.457 329 P HA -0.003 nan 4.420 nan 0.000 0.242 329 P C 1.153 178.486 177.300 0.055 0.000 1.197 329 P CA 0.594 63.738 63.100 0.073 0.000 0.765 329 P CB 0.120 31.857 31.700 0.061 0.000 0.936 330 I N -5.156 115.452 120.570 0.063 0.000 4.398 330 I HA 0.283 4.452 4.170 -0.002 0.000 0.310 330 I C 1.934 178.064 176.117 0.022 0.000 1.232 330 I CA -0.295 61.023 61.300 0.030 0.000 1.312 330 I CB -0.213 37.793 38.000 0.011 0.000 1.347 330 I HN -0.353 nan 8.210 nan 0.000 0.454 331 R N 1.790 122.341 120.500 0.085 0.000 2.189 331 R HA -0.010 4.329 4.340 -0.002 0.000 0.218 331 R C 1.243 177.481 176.300 -0.103 0.000 1.074 331 R CA 1.127 57.268 56.100 0.069 0.000 0.991 331 R CB -0.642 29.840 30.300 0.304 0.000 0.883 331 R HN 0.448 nan 8.270 nan 0.000 0.457 332 D N 1.200 121.641 120.400 0.068 0.000 2.097 332 D HA -0.148 4.491 4.640 -0.002 0.000 0.197 332 D C 1.865 178.103 176.300 -0.102 0.000 0.984 332 D CA 1.474 55.492 54.000 0.030 0.000 0.826 332 D CB -0.006 40.886 40.800 0.152 0.000 0.973 332 D HN 0.390 nan 8.370 nan 0.000 0.460 333 K N 0.853 121.221 120.400 -0.054 0.000 2.155 333 K HA -0.020 4.299 4.320 -0.002 0.000 0.203 333 K C 1.761 178.300 176.600 -0.102 0.000 1.052 333 K CA 0.887 57.138 56.287 -0.060 0.000 0.948 333 K CB -0.156 32.327 32.500 -0.028 0.000 0.728 333 K HN 0.057 nan 8.250 nan 0.000 0.448 334 E N 1.158 121.282 120.200 -0.128 0.000 2.077 334 E HA -0.169 4.180 4.350 -0.002 0.000 0.193 334 E C 2.169 178.660 176.600 -0.183 0.000 0.989 334 E CA 1.220 57.534 56.400 -0.143 0.000 0.800 334 E CB -0.171 29.442 29.700 -0.145 0.000 0.746 334 E HN 0.517 nan 8.360 nan 0.000 0.452 335 A N 1.436 124.059 122.820 -0.328 0.000 1.873 335 A HA -0.167 4.152 4.320 -0.002 0.000 0.215 335 A C 2.145 179.614 177.584 -0.191 0.000 1.186 335 A CA 0.978 52.797 52.037 -0.363 0.000 0.616 335 A CB -0.412 18.026 19.000 -0.937 0.000 0.823 335 A HN 0.111 nan 8.150 nan 0.000 0.442 336 I N -0.265 120.212 120.570 -0.156 0.000 2.208 336 I HA -0.232 3.937 4.170 -0.002 0.000 0.245 336 I C 2.558 178.629 176.117 -0.075 0.000 1.097 336 I CA 1.939 63.186 61.300 -0.087 0.000 1.363 336 I CB -1.210 36.758 38.000 -0.053 0.000 1.051 336 I HN 0.450 nan 8.210 nan 0.000 0.413 337 R N 0.736 121.188 120.500 -0.080 0.000 2.066 337 R HA -0.115 4.224 4.340 -0.002 0.000 0.232 337 R C 2.388 178.647 176.300 -0.068 0.000 1.131 337 R CA 1.372 57.432 56.100 -0.066 0.000 0.955 337 R CB -0.116 30.145 30.300 -0.065 0.000 0.851 337 R HN 0.133 nan 8.270 nan 0.000 0.432 338 V N 1.391 121.260 119.914 -0.076 0.000 2.343 338 V HA -0.257 3.862 4.120 -0.002 0.000 0.247 338 V C 2.335 178.388 176.094 -0.069 0.000 1.051 338 V CA 1.755 64.015 62.300 -0.067 0.000 1.036 338 V CB -0.398 31.398 31.823 -0.045 0.000 0.654 338 V HN 0.350 nan 8.190 nan 0.000 0.451 339 L N -0.360 120.822 121.223 -0.068 0.000 2.093 339 L HA -0.129 4.210 4.340 -0.002 0.000 0.208 339 L C 2.587 179.473 176.870 0.027 0.000 1.085 339 L CA 1.456 56.273 54.840 -0.037 0.000 0.755 339 L CB -0.582 41.379 42.059 -0.163 0.000 0.904 339 L HN 0.289 nan 8.230 nan 0.000 0.435 340 S N -0.404 115.284 115.700 -0.020 0.000 2.383 340 S HA -0.162 4.306 4.470 -0.002 0.000 0.227 340 S C 1.481 176.065 174.600 -0.026 0.000 1.026 340 S CA 1.241 59.438 58.200 -0.005 0.000 0.981 340 S CB -0.212 62.976 63.200 -0.020 0.000 0.818 340 S HN 0.431 nan 8.310 nan 0.000 0.472 341 D N 0.990 121.354 120.400 -0.060 0.000 2.183 341 D HA -0.011 4.628 4.640 -0.002 0.000 0.203 341 D C 1.885 178.098 176.300 -0.144 0.000 0.969 341 D CA 1.059 55.004 54.000 -0.092 0.000 0.842 341 D CB -0.492 40.254 40.800 -0.090 0.000 0.957 341 D HN 0.299 nan 8.370 nan 0.000 0.484 342 T N -0.511 113.928 114.554 -0.192 0.000 3.043 342 T HA 0.021 4.370 4.350 -0.002 0.000 0.263 342 T C 0.355 174.677 174.700 -0.630 0.000 1.094 342 T CA 0.432 62.288 62.100 -0.408 0.000 1.127 342 T CB 0.059 68.636 68.868 -0.485 0.000 0.905 342 T HN 0.022 nan 8.240 nan 0.000 0.490 343 F N 1.615 121.476 119.950 -0.150 0.000 2.531 343 F HA 0.336 4.862 4.527 -0.002 0.000 0.333 343 F C -1.916 173.858 175.800 -0.043 0.000 1.292 343 F CA -2.512 55.419 58.000 -0.113 0.000 1.184 343 F CB 1.482 40.326 39.000 -0.260 0.000 1.426 343 F HN -0.075 nan 8.300 nan 0.000 0.559 344 P HA -0.122 nan 4.420 nan 0.000 0.233 344 P C 0.770 177.930 177.300 -0.233 0.000 1.167 344 P CA 1.354 64.353 63.100 -0.169 0.000 0.770 344 P CB 0.141 31.643 31.700 -0.331 0.000 0.837 345 H N -1.880 117.274 119.070 0.140 0.000 2.529 345 H HA 0.203 4.757 4.556 -0.002 0.000 0.277 345 H C 0.066 175.371 175.328 -0.039 0.000 1.004 345 H CA 0.037 56.113 56.048 0.047 0.000 1.167 345 H CB -0.038 29.725 29.762 0.003 0.000 1.445 345 H HN 0.327 nan 8.280 nan 0.000 0.554 346 H N -0.356 118.768 119.070 0.091 0.000 2.616 346 H HA 0.267 4.821 4.556 -0.002 0.000 0.353 346 H C -0.184 175.137 175.328 -0.012 0.000 1.170 346 H CA -0.519 55.527 56.048 -0.004 0.000 1.212 346 H CB 1.696 31.398 29.762 -0.100 0.000 1.653 346 H HN -0.079 nan 8.280 nan 0.000 0.537 347 S N 1.540 117.295 115.700 0.091 0.000 2.410 347 S HA 0.320 4.789 4.470 -0.002 0.000 0.304 347 S C -0.675 173.955 174.600 0.050 0.000 1.095 347 S CA -0.760 57.511 58.200 0.117 0.000 1.089 347 S CB -0.223 63.146 63.200 0.282 0.000 0.968 347 S HN 0.386 nan 8.310 nan 0.000 0.480 348 V N 6.427 126.360 119.914 0.032 0.000 2.455 348 V HA 0.358 4.477 4.120 -0.002 0.000 0.273 348 V C -0.017 176.104 176.094 0.046 0.000 1.045 348 V CA -0.405 61.888 62.300 -0.012 0.000 0.976 348 V CB 1.202 33.001 31.823 -0.040 0.000 0.993 348 V HN 0.686 nan 8.190 nan 0.000 0.475 349 V N 4.321 124.273 119.914 0.064 0.000 2.448 349 V HA 0.699 4.818 4.120 -0.002 0.000 0.295 349 V C 0.673 176.810 176.094 0.072 0.000 1.025 349 V CA -0.369 61.994 62.300 0.106 0.000 0.859 349 V CB 1.815 33.759 31.823 0.202 0.000 0.988 349 V HN 0.948 nan 8.190 nan 0.000 0.431 350 G N 4.602 113.435 108.800 0.056 0.000 2.400 350 G HA2 0.632 4.591 3.960 -0.002 0.000 0.301 350 G HA3 0.632 4.591 3.960 -0.002 0.000 0.301 350 G C -0.725 174.199 174.900 0.041 0.000 1.154 350 G CA -0.473 44.654 45.100 0.044 0.000 0.852 350 G HN 0.465 nan 8.290 nan 0.000 0.511 351 I N 1.704 122.286 120.570 0.020 0.000 2.359 351 I HA 0.253 4.422 4.170 -0.002 0.000 0.284 351 I C 0.044 176.150 176.117 -0.019 0.000 1.018 351 I CA -0.928 60.377 61.300 0.009 0.000 1.173 351 I CB 1.002 39.005 38.000 0.004 0.000 1.326 351 I HN 0.444 nan 8.210 nan 0.000 0.462 352 E N 5.421 125.623 120.200 0.005 0.000 2.392 352 E HA 0.193 4.542 4.350 -0.002 0.000 0.259 352 E C 0.488 177.096 176.600 0.013 0.000 1.108 352 E CA 0.206 56.612 56.400 0.009 0.000 0.916 352 E CB 0.277 29.994 29.700 0.028 0.000 0.989 352 E HN 0.389 nan 8.360 nan 0.000 0.432 353 N N 0.226 118.944 118.700 0.029 0.000 2.741 353 N HA -0.277 4.461 4.740 -0.002 0.000 0.250 353 N C 0.482 176.023 175.510 0.052 0.000 1.115 353 N CA 0.827 53.909 53.050 0.054 0.000 0.724 353 N CB -1.361 37.160 38.487 0.057 0.000 1.090 353 N HN 0.526 nan 8.380 nan 0.000 0.558 354 A N 0.605 123.419 122.820 -0.010 0.000 2.076 354 A HA -0.164 4.154 4.320 -0.002 0.000 0.220 354 A C 2.165 179.834 177.584 0.142 0.000 1.160 354 A CA 1.800 53.828 52.037 -0.015 0.000 0.653 354 A CB -0.446 18.412 19.000 -0.237 0.000 0.801 354 A HN 0.475 nan 8.150 nan 0.000 0.455 355 R N -0.175 120.454 120.500 0.214 0.000 2.133 355 R HA -0.214 4.125 4.340 -0.002 0.000 0.247 355 R C 1.597 178.021 176.300 0.207 0.000 1.151 355 R CA 1.799 58.057 56.100 0.264 0.000 0.971 355 R CB -0.222 30.206 30.300 0.213 0.000 0.866 355 R HN 0.503 nan 8.270 nan 0.000 0.447 356 E N 0.348 120.661 120.200 0.188 0.000 2.153 356 E HA -0.177 4.172 4.350 -0.002 0.000 0.194 356 E C 1.959 178.776 176.600 0.361 0.000 0.988 356 E CA 1.199 57.731 56.400 0.221 0.000 0.811 356 E CB -0.080 29.726 29.700 0.177 0.000 0.746 356 E HN 0.547 nan 8.360 nan 0.000 0.466 357 I N -0.142 120.641 120.570 0.355 0.000 2.406 357 I HA -0.133 4.036 4.170 -0.002 0.000 0.249 357 I C 2.402 178.786 176.117 0.444 0.000 1.122 357 I CA 0.338 61.951 61.300 0.521 0.000 1.431 357 I CB -0.129 38.068 38.000 0.328 0.000 1.087 357 I HN -0.101 nan 8.210 nan 0.000 0.424 358 V N 1.589 121.679 119.914 0.293 0.000 2.970 358 V HA -0.139 3.979 4.120 -0.002 0.000 0.260 358 V C 2.255 178.386 176.094 0.060 0.000 1.100 358 V CA 1.296 63.700 62.300 0.173 0.000 1.122 358 V CB -0.150 31.777 31.823 0.174 0.000 0.721 358 V HN 0.345 nan 8.190 nan 0.000 0.483 359 L N 0.025 121.299 121.223 0.085 0.000 2.191 359 L HA -0.064 4.275 4.340 -0.002 0.000 0.212 359 L C 2.157 178.963 176.870 -0.106 0.000 1.103 359 L CA 1.474 56.312 54.840 -0.004 0.000 0.769 359 L CB -0.484 41.597 42.059 0.036 0.000 0.908 359 L HN 0.412 nan 8.230 nan 0.000 0.438 360 A N -1.012 121.728 122.820 -0.133 0.000 2.423 360 A HA 0.469 4.788 4.320 -0.002 0.000 0.246 360 A C 1.424 178.821 177.584 -0.312 0.000 1.278 360 A CA 0.510 52.342 52.037 -0.342 0.000 0.903 360 A CB 0.076 18.535 19.000 -0.900 0.000 0.997 360 A HN 0.448 nan 8.150 nan 0.000 0.510 361 G N -2.416 106.237 108.800 -0.245 0.000 2.159 361 G HA2 0.194 4.153 3.960 -0.002 0.000 0.227 361 G HA3 0.194 4.153 3.960 -0.002 0.000 0.227 361 G C 0.578 175.227 174.900 -0.417 0.000 0.986 361 G CA 0.038 44.902 45.100 -0.393 0.000 0.651 361 G HN 1.707 nan 8.290 nan 0.000 0.523 362 G N -1.293 107.406 108.800 -0.168 0.000 2.749 362 G HA2 0.699 4.658 3.960 -0.002 0.000 0.300 362 G HA3 0.699 4.658 3.960 -0.002 0.000 0.300 362 G C -0.878 174.217 174.900 0.325 0.000 1.352 362 G CA 0.337 45.438 45.100 0.001 0.000 0.789 362 G HN 0.452 nan 8.290 nan 0.000 0.509 363 N N -1.966 116.942 118.700 0.347 0.000 3.574 363 N HA 0.300 5.039 4.740 -0.002 0.000 0.340 363 N C 1.609 177.249 175.510 0.217 0.000 1.650 363 N CA -0.657 52.564 53.050 0.286 0.000 0.762 363 N CB 1.361 40.004 38.487 0.260 0.000 2.206 363 N HN 0.257 nan 8.380 nan 0.000 0.621 364 I N 1.153 121.806 120.570 0.138 0.000 2.151 364 I HA -0.301 3.868 4.170 -0.002 0.000 0.243 364 I C 2.375 178.561 176.117 0.115 0.000 1.080 364 I CA 1.302 62.644 61.300 0.070 0.000 1.339 364 I CB -0.466 37.608 38.000 0.123 0.000 1.039 364 I HN 0.536 nan 8.210 nan 0.000 0.409 365 H N -0.213 118.937 119.070 0.133 0.000 2.387 365 H HA -0.224 4.331 4.556 -0.002 0.000 0.299 365 H C 2.329 177.750 175.328 0.155 0.000 1.090 365 H CA 1.857 57.990 56.048 0.142 0.000 1.332 365 H CB 0.080 29.920 29.762 0.129 0.000 1.386 365 H HN 0.432 nan 8.280 nan 0.000 0.516 366 C N 1.218 120.680 119.300 0.269 0.000 2.448 366 C HA -0.016 4.443 4.460 -0.002 0.000 0.280 366 C C 2.567 177.788 174.990 0.385 0.000 1.398 366 C CA 0.577 59.814 59.018 0.365 0.000 1.774 366 C CB -1.192 26.841 27.740 0.488 0.000 1.888 366 C HN 0.655 nan 8.230 nan 0.000 0.519 367 I N -0.303 120.359 120.570 0.154 0.000 3.883 367 I HA 0.227 4.396 4.170 -0.002 0.000 0.326 367 I C 0.448 176.521 176.117 -0.074 0.000 1.283 367 I CA 0.258 61.544 61.300 -0.023 0.000 1.161 367 I CB -0.447 37.244 38.000 -0.515 0.000 1.012 367 I HN 0.274 nan 8.210 nan 0.000 0.421 368 T N -0.651 113.824 114.554 -0.133 0.000 2.932 368 T HA 0.665 5.014 4.350 -0.002 0.000 0.289 368 T C -0.593 174.044 174.700 -0.104 0.000 1.039 368 T CA -0.611 61.329 62.100 -0.267 0.000 1.024 368 T CB 2.409 70.757 68.868 -0.866 0.000 1.090 368 T HN 0.220 nan 8.240 nan 0.000 0.496 369 Q N 1.917 121.737 119.800 0.033 0.000 2.275 369 Q HA 0.262 4.601 4.340 -0.002 0.000 0.258 369 Q C -1.060 175.085 176.000 0.241 0.000 0.960 369 Q CA -0.605 55.302 55.803 0.173 0.000 0.801 369 Q CB 1.597 30.500 28.738 0.276 0.000 1.302 369 Q HN 0.764 nan 8.270 nan 0.000 0.433 370 Q N 2.509 122.415 119.800 0.176 0.000 2.327 370 Q HA 0.168 4.506 4.340 -0.002 0.000 0.254 370 Q C -0.882 175.059 176.000 -0.099 0.000 0.952 370 Q CA -0.241 55.532 55.803 -0.049 0.000 0.884 370 Q CB 1.272 29.699 28.738 -0.517 0.000 1.224 370 Q HN 0.733 nan 8.270 nan 0.000 0.422 371 Q N 3.541 123.183 119.800 -0.265 0.000 2.400 371 Q HA 0.372 4.711 4.340 -0.002 0.000 0.255 371 Q C -2.395 173.375 176.000 -0.383 0.000 1.008 371 Q CA -2.058 53.319 55.803 -0.709 0.000 0.841 371 Q CB 1.330 29.773 28.738 -0.491 0.000 1.220 371 Q HN 0.392 nan 8.270 nan 0.000 0.474 372 P HA -0.055 nan 4.420 nan 0.000 0.268 372 P C -1.121 176.158 177.300 -0.035 0.000 1.208 372 P CA 0.133 63.200 63.100 -0.055 0.000 0.777 372 P CB 0.583 32.266 31.700 -0.028 0.000 0.875 373 A N 1.769 124.616 122.820 0.045 0.000 2.462 373 A HA 0.082 4.401 4.320 -0.002 0.000 0.243 373 A C 0.380 177.983 177.584 0.033 0.000 1.076 373 A CA -0.159 51.901 52.037 0.039 0.000 0.773 373 A CB -0.397 18.637 19.000 0.056 0.000 1.010 373 A HN 0.589 nan 8.150 nan 0.000 0.493 374 E N 2.546 122.768 120.200 0.036 0.000 2.223 374 E HA 0.322 4.671 4.350 -0.002 0.000 0.282 374 E C -2.272 174.359 176.600 0.051 0.000 1.046 374 E CA -1.666 54.765 56.400 0.050 0.000 0.857 374 E CB 0.328 30.063 29.700 0.058 0.000 1.055 374 E HN 0.406 nan 8.360 nan 0.000 0.409 375 P HA 0.010 nan 4.420 nan 0.000 0.268 375 P C -0.592 176.736 177.300 0.046 0.000 1.205 375 P CA -0.089 63.043 63.100 0.053 0.000 0.771 375 P CB 0.942 32.678 31.700 0.060 0.000 0.858 376 T N 0.000 114.578 114.554 0.040 0.000 3.816 376 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 376 T CA 0.000 62.120 62.100 0.033 0.000 1.349 376 T CB 0.000 68.886 68.868 0.029 0.000 0.612 376 T HN 0.000 nan 8.240 nan 0.000 0.658