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 1sry_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVDLKRLRQE PEVFHRAIRE KGVALDLEAL LALDREVQEL KKRLQEVQTE DATA SEQUENCE RNQVAKRVPK APPEEKEALI ARGKALGEEA KRLEEALREK EARLEALLLQ DATA SEQUENCE VPLPPWPGAP VGGEEANREI KRVGGPPEFS FPPLDHVALM EKNGWWEPRI DATA SEQUENCE SQVSGSRSYA LKGDLALYEL ALLRFAMDFM ARRGFLPMTL PSYAREKAFL DATA SEQUENCE GTGHFPAYRD QVWAIAETDL YLTGTAEVVL NALHSGEILP YEALPLRYAG DATA SEQUENCE YAPAFRSEAG SFGKDVRGLM RVHQFHKVEQ YVLTEASLEA SDRAFQELLE DATA SEQUENCE NAEEILRLLE LPYRLVEVAT GDMGPGKWRQ VDIEVYLPSE GRYRETHSCS DATA SEQUENCE ALLDWQARRA NLRYRDPEGR VRYAYTLNNT ALATPRILAM LLENHQLQDG DATA SEQUENCE RVRVPQALIP YMGKEVLEPC G 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.060 176.300 -0.400 0.000 1.140 1 M CA 0.000 54.925 55.300 -0.625 0.000 0.988 1 M CB 0.000 32.339 32.600 -0.434 0.000 1.302 2 V N 2.154 121.957 119.914 -0.186 0.000 2.713 2 V HA 0.403 4.523 4.120 -0.000 0.000 0.307 2 V C -0.251 175.759 176.094 -0.141 0.000 1.052 2 V CA -0.548 61.710 62.300 -0.070 0.000 0.967 2 V CB 1.842 33.647 31.823 -0.031 0.000 1.019 2 V HN 0.831 nan 8.190 nan 0.000 0.459 3 D N 2.346 122.692 120.400 -0.091 0.000 2.383 3 D HA 0.003 4.643 4.640 -0.000 0.000 0.275 3 D C 1.093 177.323 176.300 -0.117 0.000 1.344 3 D CA 0.530 54.485 54.000 -0.076 0.000 0.984 3 D CB 0.471 41.273 40.800 0.003 0.000 1.104 3 D HN 0.490 nan 8.370 nan 0.000 0.524 4 L N 3.946 125.098 121.223 -0.117 0.000 2.089 4 L HA -0.238 4.102 4.340 -0.000 0.000 0.213 4 L C 2.520 179.344 176.870 -0.077 0.000 1.079 4 L CA 1.345 56.116 54.840 -0.116 0.000 0.758 4 L CB -0.256 41.755 42.059 -0.080 0.000 0.891 4 L HN 0.488 nan 8.230 nan 0.000 0.433 5 K N 0.279 120.657 120.400 -0.036 0.000 1.977 5 K HA -0.299 4.021 4.320 -0.000 0.000 0.218 5 K C 2.258 178.862 176.600 0.007 0.000 1.051 5 K CA 2.030 58.314 56.287 -0.005 0.000 0.953 5 K CB -0.180 32.329 32.500 0.015 0.000 0.727 5 K HN 0.047 nan 8.250 nan 0.000 0.445 6 R N 0.723 121.238 120.500 0.024 0.000 2.117 6 R HA -0.159 4.181 4.340 -0.000 0.000 0.243 6 R C 2.343 178.690 176.300 0.079 0.000 1.143 6 R CA 1.405 57.561 56.100 0.093 0.000 0.968 6 R CB -0.658 29.740 30.300 0.163 0.000 0.863 6 R HN 0.325 nan 8.270 nan 0.000 0.444 7 L N 0.651 121.779 121.223 -0.157 0.000 1.976 7 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 7 L C 1.953 178.785 176.870 -0.064 0.000 1.071 7 L CA 1.884 56.517 54.840 -0.346 0.000 0.746 7 L CB -0.492 41.270 42.059 -0.496 0.000 0.890 7 L HN 0.081 nan 8.230 nan 0.000 0.432 8 R N -0.567 119.907 120.500 -0.042 0.000 2.117 8 R HA -0.212 4.127 4.340 -0.000 0.000 0.243 8 R C 2.012 178.338 176.300 0.042 0.000 1.143 8 R CA 1.889 57.991 56.100 0.005 0.000 0.968 8 R CB -0.335 29.963 30.300 -0.002 0.000 0.863 8 R HN 0.733 nan 8.270 nan 0.000 0.444 9 Q N -0.401 119.435 119.800 0.061 0.000 2.319 9 Q HA 0.068 4.407 4.340 -0.000 0.000 0.202 9 Q C -0.076 175.988 176.000 0.107 0.000 0.896 9 Q CA 0.518 56.365 55.803 0.074 0.000 0.942 9 Q CB 0.729 29.504 28.738 0.063 0.000 1.083 9 Q HN 0.172 nan 8.270 nan 0.000 0.510 10 E N 0.622 120.920 120.200 0.163 0.000 3.918 10 E HA 0.114 4.464 4.350 -0.000 0.000 0.183 10 E C -2.188 174.584 176.600 0.287 0.000 1.021 10 E CA -1.191 55.330 56.400 0.202 0.000 1.431 10 E CB 1.137 30.969 29.700 0.221 0.000 1.140 10 E HN 0.184 nan 8.360 nan 0.000 0.435 11 P HA -0.210 nan 4.420 nan 0.000 0.220 11 P C 1.312 178.762 177.300 0.250 0.000 1.148 11 P CA 0.871 64.146 63.100 0.292 0.000 0.803 11 P CB 0.460 32.265 31.700 0.176 0.000 0.782 12 E N 0.496 120.789 120.200 0.154 0.000 2.132 12 E HA -0.202 4.148 4.350 -0.000 0.000 0.218 12 E C 1.910 178.560 176.600 0.083 0.000 1.058 12 E CA 1.870 58.332 56.400 0.103 0.000 0.882 12 E CB -0.852 28.885 29.700 0.061 0.000 0.774 12 E HN 0.037 nan 8.360 nan 0.000 0.467 13 V N 0.258 120.177 119.914 0.008 0.000 2.261 13 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 13 V C 2.400 178.278 176.094 -0.360 0.000 1.047 13 V CA 2.228 64.406 62.300 -0.204 0.000 1.015 13 V CB -0.784 30.848 31.823 -0.318 0.000 0.642 13 V HN 0.178 nan 8.190 nan 0.000 0.446 14 F N -0.242 119.757 119.950 0.081 0.000 2.293 14 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 14 F C 2.383 178.207 175.800 0.039 0.000 1.086 14 F CA 1.859 59.899 58.000 0.067 0.000 1.375 14 F CB -0.708 38.337 39.000 0.075 0.000 1.045 14 F HN 0.264 nan 8.300 nan 0.000 0.516 15 H N 0.168 119.307 119.070 0.114 0.000 2.307 15 H HA -0.065 4.491 4.556 -0.000 0.000 0.303 15 H C 2.595 177.934 175.328 0.019 0.000 1.073 15 H CA 1.883 57.973 56.048 0.071 0.000 1.338 15 H CB -0.104 29.695 29.762 0.062 0.000 1.389 15 H HN 0.022 nan 8.280 nan 0.000 0.503 16 R N 0.161 120.649 120.500 -0.019 0.000 2.112 16 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 16 R C 2.322 178.552 176.300 -0.117 0.000 1.137 16 R CA 1.706 57.776 56.100 -0.050 0.000 0.944 16 R CB -0.613 29.673 30.300 -0.024 0.000 0.857 16 R HN 0.453 nan 8.270 nan 0.000 0.435 17 A N 0.695 123.439 122.820 -0.126 0.000 1.930 17 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 17 A C 2.171 179.709 177.584 -0.077 0.000 1.175 17 A CA 1.244 53.215 52.037 -0.111 0.000 0.627 17 A CB -0.412 18.505 19.000 -0.139 0.000 0.815 17 A HN 0.388 nan 8.150 nan 0.000 0.443 18 I N 0.134 120.656 120.570 -0.080 0.000 2.127 18 I HA -0.348 3.822 4.170 -0.000 0.000 0.241 18 I C 2.843 178.895 176.117 -0.108 0.000 1.075 18 I CA 2.044 63.298 61.300 -0.076 0.000 1.334 18 I CB -0.304 37.645 38.000 -0.086 0.000 1.040 18 I HN 0.483 nan 8.210 nan 0.000 0.405 19 R N 0.867 121.262 120.500 -0.176 0.000 2.075 19 R HA -0.076 4.263 4.340 -0.000 0.000 0.226 19 R C 1.851 178.102 176.300 -0.082 0.000 1.114 19 R CA 1.078 57.103 56.100 -0.124 0.000 0.972 19 R CB -0.748 29.473 30.300 -0.132 0.000 0.869 19 R HN 0.350 nan 8.270 nan 0.000 0.437 20 E N 1.213 121.361 120.200 -0.087 0.000 2.219 20 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 20 E C 1.293 177.856 176.600 -0.062 0.000 0.998 20 E CA 1.239 57.595 56.400 -0.074 0.000 0.818 20 E CB 0.083 29.730 29.700 -0.089 0.000 0.741 20 E HN 0.407 nan 8.360 nan 0.000 0.477 21 K N -0.762 119.604 120.400 -0.058 0.000 2.358 21 K HA 0.116 4.435 4.320 -0.000 0.000 0.197 21 K C 0.570 177.153 176.600 -0.028 0.000 1.025 21 K CA 0.406 56.668 56.287 -0.042 0.000 1.104 21 K CB 1.178 33.652 32.500 -0.043 0.000 0.855 21 K HN 0.150 nan 8.250 nan 0.000 0.531 22 G N 2.073 110.854 108.800 -0.032 0.000 2.314 22 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.292 22 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.292 22 G C -0.082 174.809 174.900 -0.014 0.000 1.059 22 G CA -0.087 45.000 45.100 -0.022 0.000 0.982 22 G HN 0.113 nan 8.290 nan 0.000 0.505 23 V N 0.460 120.362 119.914 -0.019 0.000 2.385 23 V HA 0.595 4.715 4.120 -0.000 0.000 0.269 23 V C 1.138 177.229 176.094 -0.005 0.000 1.043 23 V CA -0.082 62.214 62.300 -0.007 0.000 0.906 23 V CB 1.388 33.214 31.823 0.006 0.000 0.995 23 V HN 1.168 nan 8.190 nan 0.000 0.467 24 A N 6.600 129.420 122.820 0.000 0.000 3.030 24 A HA 0.479 4.799 4.320 -0.000 0.000 0.273 24 A C -0.350 177.241 177.584 0.011 0.000 1.841 24 A CA 0.288 52.327 52.037 0.004 0.000 1.479 24 A CB -0.790 18.212 19.000 0.003 0.000 1.048 24 A HN 0.774 nan 8.150 nan 0.000 0.612 25 L N 1.360 122.592 121.223 0.015 0.000 2.541 25 L HA 0.359 4.699 4.340 -0.000 0.000 0.266 25 L C -1.046 175.844 176.870 0.034 0.000 0.966 25 L CA -0.447 54.409 54.840 0.026 0.000 0.871 25 L CB 1.937 44.019 42.059 0.038 0.000 1.232 25 L HN 0.379 nan 8.230 nan 0.000 0.408 26 D N 4.098 124.521 120.400 0.038 0.000 2.359 26 D HA 0.033 4.672 4.640 -0.000 0.000 0.250 26 D C 0.884 177.221 176.300 0.063 0.000 1.264 26 D CA -0.015 54.017 54.000 0.052 0.000 0.911 26 D CB 1.109 41.933 40.800 0.041 0.000 1.056 26 D HN 0.587 nan 8.370 nan 0.000 0.499 27 L N 4.191 125.471 121.223 0.094 0.000 2.141 27 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 27 L C 1.761 178.680 176.870 0.082 0.000 1.094 27 L CA 1.656 56.559 54.840 0.104 0.000 0.763 27 L CB -0.222 41.939 42.059 0.169 0.000 0.908 27 L HN 0.368 nan 8.230 nan 0.000 0.437 28 E N -0.250 119.996 120.200 0.077 0.000 2.038 28 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 28 E C 2.281 178.902 176.600 0.035 0.000 1.000 28 E CA 1.575 58.005 56.400 0.050 0.000 0.803 28 E CB -0.571 29.153 29.700 0.041 0.000 0.750 28 E HN 0.557 nan 8.360 nan 0.000 0.448 29 A N 0.819 123.660 122.820 0.034 0.000 1.948 29 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 29 A C 2.230 179.825 177.584 0.019 0.000 1.177 29 A CA 1.530 53.581 52.037 0.023 0.000 0.636 29 A CB -0.783 18.230 19.000 0.023 0.000 0.815 29 A HN 0.309 nan 8.150 nan 0.000 0.449 30 L N -0.694 120.542 121.223 0.022 0.000 2.005 30 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 30 L C 2.388 179.262 176.870 0.006 0.000 1.072 30 L CA 1.560 56.407 54.840 0.012 0.000 0.744 30 L CB -0.246 41.821 42.059 0.014 0.000 0.895 30 L HN 0.411 nan 8.230 nan 0.000 0.433 31 L N -0.242 120.990 121.223 0.014 0.000 2.131 31 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 31 L C 2.771 179.646 176.870 0.008 0.000 1.092 31 L CA 0.960 55.806 54.840 0.010 0.000 0.759 31 L CB -0.859 41.214 42.059 0.022 0.000 0.903 31 L HN 0.377 nan 8.230 nan 0.000 0.435 32 A N 0.050 122.876 122.820 0.011 0.000 1.845 32 A HA -0.216 4.104 4.320 -0.000 0.000 0.215 32 A C 2.208 179.795 177.584 0.005 0.000 1.195 32 A CA 1.625 53.668 52.037 0.009 0.000 0.616 32 A CB -0.782 18.224 19.000 0.011 0.000 0.832 32 A HN 0.270 nan 8.150 nan 0.000 0.443 33 L N 0.277 121.502 121.223 0.004 0.000 2.083 33 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 33 L C 2.086 178.954 176.870 -0.002 0.000 1.083 33 L CA 2.502 57.342 54.840 0.001 0.000 0.752 33 L CB -0.590 41.469 42.059 0.001 0.000 0.899 33 L HN 0.589 nan 8.230 nan 0.000 0.433 34 D N -1.090 119.307 120.400 -0.005 0.000 2.087 34 D HA -0.231 4.409 4.640 -0.000 0.000 0.192 34 D C 2.234 178.531 176.300 -0.005 0.000 0.993 34 D CA 1.341 55.336 54.000 -0.009 0.000 0.828 34 D CB 0.029 40.821 40.800 -0.014 0.000 0.968 34 D HN 0.030 nan 8.370 nan 0.000 0.448 35 R N 0.373 120.872 120.500 -0.002 0.000 2.083 35 R HA -0.118 4.222 4.340 -0.000 0.000 0.237 35 R C 2.401 178.702 176.300 0.001 0.000 1.137 35 R CA 1.373 57.473 56.100 0.001 0.000 0.951 35 R CB -0.781 29.521 30.300 0.003 0.000 0.851 35 R HN 0.528 nan 8.270 nan 0.000 0.434 36 E N -0.026 120.175 120.200 0.001 0.000 2.049 36 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 36 E C 2.058 178.659 176.600 0.001 0.000 1.007 36 E CA 1.682 58.083 56.400 0.001 0.000 0.809 36 E CB -0.188 29.513 29.700 0.002 0.000 0.749 36 E HN 0.047 nan 8.360 nan 0.000 0.450 37 V N 1.554 121.468 119.914 -0.001 0.000 2.343 37 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 37 V C 2.330 178.423 176.094 -0.001 0.000 1.051 37 V CA 1.673 63.972 62.300 -0.001 0.000 1.036 37 V CB -0.508 31.313 31.823 -0.003 0.000 0.654 37 V HN 0.251 nan 8.190 nan 0.000 0.451 38 Q N -0.386 119.413 119.800 -0.002 0.000 2.084 38 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 38 Q C 2.261 178.261 176.000 0.000 0.000 0.978 38 Q CA 1.340 57.142 55.803 -0.001 0.000 0.844 38 Q CB -0.532 28.205 28.738 -0.001 0.000 0.898 38 Q HN 0.612 nan 8.270 nan 0.000 0.426 39 E N 0.602 120.802 120.200 0.001 0.000 2.047 39 E HA -0.112 4.237 4.350 -0.000 0.000 0.191 39 E C 2.030 178.630 176.600 0.001 0.000 0.987 39 E CA 0.467 56.868 56.400 0.001 0.000 0.799 39 E CB 0.053 29.754 29.700 0.002 0.000 0.752 39 E HN 0.173 nan 8.360 nan 0.000 0.449 40 L N 1.542 122.765 121.223 0.001 0.000 2.013 40 L HA -0.228 4.111 4.340 -0.000 0.000 0.212 40 L C 2.463 179.334 176.870 0.001 0.000 1.073 40 L CA 1.820 56.661 54.840 0.001 0.000 0.753 40 L CB -0.566 41.494 42.059 0.001 0.000 0.890 40 L HN 0.050 nan 8.230 nan 0.000 0.432 41 K N -0.777 119.624 120.400 0.001 0.000 2.025 41 K HA -0.213 4.106 4.320 -0.000 0.000 0.207 41 K C 2.158 178.759 176.600 0.001 0.000 1.049 41 K CA 1.228 57.516 56.287 0.001 0.000 0.933 41 K CB -0.201 32.300 32.500 0.001 0.000 0.714 41 K HN 0.235 nan 8.250 nan 0.000 0.438 42 K N 1.356 121.756 120.400 0.001 0.000 2.001 42 K HA -0.267 4.052 4.320 -0.000 0.000 0.214 42 K C 2.321 178.922 176.600 0.002 0.000 1.050 42 K CA 1.776 58.064 56.287 0.001 0.000 0.934 42 K CB -0.095 32.406 32.500 0.002 0.000 0.718 42 K HN -0.116 nan 8.250 nan 0.000 0.443 43 R N 1.145 121.646 120.500 0.002 0.000 2.080 43 R HA -0.151 4.189 4.340 -0.000 0.000 0.236 43 R C 2.370 178.671 176.300 0.002 0.000 1.137 43 R CA 1.789 57.890 56.100 0.002 0.000 0.943 43 R CB -0.973 29.328 30.300 0.002 0.000 0.846 43 R HN 0.367 nan 8.270 nan 0.000 0.431 44 L N 0.482 121.706 121.223 0.002 0.000 2.127 44 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 44 L C 2.190 179.061 176.870 0.002 0.000 1.089 44 L CA 1.853 56.694 54.840 0.002 0.000 0.757 44 L CB -0.303 41.758 42.059 0.002 0.000 0.899 44 L HN 0.343 nan 8.230 nan 0.000 0.434 45 Q N -0.507 119.294 119.800 0.002 0.000 2.046 45 Q HA -0.218 4.122 4.340 -0.000 0.000 0.200 45 Q C 2.113 178.114 176.000 0.001 0.000 0.975 45 Q CA 2.060 57.863 55.803 0.001 0.000 0.836 45 Q CB -0.088 28.651 28.738 0.001 0.000 0.896 45 Q HN 0.590 nan 8.270 nan 0.000 0.428 46 E N -0.430 119.771 120.200 0.001 0.000 2.070 46 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 46 E C 2.027 178.628 176.600 0.001 0.000 1.004 46 E CA 1.638 58.038 56.400 0.001 0.000 0.805 46 E CB -0.103 29.598 29.700 0.001 0.000 0.744 46 E HN 0.146 nan 8.360 nan 0.000 0.451 47 V N 1.576 121.491 119.914 0.001 0.000 2.233 47 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 47 V C 2.404 178.498 176.094 0.001 0.000 1.050 47 V CA 1.835 64.136 62.300 0.001 0.000 1.010 47 V CB -0.675 31.149 31.823 0.001 0.000 0.637 47 V HN 0.252 nan 8.190 nan 0.000 0.444 48 Q N -0.195 119.606 119.800 0.001 0.000 2.077 48 Q HA -0.230 4.110 4.340 -0.000 0.000 0.206 48 Q C 2.340 178.341 176.000 0.001 0.000 0.989 48 Q CA 2.446 58.250 55.803 0.001 0.000 0.853 48 Q CB -1.221 27.518 28.738 0.001 0.000 0.907 48 Q HN 0.655 nan 8.270 nan 0.000 0.418 49 T N 1.230 115.785 114.554 0.001 0.000 2.570 49 T HA -0.237 4.113 4.350 -0.000 0.000 0.266 49 T C 1.800 176.500 174.700 0.001 0.000 1.071 49 T CA 1.947 64.047 62.100 0.001 0.000 1.172 49 T CB -0.227 68.642 68.868 0.001 0.000 0.864 49 T HN 0.442 nan 8.240 nan 0.000 0.421 50 E N 0.176 120.376 120.200 0.001 0.000 2.077 50 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 50 E C 2.482 179.082 176.600 0.001 0.000 0.989 50 E CA 0.818 57.218 56.400 0.001 0.000 0.800 50 E CB -0.076 29.624 29.700 0.001 0.000 0.746 50 E HN 0.288 nan 8.360 nan 0.000 0.452 51 R N 0.285 120.786 120.500 0.001 0.000 2.096 51 R HA -0.202 4.138 4.340 -0.000 0.000 0.240 51 R C 1.939 178.240 176.300 0.001 0.000 1.139 51 R CA 2.148 58.249 56.100 0.001 0.000 0.952 51 R CB -0.153 30.148 30.300 0.001 0.000 0.854 51 R HN 0.221 nan 8.270 nan 0.000 0.436 52 N N 0.522 119.223 118.700 0.001 0.000 2.080 52 N HA -0.163 4.577 4.740 -0.000 0.000 0.189 52 N C 1.776 177.286 175.510 0.001 0.000 1.036 52 N CA 1.222 54.273 53.050 0.001 0.000 0.846 52 N CB -0.644 37.844 38.487 0.001 0.000 1.015 52 N HN 0.325 nan 8.380 nan 0.000 0.423 53 Q N 0.638 120.439 119.800 0.001 0.000 2.065 53 Q HA -0.186 4.154 4.340 -0.000 0.000 0.213 53 Q C 2.048 178.048 176.000 0.001 0.000 1.012 53 Q CA 1.891 57.694 55.803 0.001 0.000 0.876 53 Q CB -0.468 28.270 28.738 0.001 0.000 0.954 53 Q HN 0.122 nan 8.270 nan 0.000 0.413 54 V N 0.734 120.649 119.914 0.001 0.000 2.250 54 V HA -0.392 3.728 4.120 -0.000 0.000 0.253 54 V C 2.255 178.350 176.094 0.001 0.000 1.065 54 V CA 2.199 64.499 62.300 0.001 0.000 1.039 54 V CB -1.085 30.739 31.823 0.001 0.000 0.647 54 V HN 0.551 nan 8.190 nan 0.000 0.446 55 A N -1.237 121.584 122.820 0.001 0.000 1.933 55 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 55 A C 2.290 179.874 177.584 0.001 0.000 1.175 55 A CA 2.125 54.162 52.037 0.001 0.000 0.628 55 A CB -0.539 18.462 19.000 0.001 0.000 0.814 55 A HN 0.551 nan 8.150 nan 0.000 0.444 56 K N -0.797 119.604 120.400 0.000 0.000 2.113 56 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 56 K C 2.018 178.618 176.600 0.000 0.000 1.047 56 K CA 1.703 57.991 56.287 0.000 0.000 0.928 56 K CB -0.058 32.443 32.500 0.000 0.000 0.716 56 K HN 0.367 nan 8.250 nan 0.000 0.446 57 R N -0.619 119.881 120.500 0.000 0.000 2.240 57 R HA 0.021 4.360 4.340 -0.000 0.000 0.203 57 R C 1.901 178.201 176.300 0.000 0.000 1.011 57 R CA 0.289 56.389 56.100 0.000 0.000 1.007 57 R CB 0.056 30.356 30.300 0.000 0.000 0.911 57 R HN -0.015 nan 8.270 nan 0.000 0.468 58 V N 1.099 121.013 119.914 0.000 0.000 2.346 58 V HA -0.060 4.060 4.120 -0.000 0.000 0.244 58 V C -0.882 175.212 176.094 0.000 0.000 1.037 58 V CA 1.187 63.488 62.300 0.001 0.000 1.029 58 V CB -0.993 30.831 31.823 0.001 0.000 0.663 58 V HN 0.139 nan 8.190 nan 0.000 0.454 59 P HA -0.209 nan 4.420 nan 0.000 0.219 59 P C 1.078 178.378 177.300 0.000 0.000 1.158 59 P CA 1.558 64.658 63.100 0.000 0.000 0.895 59 P CB -0.083 31.617 31.700 0.000 0.000 0.792 60 K N -1.342 119.058 120.400 0.000 0.000 2.500 60 K HA 0.360 4.680 4.320 -0.000 0.000 0.206 60 K C 0.447 177.047 176.600 0.000 0.000 1.034 60 K CA -0.209 56.078 56.287 0.000 0.000 1.179 60 K CB 0.187 32.688 32.500 0.000 0.000 0.884 60 K HN 0.070 nan 8.250 nan 0.000 0.493 61 A N 2.909 125.729 122.820 0.000 0.000 2.304 61 A HA 0.501 4.821 4.320 -0.000 0.000 0.323 61 A C -2.363 175.221 177.584 0.000 0.000 1.195 61 A CA -1.503 50.534 52.037 0.000 0.000 0.826 61 A CB 0.449 19.449 19.000 0.000 0.000 1.184 61 A HN -0.049 nan 8.150 nan 0.000 0.496 62 P HA 0.157 nan 4.420 nan 0.000 0.271 62 P C -2.030 175.271 177.300 0.000 0.000 1.220 62 P CA -1.092 62.008 63.100 0.000 0.000 0.768 62 P CB 0.664 32.364 31.700 0.000 0.000 0.848 63 P HA -0.254 nan 4.420 nan 0.000 0.216 63 P C 1.260 178.560 177.300 0.000 0.000 1.157 63 P CA 1.550 64.651 63.100 0.000 0.000 0.880 63 P CB 0.135 31.835 31.700 0.000 0.000 0.791 64 E N 0.739 120.939 120.200 0.000 0.000 2.464 64 E HA -0.241 4.109 4.350 -0.000 0.000 0.250 64 E C 1.067 177.667 176.600 0.000 0.000 1.063 64 E CA 2.269 58.669 56.400 0.000 0.000 1.155 64 E CB -1.040 28.660 29.700 0.000 0.000 1.041 64 E HN 0.672 nan 8.360 nan 0.000 0.495 65 E N 0.061 120.261 120.200 0.000 0.000 3.269 65 E HA 0.291 4.641 4.350 -0.000 0.000 0.221 65 E C 0.804 177.404 176.600 0.001 0.000 1.113 65 E CA -0.216 56.184 56.400 0.001 0.000 1.385 65 E CB 0.775 30.475 29.700 0.000 0.000 1.345 65 E HN 0.046 nan 8.360 nan 0.000 0.435 66 K N 1.155 121.555 120.400 0.001 0.000 2.335 66 K HA -0.026 4.294 4.320 -0.000 0.000 0.195 66 K C 1.713 178.313 176.600 0.001 0.000 1.058 66 K CA 0.193 56.480 56.287 0.001 0.000 0.988 66 K CB 0.319 32.820 32.500 0.001 0.000 0.880 66 K HN 0.259 nan 8.250 nan 0.000 0.513 67 E N 1.134 121.334 120.200 0.001 0.000 2.065 67 E HA -0.257 4.092 4.350 -0.000 0.000 0.201 67 E C 1.691 178.291 176.600 0.001 0.000 1.016 67 E CA 1.663 58.063 56.400 0.001 0.000 0.818 67 E CB -0.167 29.533 29.700 0.001 0.000 0.749 67 E HN 0.360 nan 8.360 nan 0.000 0.453 68 A N 0.959 123.780 122.820 0.001 0.000 1.958 68 A HA -0.207 4.113 4.320 -0.000 0.000 0.221 68 A C 2.349 179.934 177.584 0.001 0.000 1.178 68 A CA 1.813 53.851 52.037 0.001 0.000 0.642 68 A CB -0.657 18.343 19.000 0.001 0.000 0.816 68 A HN 0.339 nan 8.150 nan 0.000 0.453 69 L N -0.795 120.428 121.223 0.001 0.000 2.102 69 L HA -0.023 4.317 4.340 -0.000 0.000 0.202 69 L C 2.528 179.399 176.870 0.001 0.000 1.076 69 L CA 0.703 55.543 54.840 0.001 0.000 0.761 69 L CB -0.480 41.579 42.059 0.001 0.000 0.921 69 L HN 0.499 nan 8.230 nan 0.000 0.444 70 I N 0.942 121.513 120.570 0.001 0.000 2.151 70 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 70 I C 2.511 178.629 176.117 0.001 0.000 1.080 70 I CA 2.111 63.411 61.300 0.001 0.000 1.339 70 I CB -0.553 37.447 38.000 0.001 0.000 1.039 70 I HN 0.218 nan 8.210 nan 0.000 0.409 71 A N 1.354 124.174 122.820 0.001 0.000 1.851 71 A HA -0.302 4.018 4.320 -0.000 0.000 0.216 71 A C 2.419 180.004 177.584 0.001 0.000 1.195 71 A CA 2.423 54.461 52.037 0.001 0.000 0.622 71 A CB -0.869 18.132 19.000 0.001 0.000 0.831 71 A HN 0.503 nan 8.150 nan 0.000 0.444 72 R N -0.071 120.429 120.500 0.001 0.000 2.081 72 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 72 R C 2.165 178.466 176.300 0.001 0.000 1.131 72 R CA 1.974 58.074 56.100 0.001 0.000 0.960 72 R CB -1.396 28.905 30.300 0.001 0.000 0.856 72 R HN 0.421 nan 8.270 nan 0.000 0.436 73 G N 0.372 109.172 108.800 0.001 0.000 2.418 73 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 73 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 73 G C 1.462 176.362 174.900 0.001 0.000 1.158 73 G CA 0.759 45.860 45.100 0.001 0.000 0.771 73 G HN 0.379 nan 8.290 nan 0.000 0.545 74 K N 0.463 120.864 120.400 0.001 0.000 2.103 74 K HA 0.105 4.425 4.320 -0.000 0.000 0.204 74 K C 2.838 179.438 176.600 0.001 0.000 1.052 74 K CA 0.980 57.268 56.287 0.001 0.000 0.945 74 K CB -0.229 32.272 32.500 0.001 0.000 0.722 74 K HN 0.206 nan 8.250 nan 0.000 0.443 75 A N 1.236 124.056 122.820 0.001 0.000 1.902 75 A HA -0.157 4.162 4.320 -0.000 0.000 0.217 75 A C 1.981 179.566 177.584 0.001 0.000 1.181 75 A CA 1.135 53.172 52.037 0.001 0.000 0.623 75 A CB -0.522 18.479 19.000 0.001 0.000 0.818 75 A HN 0.244 nan 8.150 nan 0.000 0.443 76 L N -0.033 121.191 121.223 0.001 0.000 2.042 76 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 76 L C 2.668 179.539 176.870 0.001 0.000 1.076 76 L CA 1.884 56.725 54.840 0.001 0.000 0.749 76 L CB -1.288 40.772 42.059 0.001 0.000 0.893 76 L HN 0.411 nan 8.230 nan 0.000 0.432 77 G N -1.498 107.302 108.800 0.001 0.000 2.484 77 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.215 77 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.215 77 G C 1.508 176.409 174.900 0.002 0.000 1.219 77 G CA 0.693 45.794 45.100 0.001 0.000 0.791 77 G HN 0.440 nan 8.290 nan 0.000 0.550 78 E N 0.066 120.266 120.200 0.002 0.000 2.147 78 E HA -0.240 4.109 4.350 -0.000 0.000 0.199 78 E C 2.254 178.855 176.600 0.002 0.000 1.005 78 E CA 1.553 57.954 56.400 0.002 0.000 0.810 78 E CB -0.132 29.569 29.700 0.002 0.000 0.736 78 E HN 0.671 nan 8.360 nan 0.000 0.460 79 E N -0.550 119.651 120.200 0.002 0.000 2.076 79 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 79 E C 2.012 178.614 176.600 0.002 0.000 0.979 79 E CA 0.700 57.100 56.400 0.002 0.000 0.807 79 E CB -0.123 29.578 29.700 0.002 0.000 0.761 79 E HN 0.316 nan 8.360 nan 0.000 0.454 80 A N 1.849 124.670 122.820 0.002 0.000 1.927 80 A HA -0.291 4.029 4.320 -0.000 0.000 0.220 80 A C 2.009 179.595 177.584 0.002 0.000 1.185 80 A CA 2.077 54.115 52.037 0.002 0.000 0.639 80 A CB -0.489 18.512 19.000 0.002 0.000 0.820 80 A HN 0.194 nan 8.150 nan 0.000 0.451 81 K N -0.865 119.536 120.400 0.002 0.000 1.991 81 K HA -0.157 4.163 4.320 -0.000 0.000 0.212 81 K C 2.302 178.904 176.600 0.002 0.000 1.049 81 K CA 1.601 57.889 56.287 0.002 0.000 0.932 81 K CB -0.283 32.218 32.500 0.002 0.000 0.717 81 K HN 0.379 nan 8.250 nan 0.000 0.441 82 R N 0.890 121.391 120.500 0.002 0.000 2.139 82 R HA -0.120 4.220 4.340 -0.000 0.000 0.243 82 R C 2.380 178.681 176.300 0.002 0.000 1.145 82 R CA 1.229 57.331 56.100 0.002 0.000 0.976 82 R CB -0.397 29.904 30.300 0.002 0.000 0.866 82 R HN 0.191 nan 8.270 nan 0.000 0.449 83 L N 0.029 121.253 121.223 0.002 0.000 2.044 83 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 83 L C 2.202 179.073 176.870 0.002 0.000 1.075 83 L CA 1.365 56.207 54.840 0.002 0.000 0.747 83 L CB -0.405 41.655 42.059 0.002 0.000 0.903 83 L HN 0.161 nan 8.230 nan 0.000 0.435 84 E N 0.067 120.268 120.200 0.002 0.000 2.049 84 E HA -0.312 4.037 4.350 -0.000 0.000 0.198 84 E C 2.101 178.702 176.600 0.003 0.000 1.007 84 E CA 1.777 58.178 56.400 0.003 0.000 0.809 84 E CB -0.087 29.615 29.700 0.003 0.000 0.749 84 E HN 0.432 nan 8.360 nan 0.000 0.450 85 E N 0.312 120.514 120.200 0.003 0.000 2.051 85 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 85 E C 2.031 178.632 176.600 0.003 0.000 0.991 85 E CA 1.100 57.501 56.400 0.003 0.000 0.799 85 E CB -0.093 29.608 29.700 0.003 0.000 0.748 85 E HN 0.240 nan 8.360 nan 0.000 0.449 86 A N 0.912 123.734 122.820 0.002 0.000 1.898 86 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 86 A C 2.131 179.717 177.584 0.002 0.000 1.181 86 A CA 1.109 53.147 52.037 0.002 0.000 0.620 86 A CB -0.637 18.364 19.000 0.002 0.000 0.819 86 A HN 0.372 nan 8.150 nan 0.000 0.442 87 L N -0.012 121.212 121.223 0.002 0.000 2.083 87 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 87 L C 2.468 179.339 176.870 0.002 0.000 1.083 87 L CA 1.709 56.550 54.840 0.002 0.000 0.752 87 L CB -0.575 41.485 42.059 0.002 0.000 0.899 87 L HN 0.355 nan 8.230 nan 0.000 0.433 88 R N -0.608 119.894 120.500 0.003 0.000 2.132 88 R HA -0.241 4.099 4.340 -0.000 0.000 0.233 88 R C 2.231 178.533 176.300 0.003 0.000 1.125 88 R CA 1.858 57.960 56.100 0.003 0.000 0.914 88 R CB -0.839 29.463 30.300 0.004 0.000 0.845 88 R HN 0.381 nan 8.270 nan 0.000 0.431 89 E N 1.276 121.478 120.200 0.003 0.000 2.097 89 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 89 E C 1.676 178.278 176.600 0.002 0.000 1.000 89 E CA 1.733 58.135 56.400 0.003 0.000 0.804 89 E CB 0.099 29.801 29.700 0.003 0.000 0.740 89 E HN 0.292 nan 8.360 nan 0.000 0.454 90 K N -0.027 120.374 120.400 0.001 0.000 2.098 90 K HA -0.050 4.270 4.320 -0.000 0.000 0.203 90 K C 2.306 178.905 176.600 -0.001 0.000 1.051 90 K CA 0.877 57.164 56.287 0.001 0.000 0.957 90 K CB -0.061 32.439 32.500 0.001 0.000 0.738 90 K HN 0.089 nan 8.250 nan 0.000 0.447 91 E N 0.882 121.081 120.200 -0.001 0.000 2.077 91 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 91 E C 1.910 178.509 176.600 -0.003 0.000 0.989 91 E CA 0.953 57.351 56.400 -0.002 0.000 0.800 91 E CB 0.009 29.708 29.700 -0.001 0.000 0.746 91 E HN 0.308 nan 8.360 nan 0.000 0.452 92 A N 1.439 124.259 122.820 -0.000 0.000 1.859 92 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 92 A C 2.181 179.764 177.584 -0.001 0.000 1.198 92 A CA 1.966 54.004 52.037 0.001 0.000 0.629 92 A CB -0.679 18.323 19.000 0.003 0.000 0.830 92 A HN 0.226 nan 8.150 nan 0.000 0.446 93 R N -0.940 119.560 120.500 -0.001 0.000 2.081 93 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 93 R C 2.084 178.382 176.300 -0.003 0.000 1.131 93 R CA 1.594 57.694 56.100 -0.001 0.000 0.960 93 R CB -0.425 29.875 30.300 0.000 0.000 0.856 93 R HN 0.450 nan 8.270 nan 0.000 0.436 94 L N 1.400 122.620 121.223 -0.006 0.000 2.042 94 L HA -0.155 4.184 4.340 -0.000 0.000 0.210 94 L C 1.747 178.607 176.870 -0.016 0.000 1.076 94 L CA 1.912 56.745 54.840 -0.010 0.000 0.749 94 L CB -0.381 41.671 42.059 -0.012 0.000 0.893 94 L HN 0.143 nan 8.230 nan 0.000 0.432 95 E N -0.076 120.115 120.200 -0.015 0.000 2.049 95 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 95 E C 2.244 178.833 176.600 -0.019 0.000 1.007 95 E CA 1.754 58.142 56.400 -0.020 0.000 0.809 95 E CB -0.592 29.100 29.700 -0.013 0.000 0.749 95 E HN 0.625 nan 8.360 nan 0.000 0.450 96 A N 0.220 123.034 122.820 -0.009 0.000 1.948 96 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 96 A C 1.912 179.494 177.584 -0.004 0.000 1.177 96 A CA 1.916 53.950 52.037 -0.005 0.000 0.636 96 A CB -0.615 18.384 19.000 -0.002 0.000 0.815 96 A HN 0.312 nan 8.150 nan 0.000 0.449 97 L N -3.398 117.822 121.223 -0.005 0.000 2.640 97 L HA 0.354 4.693 4.340 -0.000 0.000 0.230 97 L C 1.396 178.263 176.870 -0.005 0.000 1.123 97 L CA 0.286 55.127 54.840 0.001 0.000 0.900 97 L CB -0.295 41.768 42.059 0.006 0.000 1.146 97 L HN 0.022 nan 8.230 nan 0.000 0.484 98 L N 0.013 121.222 121.223 -0.024 0.000 2.156 98 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 98 L C 2.307 179.147 176.870 -0.049 0.000 1.095 98 L CA 1.396 56.208 54.840 -0.046 0.000 0.770 98 L CB -0.560 41.459 42.059 -0.067 0.000 0.914 98 L HN 0.444 nan 8.230 nan 0.000 0.439 99 L N -0.839 120.357 121.223 -0.045 0.000 2.353 99 L HA -0.208 4.132 4.340 -0.000 0.000 0.220 99 L C 2.232 179.126 176.870 0.040 0.000 1.133 99 L CA 0.886 55.699 54.840 -0.045 0.000 0.798 99 L CB -0.216 41.825 42.059 -0.030 0.000 0.922 99 L HN 0.402 nan 8.230 nan 0.000 0.445 100 Q N -0.930 118.907 119.800 0.061 0.000 2.384 100 Q HA 0.091 4.430 4.340 -0.000 0.000 0.207 100 Q C 0.292 176.386 176.000 0.156 0.000 0.904 100 Q CA -0.106 55.757 55.803 0.101 0.000 0.933 100 Q CB 0.769 29.539 28.738 0.054 0.000 1.077 100 Q HN 0.240 nan 8.270 nan 0.000 0.522 101 V N 4.707 124.717 119.914 0.160 0.000 2.521 101 V HA 0.096 4.215 4.120 -0.000 0.000 0.286 101 V C -1.919 174.403 176.094 0.381 0.000 1.034 101 V CA -1.090 61.329 62.300 0.197 0.000 1.045 101 V CB 0.339 32.219 31.823 0.095 0.000 0.974 101 V HN 0.117 nan 8.190 nan 0.000 0.480 102 P HA 0.266 nan 4.420 nan 0.000 0.281 102 P C -0.589 176.906 177.300 0.324 0.000 1.249 102 P CA -0.671 62.578 63.100 0.248 0.000 0.810 102 P CB 1.434 33.189 31.700 0.091 0.000 1.008 103 L N 4.875 126.161 121.223 0.105 0.000 2.397 103 L HA 0.365 4.705 4.340 -0.000 0.000 0.271 103 L C -2.330 174.584 176.870 0.074 0.000 1.148 103 L CA -1.880 53.059 54.840 0.164 0.000 0.825 103 L CB -0.193 41.849 42.059 -0.028 0.000 1.117 103 L HN 0.255 nan 8.230 nan 0.000 0.456 104 P HA 0.180 nan 4.420 nan 0.000 0.271 104 P C -2.586 174.753 177.300 0.065 0.000 1.216 104 P CA -0.842 62.243 63.100 -0.026 0.000 0.776 104 P CB 0.073 31.719 31.700 -0.091 0.000 0.881 105 P HA 0.029 nan 4.420 nan 0.000 0.274 105 P C -0.243 176.794 177.300 -0.439 0.000 1.231 105 P CA -0.467 62.534 63.100 -0.164 0.000 0.790 105 P CB 0.440 32.044 31.700 -0.161 0.000 0.951 106 W N 4.847 125.457 121.300 -1.150 0.000 2.209 106 W HA 0.063 4.723 4.660 -0.000 0.000 0.344 106 W C -1.861 174.236 176.519 -0.704 0.000 1.285 106 W CA -1.554 54.836 57.345 -1.591 0.000 1.267 106 W CB -1.352 27.043 29.460 -1.774 0.000 1.167 106 W HN 0.376 nan 8.180 nan 0.000 0.574 107 P HA -0.175 nan 4.420 nan 0.000 0.215 107 P C 1.721 178.490 177.300 -0.886 0.000 1.157 107 P CA 2.869 65.615 63.100 -0.590 0.000 0.874 107 P CB -0.446 31.047 31.700 -0.344 0.000 0.790 108 G N -0.392 107.457 108.800 -1.585 0.000 2.776 108 G HA2 0.157 4.116 3.960 -0.000 0.000 0.209 108 G HA3 0.157 4.116 3.960 -0.000 0.000 0.209 108 G C 0.697 174.832 174.900 -1.275 0.000 1.145 108 G CA 0.303 44.439 45.100 -1.606 0.000 0.791 108 G HN 0.553 nan 8.290 nan 0.000 0.530 109 A N 0.854 122.930 122.820 -1.239 0.000 2.409 109 A HA 0.586 4.905 4.320 -0.000 0.000 0.262 109 A C -2.193 175.213 177.584 -0.297 0.000 1.113 109 A CA -1.104 50.662 52.037 -0.451 0.000 0.790 109 A CB 0.472 19.326 19.000 -0.244 0.000 1.046 109 A HN 0.124 nan 8.150 nan 0.000 0.496 110 P HA 0.206 nan 4.420 nan 0.000 0.268 110 P C -0.550 176.685 177.300 -0.109 0.000 1.204 110 P CA -0.041 62.987 63.100 -0.121 0.000 0.768 110 P CB 0.653 32.315 31.700 -0.065 0.000 0.842 111 V N 3.483 123.331 119.914 -0.110 0.000 2.583 111 V HA 0.665 4.784 4.120 -0.000 0.000 0.287 111 V C 0.964 177.021 176.094 -0.062 0.000 1.051 111 V CA 0.947 63.193 62.300 -0.090 0.000 1.010 111 V CB 0.160 31.928 31.823 -0.093 0.000 0.988 111 V HN 1.021 nan 8.190 nan 0.000 0.478 112 G N 3.292 112.062 108.800 -0.051 0.000 2.343 112 G HA2 0.368 4.327 3.960 -0.000 0.000 0.465 112 G HA3 0.368 4.327 3.960 -0.000 0.000 0.465 112 G C -0.094 174.790 174.900 -0.027 0.000 1.282 112 G CA -0.350 44.729 45.100 -0.036 0.000 0.996 112 G HN 1.078 nan 8.290 nan 0.000 0.521 113 G N -1.295 107.494 108.800 -0.019 0.000 2.489 113 G HA2 0.486 4.446 3.960 -0.000 0.000 0.271 113 G HA3 0.486 4.446 3.960 -0.000 0.000 0.271 113 G C 0.975 175.871 174.900 -0.008 0.000 1.427 113 G CA 0.912 46.005 45.100 -0.011 0.000 1.057 113 G HN 1.119 nan 8.290 nan 0.000 0.532 114 E N -0.054 120.144 120.200 -0.002 0.000 2.187 114 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 114 E C 2.230 178.831 176.600 0.002 0.000 1.004 114 E CA 1.751 58.153 56.400 0.002 0.000 0.813 114 E CB -0.029 29.672 29.700 0.002 0.000 0.736 114 E HN 0.585 nan 8.360 nan 0.000 0.468 115 E N 0.490 120.689 120.200 -0.002 0.000 2.153 115 E HA -0.184 4.165 4.350 -0.000 0.000 0.194 115 E C 1.688 178.284 176.600 -0.006 0.000 0.988 115 E CA 1.325 57.723 56.400 -0.003 0.000 0.811 115 E CB -0.316 29.381 29.700 -0.004 0.000 0.746 115 E HN 0.313 nan 8.360 nan 0.000 0.466 116 A N 1.005 123.818 122.820 -0.011 0.000 2.208 116 A HA 0.003 4.322 4.320 -0.000 0.000 0.209 116 A C 0.803 178.378 177.584 -0.015 0.000 1.161 116 A CA -0.191 51.835 52.037 -0.018 0.000 0.782 116 A CB -0.778 18.206 19.000 -0.028 0.000 0.816 116 A HN 0.289 nan 8.150 nan 0.000 0.477 117 N N 0.422 119.119 118.700 -0.004 0.000 2.407 117 N HA 0.178 4.918 4.740 -0.000 0.000 0.250 117 N C -0.049 175.461 175.510 0.001 0.000 1.236 117 N CA 0.227 53.279 53.050 0.004 0.000 0.879 117 N CB 0.346 38.840 38.487 0.012 0.000 1.088 117 N HN 0.318 nan 8.380 nan 0.000 0.450 118 R N 1.731 122.234 120.500 0.006 0.000 2.476 118 R HA 0.086 4.426 4.340 -0.000 0.000 0.305 118 R C -0.901 175.398 176.300 -0.001 0.000 0.965 118 R CA -0.582 55.517 56.100 -0.001 0.000 0.867 118 R CB 1.054 31.354 30.300 0.001 0.000 1.176 118 R HN 0.568 nan 8.270 nan 0.000 0.447 119 E N 4.479 124.666 120.200 -0.022 0.000 2.415 119 E HA -0.045 4.305 4.350 -0.000 0.000 0.260 119 E C 0.547 177.134 176.600 -0.023 0.000 1.016 119 E CA 0.093 56.468 56.400 -0.041 0.000 0.924 119 E CB 0.616 30.269 29.700 -0.078 0.000 0.961 119 E HN 0.626 nan 8.360 nan 0.000 0.459 120 I N 3.950 124.515 120.570 -0.008 0.000 2.277 120 I HA -0.026 4.144 4.170 -0.000 0.000 0.243 120 I C 1.134 177.242 176.117 -0.016 0.000 1.094 120 I CA 0.813 62.118 61.300 0.008 0.000 1.393 120 I CB -0.020 38.003 38.000 0.038 0.000 1.078 120 I HN 0.436 nan 8.210 nan 0.000 0.417 121 K N 0.928 121.303 120.400 -0.041 0.000 2.622 121 K HA 0.314 4.634 4.320 -0.000 0.000 0.273 121 K C -1.562 174.966 176.600 -0.121 0.000 0.957 121 K CA -0.663 55.586 56.287 -0.064 0.000 0.861 121 K CB 2.031 34.514 32.500 -0.029 0.000 1.405 121 K HN 0.101 nan 8.250 nan 0.000 0.406 122 R N 1.109 121.513 120.500 -0.160 0.000 2.621 122 R HA 0.640 4.980 4.340 -0.000 0.000 0.292 122 R C -1.360 174.777 176.300 -0.272 0.000 0.969 122 R CA -0.911 55.048 56.100 -0.235 0.000 0.887 122 R CB 1.800 31.962 30.300 -0.231 0.000 1.180 122 R HN 0.110 nan 8.270 nan 0.000 0.450 123 V N 2.662 122.297 119.914 -0.465 0.000 2.407 123 V HA 0.718 4.838 4.120 -0.000 0.000 0.291 123 V C 0.534 176.381 176.094 -0.412 0.000 1.018 123 V CA 0.269 62.255 62.300 -0.524 0.000 0.842 123 V CB 0.832 32.163 31.823 -0.819 0.000 0.996 123 V HN 1.172 nan 8.190 nan 0.000 0.426 124 G N 3.730 112.399 108.800 -0.218 0.000 2.781 124 G HA2 0.259 4.219 3.960 -0.000 0.000 0.683 124 G HA3 0.259 4.219 3.960 -0.000 0.000 0.683 124 G C -0.002 174.829 174.900 -0.114 0.000 1.390 124 G CA -0.397 44.626 45.100 -0.129 0.000 0.850 124 G HN 1.348 nan 8.290 nan 0.000 0.557 125 G N 0.463 109.199 108.800 -0.107 0.000 2.410 125 G HA2 0.841 4.801 3.960 -0.000 0.000 0.330 125 G HA3 0.841 4.801 3.960 -0.000 0.000 0.330 125 G C -1.689 173.094 174.900 -0.196 0.000 1.142 125 G CA -0.543 44.470 45.100 -0.144 0.000 0.902 125 G HN 0.748 nan 8.290 nan 0.000 0.491 126 P HA 0.165 nan 4.420 nan 0.000 0.266 126 P C -2.322 174.857 177.300 -0.202 0.000 1.195 126 P CA -0.721 62.152 63.100 -0.379 0.000 0.768 126 P CB 0.374 31.743 31.700 -0.552 0.000 0.838 127 P HA 0.170 nan 4.420 nan 0.000 0.271 127 P C -0.305 176.643 177.300 -0.588 0.000 1.218 127 P CA 0.142 62.991 63.100 -0.419 0.000 0.780 127 P CB 0.995 32.376 31.700 -0.531 0.000 0.901 128 E N 1.647 121.476 120.200 -0.618 0.000 2.113 128 E HA 0.301 4.651 4.350 -0.000 0.000 0.273 128 E C -1.058 175.192 176.600 -0.584 0.000 0.924 128 E CA -0.577 55.558 56.400 -0.442 0.000 0.764 128 E CB 0.441 30.002 29.700 -0.233 0.000 1.104 128 E HN 0.296 nan 8.360 nan 0.000 0.406 129 F N 1.214 121.038 119.950 -0.210 0.000 2.420 129 F HA 0.085 4.612 4.527 -0.000 0.000 0.342 129 F C 1.528 177.119 175.800 -0.349 0.000 1.113 129 F CA -0.619 57.118 58.000 -0.438 0.000 1.059 129 F CB 1.752 40.313 39.000 -0.731 0.000 1.128 129 F HN 0.325 nan 8.300 nan 0.000 0.475 130 S N 2.852 118.531 115.700 -0.035 0.000 2.754 130 S HA 0.248 4.718 4.470 -0.000 0.000 0.223 130 S C -0.307 174.414 174.600 0.201 0.000 0.951 130 S CA -0.123 58.144 58.200 0.111 0.000 0.954 130 S CB -1.241 62.091 63.200 0.219 0.000 0.780 130 S HN 0.500 nan 8.310 nan 0.000 0.509 131 F N -3.109 116.920 119.950 0.131 0.000 2.807 131 F HA 0.712 5.239 4.527 -0.000 0.000 0.316 131 F C -3.607 172.201 175.800 0.013 0.000 1.162 131 F CA -2.579 55.454 58.000 0.055 0.000 0.910 131 F CB -0.058 38.961 39.000 0.032 0.000 1.314 131 F HN -0.294 nan 8.300 nan 0.000 0.454 132 P HA 0.269 nan 4.420 nan 0.000 0.270 132 P C -2.569 174.706 177.300 -0.042 0.000 1.242 132 P CA -0.716 62.377 63.100 -0.012 0.000 0.768 132 P CB 0.278 32.001 31.700 0.038 0.000 0.820 133 P HA 0.098 nan 4.420 nan 0.000 0.271 133 P C -0.510 176.669 177.300 -0.201 0.000 1.216 133 P CA 0.172 62.985 63.100 -0.478 0.000 0.771 133 P CB 0.841 32.014 31.700 -0.879 0.000 0.864 134 L N 2.625 123.775 121.223 -0.122 0.000 2.399 134 L HA 0.281 4.621 4.340 -0.000 0.000 0.266 134 L C 1.185 177.987 176.870 -0.113 0.000 1.114 134 L CA -0.877 53.906 54.840 -0.096 0.000 0.804 134 L CB 0.306 42.322 42.059 -0.072 0.000 1.146 134 L HN 0.413 nan 8.230 nan 0.000 0.451 135 D N -0.615 119.717 120.400 -0.113 0.000 2.371 135 D HA -0.053 4.587 4.640 -0.000 0.000 0.242 135 D C 1.191 177.419 176.300 -0.120 0.000 1.218 135 D CA -0.138 53.794 54.000 -0.114 0.000 0.945 135 D CB 0.325 41.040 40.800 -0.141 0.000 1.137 135 D HN 0.644 nan 8.370 nan 0.000 0.464 136 H N -0.295 118.695 119.070 -0.134 0.000 2.387 136 H HA -0.109 4.447 4.556 -0.000 0.000 0.299 136 H C 1.657 176.848 175.328 -0.229 0.000 1.090 136 H CA 1.380 57.338 56.048 -0.149 0.000 1.332 136 H CB -0.877 28.790 29.762 -0.159 0.000 1.386 136 H HN 0.231 nan 8.280 nan 0.000 0.516 137 V N 2.132 121.598 119.914 -0.747 0.000 2.287 137 V HA -0.271 3.848 4.120 -0.000 0.000 0.248 137 V C 3.276 179.167 176.094 -0.338 0.000 1.053 137 V CA 2.035 63.972 62.300 -0.605 0.000 1.027 137 V CB -1.255 30.297 31.823 -0.451 0.000 0.646 137 V HN 0.672 nan 8.190 nan 0.000 0.447 138 A N -0.360 122.323 122.820 -0.228 0.000 1.933 138 A HA -0.154 4.165 4.320 -0.000 0.000 0.218 138 A C 2.209 179.703 177.584 -0.151 0.000 1.175 138 A CA 1.829 53.779 52.037 -0.146 0.000 0.628 138 A CB -0.553 18.378 19.000 -0.115 0.000 0.814 138 A HN 0.517 nan 8.150 nan 0.000 0.444 139 L N -1.248 119.890 121.223 -0.141 0.000 2.083 139 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 139 L C 2.856 179.617 176.870 -0.182 0.000 1.083 139 L CA 1.503 56.271 54.840 -0.120 0.000 0.752 139 L CB -0.439 41.635 42.059 0.025 0.000 0.899 139 L HN 0.410 nan 8.230 nan 0.000 0.433 140 M N -1.013 118.495 119.600 -0.154 0.000 2.156 140 M HA -0.175 4.304 4.480 -0.000 0.000 0.264 140 M C 2.208 178.418 176.300 -0.151 0.000 1.067 140 M CA 1.390 56.603 55.300 -0.145 0.000 1.131 140 M CB -0.284 32.028 32.600 -0.480 0.000 1.368 140 M HN 0.086 nan 8.290 nan 0.000 0.416 141 E N 0.900 121.020 120.200 -0.134 0.000 2.058 141 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 141 E C 1.927 178.488 176.600 -0.064 0.000 0.997 141 E CA 1.484 57.903 56.400 0.032 0.000 0.801 141 E CB -0.012 29.717 29.700 0.049 0.000 0.746 141 E HN 0.244 nan 8.360 nan 0.000 0.450 142 K N -0.036 120.270 120.400 -0.156 0.000 2.026 142 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 142 K C 1.197 177.617 176.600 -0.300 0.000 1.048 142 K CA 1.440 57.608 56.287 -0.199 0.000 0.929 142 K CB -0.011 32.358 32.500 -0.218 0.000 0.713 142 K HN 0.135 nan 8.250 nan 0.000 0.439 143 N N -0.058 118.325 118.700 -0.529 0.000 2.322 143 N HA 0.003 4.743 4.740 -0.000 0.000 0.194 143 N C 0.200 175.339 175.510 -0.618 0.000 1.126 143 N CA 0.825 53.378 53.050 -0.830 0.000 0.845 143 N CB 0.855 38.202 38.487 -1.901 0.000 0.976 143 N HN 0.398 nan 8.380 nan 0.000 0.475 144 G N 0.952 109.592 108.800 -0.268 0.000 2.338 144 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.296 144 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.296 144 G C 0.119 175.121 174.900 0.170 0.000 1.040 144 G CA -0.135 44.959 45.100 -0.011 0.000 1.004 144 G HN 0.439 nan 8.290 nan 0.000 0.509 145 W N -0.745 120.632 121.300 0.129 0.000 3.239 145 W HA 0.471 5.131 4.660 -0.000 0.000 0.348 145 W C 0.632 177.299 176.519 0.246 0.000 1.183 145 W CA -0.564 56.858 57.345 0.127 0.000 1.819 145 W CB -0.462 29.028 29.460 0.050 0.000 1.091 145 W HN 0.668 nan 8.180 nan 0.000 0.629 146 W N 0.703 122.155 121.300 0.252 0.000 3.167 146 W HA 0.512 5.172 4.660 -0.000 0.000 0.324 146 W C -1.299 175.298 176.519 0.130 0.000 1.230 146 W CA -2.310 55.152 57.345 0.195 0.000 1.184 146 W CB 0.545 30.126 29.460 0.203 0.000 1.414 146 W HN -0.169 nan 8.180 nan 0.000 0.551 147 E N 3.827 124.147 120.200 0.200 0.000 2.042 147 E HA 0.425 4.775 4.350 -0.000 0.000 0.260 147 E C -1.909 174.541 176.600 -0.250 0.000 0.975 147 E CA -2.611 53.776 56.400 -0.022 0.000 0.799 147 E CB 1.398 31.118 29.700 0.034 0.000 1.131 147 E HN 0.073 nan 8.360 nan 0.000 0.423 148 P HA -0.108 nan 4.420 nan 0.000 0.220 148 P C 0.611 177.759 177.300 -0.253 0.000 1.148 148 P CA 0.930 63.732 63.100 -0.497 0.000 0.803 148 P CB 0.259 31.728 31.700 -0.386 0.000 0.782 149 R N -0.987 119.423 120.500 -0.150 0.000 2.241 149 R HA -0.085 4.254 4.340 -0.000 0.000 0.224 149 R C 2.042 178.299 176.300 -0.072 0.000 1.101 149 R CA 0.543 56.590 56.100 -0.088 0.000 0.995 149 R CB -1.055 29.213 30.300 -0.052 0.000 0.870 149 R HN 0.188 nan 8.270 nan 0.000 0.463 150 I N 0.967 121.488 120.570 -0.083 0.000 2.399 150 I HA -0.307 3.863 4.170 -0.000 0.000 0.254 150 I C 1.571 177.672 176.117 -0.026 0.000 1.146 150 I CA 1.497 62.769 61.300 -0.047 0.000 1.412 150 I CB -0.085 37.889 38.000 -0.043 0.000 1.076 150 I HN 0.020 nan 8.210 nan 0.000 0.432 151 S N -0.108 115.562 115.700 -0.051 0.000 2.400 151 S HA -0.268 4.202 4.470 -0.000 0.000 0.232 151 S C 1.822 176.420 174.600 -0.004 0.000 1.025 151 S CA 1.551 59.737 58.200 -0.023 0.000 0.993 151 S CB -0.340 62.829 63.200 -0.051 0.000 0.808 151 S HN 0.629 nan 8.310 nan 0.000 0.478 152 Q N 0.090 119.881 119.800 -0.015 0.000 2.245 152 Q HA 0.048 4.387 4.340 -0.000 0.000 0.201 152 Q C 2.138 178.139 176.000 0.001 0.000 0.955 152 Q CA 0.874 56.673 55.803 -0.006 0.000 0.870 152 Q CB -0.095 28.635 28.738 -0.013 0.000 0.945 152 Q HN 0.393 nan 8.270 nan 0.000 0.461 153 V N -0.567 119.348 119.914 0.001 0.000 2.379 153 V HA -0.076 4.044 4.120 -0.000 0.000 0.243 153 V C 1.426 177.530 176.094 0.016 0.000 1.035 153 V CA 1.567 63.870 62.300 0.005 0.000 1.035 153 V CB 0.173 31.997 31.823 0.002 0.000 0.673 153 V HN 0.124 nan 8.190 nan 0.000 0.457 154 S N -1.052 114.668 115.700 0.032 0.000 2.730 154 S HA 0.520 4.990 4.470 -0.000 0.000 0.244 154 S C 0.795 175.454 174.600 0.098 0.000 1.022 154 S CA 0.355 58.593 58.200 0.062 0.000 1.014 154 S CB 0.595 63.843 63.200 0.081 0.000 0.963 154 S HN 0.919 nan 8.310 nan 0.000 0.540 155 G N 2.635 111.482 108.800 0.078 0.000 2.749 155 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.242 155 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.242 155 G C 0.029 175.006 174.900 0.128 0.000 1.364 155 G CA -0.260 44.901 45.100 0.102 0.000 0.888 155 G HN 0.960 nan 8.290 nan 0.000 0.566 156 S N -0.448 115.335 115.700 0.139 0.000 2.608 156 S HA 0.565 5.035 4.470 -0.000 0.000 0.261 156 S C 1.038 175.747 174.600 0.183 0.000 1.314 156 S CA 0.742 59.016 58.200 0.123 0.000 0.992 156 S CB 0.906 64.161 63.200 0.091 0.000 0.935 156 S HN 1.762 nan 8.310 nan 0.000 0.564 157 R N -0.773 119.786 120.500 0.097 0.000 3.531 157 R HA -0.117 4.223 4.340 -0.000 0.000 0.280 157 R C -0.731 175.694 176.300 0.208 0.000 1.130 157 R CA 0.767 56.889 56.100 0.037 0.000 0.757 157 R CB -2.945 27.186 30.300 -0.282 0.000 1.218 157 R HN 0.599 nan 8.270 nan 0.000 0.454 158 S N 0.208 116.048 115.700 0.234 0.000 2.549 158 S HA 0.716 5.186 4.470 -0.000 0.000 0.297 158 S C -0.535 174.244 174.600 0.300 0.000 1.115 158 S CA -0.807 57.546 58.200 0.256 0.000 1.059 158 S CB 1.252 64.552 63.200 0.167 0.000 1.046 158 S HN 0.344 nan 8.310 nan 0.000 0.506 159 Y N -0.848 119.540 120.300 0.147 0.000 2.545 159 Y HA 0.881 5.431 4.550 -0.000 0.000 0.348 159 Y C -0.910 175.091 175.900 0.169 0.000 1.002 159 Y CA -1.811 56.403 58.100 0.190 0.000 1.039 159 Y CB 0.918 39.550 38.460 0.286 0.000 1.271 159 Y HN 0.711 nan 8.280 nan 0.000 0.467 160 A N 3.278 126.157 122.820 0.097 0.000 2.408 160 A HA 0.719 5.038 4.320 -0.000 0.000 0.295 160 A C -2.223 175.495 177.584 0.223 0.000 1.040 160 A CA -0.586 51.456 52.037 0.009 0.000 0.707 160 A CB 1.174 20.175 19.000 0.002 0.000 1.235 160 A HN 0.657 nan 8.150 nan 0.000 0.418 161 L N 1.424 122.775 121.223 0.214 0.000 2.334 161 L HA 0.673 5.013 4.340 -0.000 0.000 0.272 161 L C 0.111 177.105 176.870 0.207 0.000 1.020 161 L CA 0.028 55.042 54.840 0.290 0.000 0.812 161 L CB 1.687 43.922 42.059 0.293 0.000 1.264 161 L HN 0.769 nan 8.230 nan 0.000 0.439 162 K N 0.556 121.096 120.400 0.234 0.000 2.426 162 K HA 0.718 5.037 4.320 -0.000 0.000 0.251 162 K C 0.051 176.767 176.600 0.192 0.000 0.941 162 K CA -0.252 56.155 56.287 0.200 0.000 0.808 162 K CB 1.953 34.593 32.500 0.234 0.000 1.265 162 K HN 0.742 nan 8.250 nan 0.000 0.432 163 G N 2.109 110.995 108.800 0.145 0.000 2.556 163 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.283 163 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.283 163 G C 0.381 175.308 174.900 0.045 0.000 1.177 163 G CA 0.576 45.757 45.100 0.134 0.000 0.978 163 G HN 0.705 nan 8.290 nan 0.000 0.554 164 D N -0.134 120.265 120.400 -0.002 0.000 2.218 164 D HA 0.039 4.678 4.640 -0.000 0.000 0.204 164 D C 2.493 178.607 176.300 -0.310 0.000 0.976 164 D CA 1.180 55.090 54.000 -0.151 0.000 0.853 164 D CB -0.071 40.636 40.800 -0.155 0.000 0.939 164 D HN 0.272 nan 8.370 nan 0.000 0.481 165 L N 0.270 121.218 121.223 -0.459 0.000 2.179 165 L HA 0.081 4.420 4.340 -0.000 0.000 0.208 165 L C 2.060 178.913 176.870 -0.030 0.000 1.096 165 L CA 1.062 55.704 54.840 -0.330 0.000 0.779 165 L CB -0.564 41.244 42.059 -0.418 0.000 0.922 165 L HN -0.052 nan 8.230 nan 0.000 0.443 166 A N -0.633 122.197 122.820 0.017 0.000 1.865 166 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 166 A C 2.093 179.705 177.584 0.047 0.000 1.191 166 A CA 1.927 54.003 52.037 0.065 0.000 0.623 166 A CB -0.923 18.120 19.000 0.072 0.000 0.826 166 A HN 0.349 nan 8.150 nan 0.000 0.444 167 L N -1.767 119.477 121.223 0.034 0.000 2.079 167 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 167 L C 2.381 179.309 176.870 0.097 0.000 1.081 167 L CA 1.743 56.609 54.840 0.044 0.000 0.752 167 L CB -1.391 40.683 42.059 0.025 0.000 0.896 167 L HN 0.590 nan 8.230 nan 0.000 0.433 168 Y N 0.608 120.853 120.300 -0.093 0.000 2.200 168 Y HA -0.243 4.307 4.550 -0.000 0.000 0.290 168 Y C 2.647 178.501 175.900 -0.077 0.000 1.137 168 Y CA 1.773 59.811 58.100 -0.104 0.000 1.163 168 Y CB -0.275 38.079 38.460 -0.176 0.000 0.988 168 Y HN 0.401 nan 8.280 nan 0.000 0.518 169 E N -0.112 120.106 120.200 0.030 0.000 2.049 169 E HA -0.236 4.114 4.350 -0.000 0.000 0.198 169 E C 2.149 178.699 176.600 -0.084 0.000 1.007 169 E CA 2.063 58.434 56.400 -0.048 0.000 0.809 169 E CB -0.399 29.326 29.700 0.043 0.000 0.749 169 E HN 0.548 nan 8.360 nan 0.000 0.450 170 L N 0.248 121.438 121.223 -0.055 0.000 2.046 170 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 170 L C 2.745 179.594 176.870 -0.036 0.000 1.077 170 L CA 0.981 55.775 54.840 -0.077 0.000 0.747 170 L CB -0.626 41.404 42.059 -0.048 0.000 0.896 170 L HN 0.239 nan 8.230 nan 0.000 0.432 171 A N 0.343 123.178 122.820 0.024 0.000 1.908 171 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 171 A C 2.282 179.841 177.584 -0.041 0.000 1.181 171 A CA 1.584 53.671 52.037 0.083 0.000 0.627 171 A CB -0.717 18.386 19.000 0.173 0.000 0.818 171 A HN 0.362 nan 8.150 nan 0.000 0.445 172 L N -0.750 120.384 121.223 -0.149 0.000 2.093 172 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 172 L C 2.517 179.359 176.870 -0.046 0.000 1.085 172 L CA 0.823 55.570 54.840 -0.154 0.000 0.755 172 L CB -0.399 41.490 42.059 -0.283 0.000 0.904 172 L HN 0.378 nan 8.230 nan 0.000 0.435 173 L N -0.692 120.479 121.223 -0.087 0.000 2.046 173 L HA -0.215 4.124 4.340 -0.000 0.000 0.208 173 L C 2.795 179.598 176.870 -0.111 0.000 1.077 173 L CA 0.971 55.748 54.840 -0.105 0.000 0.747 173 L CB -0.393 41.549 42.059 -0.194 0.000 0.896 173 L HN 0.225 nan 8.230 nan 0.000 0.432 174 R N 0.210 120.669 120.500 -0.067 0.000 2.073 174 R HA -0.184 4.156 4.340 -0.000 0.000 0.229 174 R C 2.197 178.508 176.300 0.019 0.000 1.120 174 R CA 1.353 57.460 56.100 0.011 0.000 0.967 174 R CB -0.837 29.537 30.300 0.123 0.000 0.862 174 R HN 0.230 nan 8.270 nan 0.000 0.436 175 F N 0.867 120.614 119.950 -0.338 0.000 2.065 175 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 175 F C 1.917 177.604 175.800 -0.187 0.000 1.112 175 F CA 2.051 59.706 58.000 -0.575 0.000 1.212 175 F CB -0.935 37.554 39.000 -0.852 0.000 0.975 175 F HN 0.109 nan 8.300 nan 0.000 0.476 176 A N 0.791 123.349 122.820 -0.436 0.000 1.902 176 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 176 A C 2.260 179.732 177.584 -0.188 0.000 1.181 176 A CA 1.982 53.773 52.037 -0.410 0.000 0.623 176 A CB -0.754 18.142 19.000 -0.174 0.000 0.818 176 A HN 0.488 nan 8.150 nan 0.000 0.443 177 M N -0.143 119.399 119.600 -0.097 0.000 2.117 177 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 177 M C 1.396 177.691 176.300 -0.008 0.000 1.065 177 M CA 1.483 56.769 55.300 -0.022 0.000 1.114 177 M CB -1.405 31.191 32.600 -0.008 0.000 1.361 177 M HN 0.347 nan 8.290 nan 0.000 0.408 178 D N -0.291 120.106 120.400 -0.005 0.000 2.144 178 D HA -0.124 4.516 4.640 -0.000 0.000 0.200 178 D C 1.764 178.060 176.300 -0.007 0.000 0.978 178 D CA 0.868 54.892 54.000 0.040 0.000 0.833 178 D CB -0.425 40.473 40.800 0.164 0.000 0.961 178 D HN 0.276 nan 8.370 nan 0.000 0.470 179 F N 1.120 120.905 119.950 -0.276 0.000 2.075 179 F HA -0.225 4.302 4.527 -0.000 0.000 0.297 179 F C 2.163 177.853 175.800 -0.183 0.000 1.113 179 F CA 1.235 59.056 58.000 -0.298 0.000 1.218 179 F CB -0.124 38.523 39.000 -0.588 0.000 0.984 179 F HN -0.204 nan 8.300 nan 0.000 0.472 180 M N 0.896 120.464 119.600 -0.052 0.000 2.073 180 M HA -0.208 4.272 4.480 -0.000 0.000 0.258 180 M C 2.581 178.863 176.300 -0.030 0.000 1.070 180 M CA 1.893 57.133 55.300 -0.100 0.000 1.103 180 M CB -2.199 30.370 32.600 -0.053 0.000 1.321 180 M HN 0.333 nan 8.290 nan 0.000 0.405 181 A N -0.387 122.434 122.820 0.002 0.000 1.908 181 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 181 A C 2.298 179.869 177.584 -0.023 0.000 1.181 181 A CA 1.924 53.977 52.037 0.027 0.000 0.627 181 A CB -0.589 18.430 19.000 0.031 0.000 0.818 181 A HN 0.388 nan 8.150 nan 0.000 0.445 182 R N -0.800 119.642 120.500 -0.098 0.000 2.189 182 R HA 0.081 4.420 4.340 -0.000 0.000 0.223 182 R C 1.525 177.724 176.300 -0.168 0.000 1.092 182 R CA 0.679 56.701 56.100 -0.130 0.000 0.989 182 R CB -0.101 30.108 30.300 -0.153 0.000 0.876 182 R HN 0.288 nan 8.270 nan 0.000 0.457 183 R N -0.550 119.826 120.500 -0.206 0.000 2.356 183 R HA 0.210 4.550 4.340 -0.000 0.000 0.234 183 R C 0.522 176.878 176.300 0.094 0.000 0.929 183 R CA 0.646 56.665 56.100 -0.135 0.000 1.084 183 R CB 0.372 30.502 30.300 -0.284 0.000 1.105 183 R HN 0.401 nan 8.270 nan 0.000 0.515 184 G N 0.725 109.564 108.800 0.065 0.000 2.179 184 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 184 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 184 G C -0.000 174.920 174.900 0.035 0.000 0.977 184 G CA -0.179 44.940 45.100 0.031 0.000 0.641 184 G HN 0.233 nan 8.290 nan 0.000 0.533 185 F N -0.227 119.701 119.950 -0.035 0.000 2.389 185 F HA 0.619 5.145 4.527 -0.000 0.000 0.337 185 F C 0.828 176.663 175.800 0.058 0.000 1.112 185 F CA -0.920 57.090 58.000 0.017 0.000 1.192 185 F CB 1.220 40.239 39.000 0.032 0.000 1.185 185 F HN 0.068 nan 8.300 nan 0.000 0.552 186 L N 6.788 128.162 121.223 0.252 0.000 2.278 186 L HA 0.384 4.724 4.340 -0.000 0.000 0.287 186 L C -2.200 174.815 176.870 0.243 0.000 1.072 186 L CA -1.671 53.310 54.840 0.237 0.000 0.819 186 L CB 0.421 42.662 42.059 0.304 0.000 1.176 186 L HN 0.296 nan 8.230 nan 0.000 0.435 187 P HA 0.240 nan 4.420 nan 0.000 0.281 187 P C -1.205 176.139 177.300 0.074 0.000 1.252 187 P CA -0.169 63.003 63.100 0.120 0.000 0.778 187 P CB 1.168 32.922 31.700 0.090 0.000 0.895 188 M N 1.815 121.452 119.600 0.061 0.000 2.501 188 M HA 0.382 4.862 4.480 -0.000 0.000 0.293 188 M C -0.177 176.160 176.300 0.062 0.000 1.192 188 M CA -0.484 54.823 55.300 0.012 0.000 0.886 188 M CB 2.979 35.527 32.600 -0.088 0.000 1.710 188 M HN 0.259 nan 8.290 nan 0.000 0.457 189 T N 1.013 115.602 114.554 0.059 0.000 2.792 189 T HA 0.838 5.187 4.350 -0.000 0.000 0.280 189 T C -0.749 173.957 174.700 0.011 0.000 0.990 189 T CA -0.714 61.460 62.100 0.123 0.000 0.960 189 T CB 0.963 69.950 68.868 0.198 0.000 0.939 189 T HN 0.566 nan 8.240 nan 0.000 0.439 190 L N 2.780 123.969 121.223 -0.057 0.000 2.283 190 L HA 0.671 5.011 4.340 -0.000 0.000 0.259 190 L C -2.168 174.612 176.870 -0.151 0.000 1.027 190 L CA -2.788 51.973 54.840 -0.132 0.000 0.828 190 L CB 1.746 43.697 42.059 -0.180 0.000 1.380 190 L HN 0.451 nan 8.230 nan 0.000 0.425 191 P HA 0.208 nan 4.420 nan 0.000 0.274 191 P C -0.496 176.655 177.300 -0.247 0.000 1.260 191 P CA -0.338 62.590 63.100 -0.287 0.000 0.793 191 P CB 0.567 31.871 31.700 -0.660 0.000 1.048 192 S N -1.433 114.176 115.700 -0.152 0.000 2.855 192 S HA 0.270 4.740 4.470 -0.000 0.000 0.249 192 S C -0.795 173.873 174.600 0.113 0.000 1.033 192 S CA -0.330 57.883 58.200 0.021 0.000 1.038 192 S CB -0.615 62.725 63.200 0.232 0.000 0.960 192 S HN 0.513 nan 8.310 nan 0.000 0.548 193 Y N -1.066 119.253 120.300 0.031 0.000 2.544 193 Y HA 0.901 5.451 4.550 -0.000 0.000 0.342 193 Y C -0.828 175.124 175.900 0.087 0.000 1.062 193 Y CA -1.669 56.480 58.100 0.080 0.000 1.023 193 Y CB 0.658 39.127 38.460 0.016 0.000 1.308 193 Y HN 0.018 nan 8.280 nan 0.000 0.457 194 A N 2.873 125.868 122.820 0.291 0.000 2.612 194 A HA 0.738 5.058 4.320 -0.000 0.000 0.293 194 A C -1.228 176.628 177.584 0.453 0.000 1.075 194 A CA -1.378 50.775 52.037 0.193 0.000 0.680 194 A CB 1.579 20.533 19.000 -0.077 0.000 1.279 194 A HN 0.831 nan 8.150 nan 0.000 0.411 195 R N 0.471 121.154 120.500 0.304 0.000 2.641 195 R HA 0.154 4.494 4.340 -0.000 0.000 0.269 195 R C 1.060 177.640 176.300 0.466 0.000 1.074 195 R CA 0.012 56.325 56.100 0.355 0.000 1.133 195 R CB 0.611 31.036 30.300 0.209 0.000 1.029 195 R HN 0.997 nan 8.270 nan 0.000 0.488 196 E N 1.792 122.300 120.200 0.513 0.000 2.136 196 E HA -0.338 4.011 4.350 -0.000 0.000 0.202 196 E C 1.535 178.284 176.600 0.248 0.000 1.019 196 E CA 1.557 58.188 56.400 0.385 0.000 0.819 196 E CB 0.158 30.096 29.700 0.397 0.000 0.739 196 E HN 0.304 nan 8.360 nan 0.000 0.458 197 K N 0.179 120.690 120.400 0.186 0.000 2.113 197 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 197 K C 1.888 178.514 176.600 0.044 0.000 1.047 197 K CA 1.367 57.716 56.287 0.104 0.000 0.928 197 K CB -0.407 32.143 32.500 0.082 0.000 0.716 197 K HN 0.240 nan 8.250 nan 0.000 0.446 198 A N -0.306 122.516 122.820 0.003 0.000 1.969 198 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 198 A C 2.049 179.466 177.584 -0.277 0.000 1.169 198 A CA 1.047 52.988 52.037 -0.161 0.000 0.635 198 A CB -0.546 18.292 19.000 -0.269 0.000 0.810 198 A HN 0.270 nan 8.150 nan 0.000 0.445 199 F N -0.258 119.535 119.950 -0.261 0.000 2.187 199 F HA 0.018 4.545 4.527 -0.000 0.000 0.295 199 F C 2.043 177.698 175.800 -0.243 0.000 1.091 199 F CA 1.001 58.718 58.000 -0.472 0.000 1.308 199 F CB -0.424 37.696 39.000 -1.466 0.000 1.030 199 F HN 0.072 nan 8.300 nan 0.000 0.487 200 L N -0.224 121.027 121.223 0.047 0.000 2.042 200 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 200 L C 2.808 179.691 176.870 0.022 0.000 1.076 200 L CA 1.487 56.383 54.840 0.092 0.000 0.749 200 L CB -1.490 40.626 42.059 0.096 0.000 0.893 200 L HN 0.264 nan 8.230 nan 0.000 0.432 201 G N -0.221 108.582 108.800 0.006 0.000 2.469 201 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.219 201 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.219 201 G C 1.629 176.549 174.900 0.033 0.000 1.150 201 G CA 1.605 46.705 45.100 -0.001 0.000 0.763 201 G HN 0.480 nan 8.290 nan 0.000 0.561 202 T N -2.597 112.002 114.554 0.076 0.000 3.043 202 T HA 0.368 4.717 4.350 -0.000 0.000 0.263 202 T C 1.974 176.808 174.700 0.222 0.000 1.094 202 T CA 1.040 63.234 62.100 0.158 0.000 1.127 202 T CB 0.130 69.123 68.868 0.209 0.000 0.905 202 T HN 1.449 nan 8.240 nan 0.000 0.490 203 G N 0.669 109.586 108.800 0.196 0.000 2.176 203 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.232 203 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.232 203 G C 0.503 175.547 174.900 0.239 0.000 0.986 203 G CA 0.411 45.715 45.100 0.339 0.000 0.643 203 G HN 0.627 nan 8.290 nan 0.000 0.522 204 H N -0.853 118.443 119.070 0.378 0.000 2.387 204 H HA 0.232 4.788 4.556 -0.000 0.000 0.299 204 H C 0.725 176.409 175.328 0.593 0.000 1.090 204 H CA 1.696 58.045 56.048 0.501 0.000 1.332 204 H CB 0.043 30.040 29.762 0.391 0.000 1.386 204 H HN 0.350 nan 8.280 nan 0.000 0.516 205 F N 0.507 120.620 119.950 0.272 0.000 2.443 205 F HA 0.249 4.775 4.527 -0.000 0.000 0.335 205 F C -1.526 174.309 175.800 0.058 0.000 1.104 205 F CA -3.755 54.310 58.000 0.108 0.000 1.013 205 F CB 1.572 40.603 39.000 0.052 0.000 1.136 205 F HN -0.042 nan 8.300 nan 0.000 0.470 206 P HA 0.091 nan 4.420 nan 0.000 0.252 206 P C 0.972 178.271 177.300 -0.002 0.000 1.218 206 P CA 0.613 63.756 63.100 0.072 0.000 0.807 206 P CB 0.407 32.110 31.700 0.005 0.000 1.072 207 A N -0.073 122.699 122.820 -0.079 0.000 1.933 207 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 207 A C 1.033 178.408 177.584 -0.348 0.000 1.175 207 A CA 1.358 53.174 52.037 -0.368 0.000 0.628 207 A CB -1.377 17.161 19.000 -0.771 0.000 0.814 207 A HN 0.181 nan 8.150 nan 0.000 0.444 208 Y N -1.465 118.964 120.300 0.214 0.000 2.720 208 Y HA 0.349 4.898 4.550 -0.000 0.000 0.268 208 Y C 1.498 177.544 175.900 0.243 0.000 1.142 208 Y CA -0.797 57.437 58.100 0.224 0.000 1.193 208 Y CB -0.351 38.285 38.460 0.293 0.000 1.176 208 Y HN 0.297 nan 8.280 nan 0.000 0.542 209 R N 1.456 122.077 120.500 0.201 0.000 2.127 209 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 209 R C 1.685 178.007 176.300 0.036 0.000 1.134 209 R CA 2.139 58.189 56.100 -0.083 0.000 0.975 209 R CB -0.103 29.860 30.300 -0.560 0.000 0.865 209 R HN 0.538 nan 8.270 nan 0.000 0.447 210 D N 0.062 120.514 120.400 0.086 0.000 2.158 210 D HA -0.247 4.393 4.640 -0.000 0.000 0.197 210 D C 0.916 177.296 176.300 0.134 0.000 0.995 210 D CA 1.293 55.355 54.000 0.104 0.000 0.846 210 D CB -0.450 40.412 40.800 0.104 0.000 0.941 210 D HN 0.419 nan 8.370 nan 0.000 0.456 211 Q N 0.056 119.962 119.800 0.176 0.000 2.373 211 Q HA 0.196 4.535 4.340 -0.000 0.000 0.206 211 Q C -0.409 175.661 176.000 0.117 0.000 0.942 211 Q CA -0.036 55.851 55.803 0.139 0.000 0.953 211 Q CB 0.926 29.760 28.738 0.159 0.000 1.022 211 Q HN 0.138 nan 8.270 nan 0.000 0.502 212 V N 0.569 120.576 119.914 0.154 0.000 2.577 212 V HA 0.244 4.364 4.120 -0.000 0.000 0.303 212 V C -0.892 175.371 176.094 0.282 0.000 1.042 212 V CA -0.941 61.478 62.300 0.198 0.000 0.872 212 V CB 1.620 33.598 31.823 0.257 0.000 0.998 212 V HN 0.241 nan 8.190 nan 0.000 0.423 213 W N 2.974 124.372 121.300 0.163 0.000 2.315 213 W HA 0.726 5.385 4.660 -0.000 0.000 0.316 213 W C 0.347 176.910 176.519 0.073 0.000 1.211 213 W CA -0.921 56.479 57.345 0.091 0.000 1.201 213 W CB 1.450 30.929 29.460 0.031 0.000 1.184 213 W HN 0.642 nan 8.180 nan 0.000 0.544 214 A N 4.849 127.801 122.820 0.220 0.000 2.324 214 A HA 0.710 5.030 4.320 -0.000 0.000 0.330 214 A C -0.651 176.834 177.584 -0.166 0.000 1.165 214 A CA -0.779 51.220 52.037 -0.063 0.000 0.813 214 A CB 0.598 19.539 19.000 -0.098 0.000 1.197 214 A HN 0.522 nan 8.150 nan 0.000 0.484 215 I N 2.637 123.056 120.570 -0.252 0.000 2.322 215 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 215 I C 1.085 177.067 176.117 -0.225 0.000 1.060 215 I CA -0.032 61.124 61.300 -0.240 0.000 1.309 215 I CB 0.978 38.830 38.000 -0.247 0.000 1.415 215 I HN 0.748 nan 8.210 nan 0.000 0.492 216 A N 5.827 128.531 122.820 -0.193 0.000 2.561 216 A HA 0.049 4.369 4.320 -0.000 0.000 0.234 216 A C 0.805 178.306 177.584 -0.138 0.000 1.055 216 A CA 0.170 52.115 52.037 -0.154 0.000 0.756 216 A CB -0.160 18.758 19.000 -0.137 0.000 0.986 216 A HN 0.885 nan 8.150 nan 0.000 0.505 217 E N -0.219 119.913 120.200 -0.114 0.000 2.287 217 E HA -0.160 4.190 4.350 -0.000 0.000 0.229 217 E C -0.146 176.395 176.600 -0.099 0.000 1.194 217 E CA 1.076 57.421 56.400 -0.092 0.000 0.704 217 E CB -1.771 27.881 29.700 -0.080 0.000 1.216 217 E HN 0.786 nan 8.360 nan 0.000 0.381 218 T N -0.524 113.962 114.554 -0.113 0.000 2.770 218 T HA 0.144 4.493 4.350 -0.000 0.000 0.323 218 T C -0.987 173.633 174.700 -0.133 0.000 1.683 218 T CA -0.330 61.697 62.100 -0.121 0.000 1.024 218 T CB 1.135 69.908 68.868 -0.159 0.000 1.557 218 T HN 0.226 nan 8.240 nan 0.000 0.494 219 D N 1.280 121.624 120.400 -0.092 0.000 2.427 219 D HA 0.252 4.892 4.640 -0.000 0.000 0.224 219 D C 0.182 176.437 176.300 -0.076 0.000 1.157 219 D CA -0.020 53.948 54.000 -0.052 0.000 0.828 219 D CB -0.182 40.642 40.800 0.039 0.000 0.974 219 D HN 0.300 nan 8.370 nan 0.000 0.498 220 L N -0.016 121.074 121.223 -0.221 0.000 2.333 220 L HA 0.550 4.890 4.340 -0.000 0.000 0.269 220 L C -0.983 175.599 176.870 -0.480 0.000 1.010 220 L CA -1.210 53.559 54.840 -0.118 0.000 0.818 220 L CB 1.494 43.563 42.059 0.017 0.000 1.306 220 L HN -0.148 nan 8.230 nan 0.000 0.430 221 Y N 0.801 121.191 120.300 0.151 0.000 2.576 221 Y HA 0.567 5.116 4.550 -0.000 0.000 0.346 221 Y C -0.385 175.649 175.900 0.224 0.000 1.018 221 Y CA -0.821 57.318 58.100 0.065 0.000 1.050 221 Y CB 1.731 40.011 38.460 -0.299 0.000 1.280 221 Y HN 0.273 nan 8.280 nan 0.000 0.474 222 L N 1.984 123.387 121.223 0.300 0.000 2.350 222 L HA 0.499 4.839 4.340 -0.000 0.000 0.275 222 L C 0.285 177.412 176.870 0.427 0.000 1.099 222 L CA -0.664 54.331 54.840 0.259 0.000 0.808 222 L CB 1.087 43.146 42.059 0.001 0.000 1.149 222 L HN 0.734 nan 8.230 nan 0.000 0.442 223 T N -1.437 113.330 114.554 0.356 0.000 2.882 223 T HA 0.353 4.703 4.350 -0.000 0.000 0.287 223 T C 0.962 175.754 174.700 0.153 0.000 0.992 223 T CA -0.367 61.881 62.100 0.247 0.000 1.076 223 T CB 1.696 70.559 68.868 -0.008 0.000 0.961 223 T HN 0.709 nan 8.240 nan 0.000 0.490 224 G N 0.366 109.212 108.800 0.077 0.000 3.042 224 G HA2 0.386 4.346 3.960 -0.000 0.000 0.212 224 G HA3 0.386 4.346 3.960 -0.000 0.000 0.212 224 G C 0.340 175.230 174.900 -0.017 0.000 1.166 224 G CA 0.256 45.383 45.100 0.045 0.000 0.767 224 G HN 1.036 nan 8.290 nan 0.000 0.546 225 T N -2.272 112.228 114.554 -0.090 0.000 3.087 225 T HA 0.457 4.807 4.350 -0.000 0.000 0.351 225 T C 0.995 175.618 174.700 -0.128 0.000 1.520 225 T CA 0.454 62.506 62.100 -0.079 0.000 1.111 225 T CB 0.975 69.841 68.868 -0.004 0.000 1.353 225 T HN 0.259 nan 8.240 nan 0.000 0.481 226 A N 2.272 125.021 122.820 -0.119 0.000 2.076 226 A HA -0.034 4.286 4.320 -0.000 0.000 0.220 226 A C 1.899 179.399 177.584 -0.139 0.000 1.160 226 A CA 2.318 54.270 52.037 -0.141 0.000 0.653 226 A CB -0.859 18.072 19.000 -0.115 0.000 0.801 226 A HN 0.987 nan 8.150 nan 0.000 0.455 227 E N 0.113 120.273 120.200 -0.065 0.000 2.097 227 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 227 E C 1.635 178.158 176.600 -0.128 0.000 1.000 227 E CA 1.836 58.218 56.400 -0.031 0.000 0.804 227 E CB -0.408 29.382 29.700 0.149 0.000 0.740 227 E HN 0.284 nan 8.360 nan 0.000 0.454 228 V N 0.638 120.441 119.914 -0.185 0.000 2.332 228 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 228 V C 2.432 178.319 176.094 -0.346 0.000 1.055 228 V CA 1.686 63.784 62.300 -0.337 0.000 1.038 228 V CB -0.262 31.162 31.823 -0.664 0.000 0.651 228 V HN 0.278 nan 8.190 nan 0.000 0.450 229 V N -1.062 118.660 119.914 -0.320 0.000 2.346 229 V HA -0.136 3.984 4.120 -0.000 0.000 0.244 229 V C 2.308 178.221 176.094 -0.302 0.000 1.037 229 V CA 1.236 63.357 62.300 -0.297 0.000 1.029 229 V CB -0.399 31.254 31.823 -0.284 0.000 0.663 229 V HN 0.366 nan 8.190 nan 0.000 0.454 230 L N 0.743 121.757 121.223 -0.348 0.000 2.043 230 L HA -0.210 4.129 4.340 -0.000 0.000 0.212 230 L C 2.273 178.810 176.870 -0.556 0.000 1.075 230 L CA 1.958 56.510 54.840 -0.481 0.000 0.752 230 L CB -1.278 40.440 42.059 -0.569 0.000 0.891 230 L HN 0.418 nan 8.230 nan 0.000 0.432 231 N N -0.777 117.627 118.700 -0.493 0.000 2.331 231 N HA -0.100 4.640 4.740 -0.000 0.000 0.180 231 N C 1.495 176.981 175.510 -0.041 0.000 1.019 231 N CA 1.016 53.960 53.050 -0.177 0.000 0.881 231 N CB 0.318 38.810 38.487 0.010 0.000 0.972 231 N HN 0.354 nan 8.380 nan 0.000 0.435 232 A N 0.666 123.419 122.820 -0.112 0.000 2.218 232 A HA 0.163 4.483 4.320 -0.000 0.000 0.209 232 A C 2.171 179.702 177.584 -0.090 0.000 1.168 232 A CA -0.186 51.805 52.037 -0.076 0.000 0.804 232 A CB -0.129 18.804 19.000 -0.112 0.000 0.834 232 A HN 0.216 nan 8.150 nan 0.000 0.482 233 L N -0.775 120.353 121.223 -0.159 0.000 1.971 233 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 233 L C 1.636 178.370 176.870 -0.227 0.000 1.072 233 L CA 1.186 55.864 54.840 -0.270 0.000 0.758 233 L CB -0.580 41.190 42.059 -0.481 0.000 0.889 233 L HN 0.495 nan 8.230 nan 0.000 0.433 234 H N -1.060 118.047 119.070 0.061 0.000 2.537 234 H HA 0.142 4.698 4.556 -0.000 0.000 0.295 234 H C 0.673 176.047 175.328 0.076 0.000 1.054 234 H CA -0.076 56.020 56.048 0.081 0.000 1.156 234 H CB 0.246 30.082 29.762 0.123 0.000 1.468 234 H HN 0.101 nan 8.280 nan 0.000 0.551 235 S N 0.247 116.028 115.700 0.136 0.000 2.466 235 S HA 0.274 4.744 4.470 -0.000 0.000 0.286 235 S C 1.431 176.085 174.600 0.090 0.000 1.221 235 S CA 0.704 58.967 58.200 0.106 0.000 1.091 235 S CB -0.205 63.031 63.200 0.061 0.000 0.956 235 S HN 0.773 nan 8.310 nan 0.000 0.501 236 G N 3.654 112.511 108.800 0.095 0.000 2.176 236 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.232 236 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.232 236 G C -0.185 174.751 174.900 0.059 0.000 0.986 236 G CA 0.076 45.216 45.100 0.068 0.000 0.643 236 G HN 0.670 nan 8.290 nan 0.000 0.522 237 E N 0.124 120.374 120.200 0.083 0.000 2.283 237 E HA 0.573 4.923 4.350 -0.000 0.000 0.271 237 E C 0.129 176.756 176.600 0.046 0.000 1.031 237 E CA -0.838 55.605 56.400 0.072 0.000 0.868 237 E CB 1.149 30.920 29.700 0.117 0.000 1.094 237 E HN 0.149 nan 8.360 nan 0.000 0.401 238 I N 3.569 124.153 120.570 0.023 0.000 2.330 238 I HA 0.191 4.361 4.170 -0.000 0.000 0.286 238 I C -0.150 175.981 176.117 0.024 0.000 1.025 238 I CA -0.355 60.948 61.300 0.005 0.000 1.197 238 I CB 0.014 37.999 38.000 -0.024 0.000 1.358 238 I HN 0.373 nan 8.210 nan 0.000 0.467 239 L N 8.414 129.663 121.223 0.042 0.000 2.426 239 L HA 0.266 4.606 4.340 -0.000 0.000 0.271 239 L C -1.883 175.030 176.870 0.071 0.000 1.169 239 L CA -1.449 53.403 54.840 0.021 0.000 0.836 239 L CB 0.066 42.106 42.059 -0.031 0.000 1.112 239 L HN 0.336 nan 8.230 nan 0.000 0.465 240 P HA -0.039 nan 4.420 nan 0.000 0.275 240 P C 0.098 177.455 177.300 0.095 0.000 1.227 240 P CA -0.265 62.883 63.100 0.080 0.000 0.781 240 P CB 0.606 32.332 31.700 0.043 0.000 0.906 241 Y N 2.881 123.222 120.300 0.068 0.000 2.181 241 Y HA -0.271 4.279 4.550 -0.000 0.000 0.284 241 Y C 2.198 178.091 175.900 -0.011 0.000 1.179 241 Y CA 2.400 60.541 58.100 0.070 0.000 1.179 241 Y CB -0.236 38.269 38.460 0.075 0.000 0.973 241 Y HN 0.407 nan 8.280 nan 0.000 0.519 242 E N 0.263 120.450 120.200 -0.022 0.000 2.427 242 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 242 E C 1.793 178.303 176.600 -0.149 0.000 1.028 242 E CA 0.983 57.330 56.400 -0.089 0.000 0.864 242 E CB -0.519 29.188 29.700 0.012 0.000 0.813 242 E HN 0.478 nan 8.360 nan 0.000 0.514 243 A N 0.722 123.452 122.820 -0.149 0.000 2.209 243 A HA 0.136 4.456 4.320 -0.000 0.000 0.212 243 A C 0.881 178.324 177.584 -0.234 0.000 1.158 243 A CA 0.102 52.044 52.037 -0.158 0.000 0.742 243 A CB -0.115 18.804 19.000 -0.136 0.000 0.790 243 A HN 0.200 nan 8.150 nan 0.000 0.472 244 L N 0.579 121.609 121.223 -0.321 0.000 2.309 244 L HA 0.503 4.842 4.340 -0.000 0.000 0.282 244 L C -2.340 174.310 176.870 -0.367 0.000 1.036 244 L CA -2.015 52.590 54.840 -0.392 0.000 0.806 244 L CB 1.260 42.991 42.059 -0.547 0.000 1.220 244 L HN -0.011 nan 8.230 nan 0.000 0.429 245 P HA 0.296 nan 4.420 nan 0.000 0.279 245 P C -0.987 176.095 177.300 -0.362 0.000 1.239 245 P CA -0.428 62.470 63.100 -0.336 0.000 0.789 245 P CB 0.475 31.996 31.700 -0.299 0.000 0.933 246 L N 3.698 124.688 121.223 -0.388 0.000 2.369 246 L HA 0.268 4.608 4.340 -0.000 0.000 0.279 246 L C 0.946 177.467 176.870 -0.583 0.000 1.108 246 L CA 0.056 54.587 54.840 -0.515 0.000 0.852 246 L CB -0.027 41.681 42.059 -0.584 0.000 1.169 246 L HN 0.231 nan 8.230 nan 0.000 0.452 247 R N 3.621 123.731 120.500 -0.649 0.000 2.275 247 R HA 0.444 4.784 4.340 -0.000 0.000 0.326 247 R C -1.410 174.694 176.300 -0.327 0.000 0.973 247 R CA -0.647 54.995 56.100 -0.763 0.000 0.854 247 R CB 1.111 30.594 30.300 -1.363 0.000 1.156 247 R HN 0.321 nan 8.270 nan 0.000 0.487 248 Y N 0.526 120.953 120.300 0.212 0.000 2.429 248 Y HA 0.536 5.086 4.550 -0.000 0.000 0.342 248 Y C 0.111 176.279 175.900 0.446 0.000 1.004 248 Y CA -1.705 56.578 58.100 0.304 0.000 1.075 248 Y CB 2.259 40.871 38.460 0.252 0.000 1.214 248 Y HN 0.560 nan 8.280 nan 0.000 0.455 249 A N 2.123 125.239 122.820 0.493 0.000 2.431 249 A HA 0.690 5.009 4.320 -0.000 0.000 0.318 249 A C 0.116 177.813 177.584 0.189 0.000 1.330 249 A CA -0.374 51.837 52.037 0.290 0.000 0.804 249 A CB -0.173 18.947 19.000 0.200 0.000 1.135 249 A HN 0.851 nan 8.150 nan 0.000 0.483 250 G N 0.722 109.609 108.800 0.146 0.000 2.348 250 G HA2 0.488 4.448 3.960 -0.000 0.000 0.312 250 G HA3 0.488 4.448 3.960 -0.000 0.000 0.312 250 G C -0.844 174.106 174.900 0.083 0.000 1.126 250 G CA -0.336 44.804 45.100 0.067 0.000 0.865 250 G HN 0.704 nan 8.290 nan 0.000 0.474 251 Y N 1.861 122.160 120.300 -0.001 0.000 2.360 251 Y HA 0.681 5.231 4.550 -0.000 0.000 0.337 251 Y C -0.139 175.755 175.900 -0.009 0.000 1.039 251 Y CA -0.967 57.135 58.100 0.003 0.000 1.109 251 Y CB 1.731 40.202 38.460 0.017 0.000 1.201 251 Y HN 0.826 nan 8.280 nan 0.000 0.458 252 A N 6.715 128.884 122.820 -1.086 0.000 2.577 252 A HA 0.599 4.919 4.320 -0.000 0.000 0.297 252 A C -3.171 173.943 177.584 -0.783 0.000 1.060 252 A CA -1.712 49.789 52.037 -0.893 0.000 0.697 252 A CB 1.025 19.780 19.000 -0.409 0.000 1.281 252 A HN 0.526 nan 8.150 nan 0.000 0.402 253 P HA 0.397 nan 4.420 nan 0.000 0.268 253 P C -0.323 176.686 177.300 -0.485 0.000 1.208 253 P CA 0.368 63.158 63.100 -0.516 0.000 0.777 253 P CB 0.849 32.364 31.700 -0.308 0.000 0.875 254 A N 2.172 124.503 122.820 -0.815 0.000 2.449 254 A HA 0.764 5.084 4.320 -0.000 0.000 0.302 254 A C -1.511 175.530 177.584 -0.904 0.000 1.048 254 A CA -0.390 51.196 52.037 -0.751 0.000 0.708 254 A CB 0.836 19.133 19.000 -1.171 0.000 1.274 254 A HN 0.321 nan 8.150 nan 0.000 0.410 255 F N 1.452 121.240 119.950 -0.270 0.000 2.520 255 F HA 0.720 5.246 4.527 -0.000 0.000 0.322 255 F C 0.687 176.437 175.800 -0.083 0.000 1.103 255 F CA -0.334 57.605 58.000 -0.102 0.000 0.926 255 F CB 2.256 41.301 39.000 0.075 0.000 1.154 255 F HN 0.709 nan 8.300 nan 0.000 0.453 256 R N -0.043 120.469 120.500 0.019 0.000 2.574 256 R HA 0.455 4.795 4.340 -0.000 0.000 0.288 256 R C -0.141 175.910 176.300 -0.416 0.000 1.004 256 R CA -0.490 55.553 56.100 -0.096 0.000 0.895 256 R CB 1.665 32.023 30.300 0.097 0.000 1.191 256 R HN 0.685 nan 8.270 nan 0.000 0.444 257 S N 0.836 116.199 115.700 -0.563 0.000 2.515 257 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 257 S C 0.329 174.959 174.600 0.049 0.000 0.987 257 S CA 0.631 58.476 58.200 -0.592 0.000 0.936 257 S CB -0.319 62.694 63.200 -0.312 0.000 0.766 257 S HN 0.847 nan 8.310 nan 0.000 0.528 258 E N 0.720 120.936 120.200 0.027 0.000 2.246 258 E HA -0.207 4.143 4.350 -0.000 0.000 0.173 258 E C 0.187 176.843 176.600 0.093 0.000 1.532 258 E CA 0.627 57.056 56.400 0.048 0.000 0.672 258 E CB -1.635 28.047 29.700 -0.031 0.000 1.078 258 E HN 0.706 nan 8.360 nan 0.000 0.338 259 A N 2.337 125.209 122.820 0.086 0.000 3.051 259 A HA 0.474 4.794 4.320 -0.000 0.000 0.257 259 A C 0.933 178.549 177.584 0.053 0.000 1.785 259 A CA 0.551 52.639 52.037 0.085 0.000 1.420 259 A CB -0.174 18.880 19.000 0.091 0.000 1.063 259 A HN 0.581 nan 8.150 nan 0.000 0.630 260 G N -0.017 108.810 108.800 0.044 0.000 3.829 260 G HA2 0.354 4.314 3.960 -0.000 0.000 0.289 260 G HA3 0.354 4.314 3.960 -0.000 0.000 0.289 260 G C 0.757 175.660 174.900 0.006 0.000 1.274 260 G CA 0.414 45.514 45.100 0.001 0.000 0.698 260 G HN 0.605 nan 8.290 nan 0.000 0.488 261 S N 0.512 116.202 115.700 -0.015 0.000 2.392 261 S HA 0.104 4.573 4.470 -0.000 0.000 0.232 261 S C 0.656 175.264 174.600 0.013 0.000 1.041 261 S CA 1.174 59.384 58.200 0.016 0.000 1.026 261 S CB -0.033 63.167 63.200 0.002 0.000 0.845 261 S HN 1.177 nan 8.310 nan 0.000 0.465 262 F N -2.002 117.951 119.950 0.004 0.000 2.231 262 F HA 0.361 4.887 4.527 -0.000 0.000 0.318 262 F C 0.614 176.414 175.800 0.001 0.000 0.898 262 F CA -0.197 57.802 58.000 -0.002 0.000 0.906 262 F CB -0.187 38.812 39.000 -0.003 0.000 4.079 262 F HN 0.228 nan 8.300 nan 0.000 0.156 263 G N 0.606 108.780 108.800 -1.043 0.000 3.410 263 G HA2 0.542 4.502 3.960 -0.000 0.000 0.189 263 G HA3 0.542 4.502 3.960 -0.000 0.000 0.189 263 G C -1.184 173.847 174.900 0.219 0.000 1.404 263 G CA -0.416 44.578 45.100 -0.177 0.000 0.898 263 G HN 0.451 nan 8.290 nan 0.000 0.650 264 K N 0.890 121.439 120.400 0.249 0.000 2.425 264 K HA 0.411 4.731 4.320 -0.000 0.000 0.259 264 K C -1.506 175.192 176.600 0.165 0.000 0.978 264 K CA -0.332 56.071 56.287 0.192 0.000 0.883 264 K CB 1.058 33.616 32.500 0.097 0.000 1.110 264 K HN 0.363 nan 8.250 nan 0.000 0.436 265 D N 1.330 121.808 120.400 0.131 0.000 3.845 265 D HA -0.175 4.465 4.640 -0.000 0.000 0.227 265 D C -1.466 174.767 176.300 -0.113 0.000 1.092 265 D CA 0.781 54.785 54.000 0.007 0.000 1.148 265 D CB -0.153 40.642 40.800 -0.008 0.000 0.803 265 D HN 0.060 nan 8.370 nan 0.000 0.395 266 V N 4.221 123.862 119.914 -0.456 0.000 2.445 266 V HA 0.473 4.593 4.120 -0.000 0.000 0.283 266 V C 0.562 176.268 176.094 -0.647 0.000 1.014 266 V CA -0.344 61.523 62.300 -0.722 0.000 0.852 266 V CB 1.862 33.128 31.823 -0.929 0.000 1.021 266 V HN 0.564 nan 8.190 nan 0.000 0.435 267 R N 2.611 122.945 120.500 -0.276 0.000 2.490 267 R HA 0.291 4.631 4.340 -0.000 0.000 0.410 267 R C 0.644 176.966 176.300 0.037 0.000 0.876 267 R CA 0.454 56.486 56.100 -0.113 0.000 1.061 267 R CB 1.224 31.480 30.300 -0.074 0.000 1.553 267 R HN 0.801 nan 8.270 nan 0.000 0.593 268 G N -0.085 108.757 108.800 0.070 0.000 2.930 268 G HA2 0.179 4.139 3.960 -0.000 0.000 0.209 268 G HA3 0.179 4.139 3.960 -0.000 0.000 0.209 268 G C 0.446 175.505 174.900 0.266 0.000 2.018 268 G CA -0.307 44.928 45.100 0.224 0.000 0.751 268 G HN 0.091 nan 8.290 nan 0.000 0.770 269 L N 1.524 122.891 121.223 0.240 0.000 2.728 269 L HA 0.290 4.630 4.340 -0.000 0.000 0.235 269 L C 2.005 178.737 176.870 -0.230 0.000 1.197 269 L CA -0.093 54.688 54.840 -0.099 0.000 0.992 269 L CB 0.096 42.002 42.059 -0.255 0.000 1.263 269 L HN 0.308 nan 8.230 nan 0.000 0.484 270 M N -0.843 118.651 119.600 -0.176 0.000 2.556 270 M HA 0.120 4.599 4.480 -0.000 0.000 0.264 270 M C 0.735 176.886 176.300 -0.247 0.000 1.163 270 M CA 0.899 56.057 55.300 -0.237 0.000 1.186 270 M CB 0.178 32.642 32.600 -0.226 0.000 1.321 270 M HN 0.090 nan 8.290 nan 0.000 0.485 271 R N 2.187 122.556 120.500 -0.218 0.000 2.748 271 R HA 0.362 4.701 4.340 -0.000 0.000 0.283 271 R C -0.812 175.400 176.300 -0.147 0.000 1.507 271 R CA -0.075 55.917 56.100 -0.179 0.000 1.666 271 R CB 0.677 30.911 30.300 -0.109 0.000 1.237 271 R HN 0.160 nan 8.270 nan 0.000 0.633 272 V N -1.469 118.371 119.914 -0.123 0.000 2.539 272 V HA 0.293 4.413 4.120 -0.000 0.000 0.292 272 V C 1.564 177.728 176.094 0.116 0.000 1.045 272 V CA -0.600 61.716 62.300 0.025 0.000 0.945 272 V CB 1.679 33.603 31.823 0.169 0.000 0.993 272 V HN 0.481 nan 8.190 nan 0.000 0.464 273 H N 1.622 120.770 119.070 0.130 0.000 2.422 273 H HA -0.054 4.501 4.556 -0.000 0.000 0.298 273 H C 0.913 176.285 175.328 0.074 0.000 1.098 273 H CA 2.128 58.203 56.048 0.046 0.000 1.315 273 H CB 0.441 30.250 29.762 0.079 0.000 1.382 273 H HN 0.814 nan 8.280 nan 0.000 0.523 274 Q N -0.070 119.884 119.800 0.257 0.000 2.321 274 Q HA 0.429 4.769 4.340 -0.000 0.000 0.270 274 Q C -1.485 174.613 176.000 0.164 0.000 1.032 274 Q CA -0.711 55.021 55.803 -0.119 0.000 0.784 274 Q CB 1.496 30.069 28.738 -0.275 0.000 1.264 274 Q HN 0.077 nan 8.270 nan 0.000 0.448 275 F N -0.883 118.915 119.950 -0.254 0.000 2.789 275 F HA 0.575 5.102 4.527 -0.000 0.000 0.319 275 F C -1.506 174.109 175.800 -0.308 0.000 1.168 275 F CA -1.118 56.810 58.000 -0.121 0.000 0.934 275 F CB 1.212 40.183 39.000 -0.049 0.000 1.375 275 F HN 0.407 nan 8.300 nan 0.000 0.480 276 H N 1.029 120.141 119.070 0.071 0.000 2.495 276 H HA 0.548 5.103 4.556 -0.000 0.000 0.348 276 H C -1.284 174.113 175.328 0.115 0.000 1.113 276 H CA -0.844 55.236 56.048 0.054 0.000 1.195 276 H CB 2.317 32.228 29.762 0.248 0.000 1.521 276 H HN 0.635 nan 8.280 nan 0.000 0.509 277 K N 2.505 122.974 120.400 0.116 0.000 2.535 277 K HA 0.338 4.657 4.320 -0.000 0.000 0.250 277 K C -1.550 175.114 176.600 0.108 0.000 0.948 277 K CA -0.613 55.742 56.287 0.113 0.000 0.796 277 K CB 2.021 34.550 32.500 0.048 0.000 1.216 277 K HN 0.264 nan 8.250 nan 0.000 0.432 278 V N 3.801 123.796 119.914 0.135 0.000 2.350 278 V HA 0.332 4.452 4.120 -0.000 0.000 0.276 278 V C -0.255 175.872 176.094 0.055 0.000 1.028 278 V CA -0.686 61.687 62.300 0.122 0.000 0.860 278 V CB 1.306 33.194 31.823 0.108 0.000 0.990 278 V HN 0.691 nan 8.190 nan 0.000 0.453 279 E N 3.545 123.781 120.200 0.061 0.000 2.166 279 E HA 0.385 4.735 4.350 -0.000 0.000 0.275 279 E C -0.686 175.976 176.600 0.102 0.000 0.941 279 E CA -0.540 55.903 56.400 0.070 0.000 0.784 279 E CB 2.240 31.989 29.700 0.082 0.000 1.115 279 E HN 0.650 nan 8.360 nan 0.000 0.399 280 Q N 2.108 121.950 119.800 0.070 0.000 2.267 280 Q HA 0.279 4.619 4.340 -0.000 0.000 0.255 280 Q C -0.973 175.204 176.000 0.295 0.000 0.923 280 Q CA -0.195 55.665 55.803 0.096 0.000 0.925 280 Q CB 1.161 29.834 28.738 -0.108 0.000 1.195 280 Q HN 0.423 nan 8.270 nan 0.000 0.417 281 Y N 1.694 122.169 120.300 0.291 0.000 2.386 281 Y HA 0.460 5.010 4.550 -0.000 0.000 0.334 281 Y C -1.652 174.360 175.900 0.187 0.000 1.002 281 Y CA -0.844 57.394 58.100 0.229 0.000 1.068 281 Y CB 1.255 39.854 38.460 0.231 0.000 1.203 281 Y HN 0.384 nan 8.280 nan 0.000 0.443 282 V N 7.838 127.493 119.914 -0.433 0.000 2.487 282 V HA 0.432 4.552 4.120 -0.000 0.000 0.298 282 V C -0.897 174.848 176.094 -0.582 0.000 1.028 282 V CA -0.834 61.232 62.300 -0.390 0.000 0.860 282 V CB 1.771 33.493 31.823 -0.168 0.000 0.991 282 V HN 0.752 nan 8.190 nan 0.000 0.427 283 L N 4.557 125.527 121.223 -0.421 0.000 2.316 283 L HA 0.713 5.053 4.340 -0.000 0.000 0.280 283 L C -0.030 176.687 176.870 -0.255 0.000 1.006 283 L CA 0.429 55.113 54.840 -0.259 0.000 0.836 283 L CB 1.603 43.612 42.059 -0.082 0.000 1.221 283 L HN 0.793 nan 8.230 nan 0.000 0.418 284 T N 2.417 116.841 114.554 -0.216 0.000 2.910 284 T HA 0.360 4.709 4.350 -0.000 0.000 0.287 284 T C -0.794 173.661 174.700 -0.409 0.000 1.050 284 T CA -0.617 61.315 62.100 -0.280 0.000 1.011 284 T CB 1.229 69.985 68.868 -0.187 0.000 1.195 284 T HN 0.729 nan 8.240 nan 0.000 0.540 285 E N 0.952 120.839 120.200 -0.521 0.000 2.404 285 E HA 0.443 4.793 4.350 -0.000 0.000 0.261 285 E C -0.201 176.079 176.600 -0.535 0.000 1.074 285 E CA -0.636 55.348 56.400 -0.693 0.000 0.917 285 E CB 0.622 30.072 29.700 -0.417 0.000 0.965 285 E HN 0.576 nan 8.360 nan 0.000 0.433 286 A N 3.014 125.511 122.820 -0.537 0.000 3.052 286 A HA 0.140 4.460 4.320 -0.000 0.000 0.266 286 A C 0.027 177.170 177.584 -0.735 0.000 1.855 286 A CA 0.071 51.415 52.037 -1.156 0.000 1.473 286 A CB -0.791 17.876 19.000 -0.554 0.000 1.038 286 A HN 0.434 nan 8.150 nan 0.000 0.619 287 S N 0.944 116.305 115.700 -0.565 0.000 2.547 287 S HA 0.506 4.976 4.470 -0.000 0.000 0.281 287 S C 0.901 175.537 174.600 0.060 0.000 1.118 287 S CA -0.726 57.389 58.200 -0.142 0.000 0.947 287 S CB 0.787 63.942 63.200 -0.074 0.000 1.053 287 S HN 0.420 nan 8.310 nan 0.000 0.482 288 L N 3.249 124.540 121.223 0.113 0.000 2.046 288 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 288 L C 2.615 179.523 176.870 0.063 0.000 1.077 288 L CA 1.851 56.746 54.840 0.090 0.000 0.747 288 L CB -0.612 41.478 42.059 0.053 0.000 0.896 288 L HN 0.905 nan 8.230 nan 0.000 0.432 289 E N 0.366 120.597 120.200 0.050 0.000 2.070 289 E HA -0.278 4.071 4.350 -0.000 0.000 0.197 289 E C 2.119 178.737 176.600 0.030 0.000 1.004 289 E CA 1.624 58.047 56.400 0.039 0.000 0.805 289 E CB 0.064 29.782 29.700 0.030 0.000 0.744 289 E HN 0.462 nan 8.360 nan 0.000 0.451 290 A N 0.382 123.214 122.820 0.020 0.000 1.873 290 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 290 A C 2.383 179.986 177.584 0.031 0.000 1.186 290 A CA 1.710 53.746 52.037 -0.000 0.000 0.616 290 A CB -0.837 18.133 19.000 -0.050 0.000 0.823 290 A HN 0.331 nan 8.150 nan 0.000 0.442 291 S N -0.266 115.485 115.700 0.086 0.000 2.359 291 S HA -0.202 4.267 4.470 -0.000 0.000 0.224 291 S C 1.684 176.332 174.600 0.079 0.000 1.035 291 S CA 1.886 60.139 58.200 0.089 0.000 1.018 291 S CB -0.494 62.736 63.200 0.051 0.000 0.876 291 S HN 0.595 nan 8.310 nan 0.000 0.448 292 D N 0.295 120.725 120.400 0.050 0.000 2.144 292 D HA -0.030 4.610 4.640 -0.000 0.000 0.200 292 D C 2.116 178.473 176.300 0.095 0.000 0.978 292 D CA 0.717 54.742 54.000 0.042 0.000 0.833 292 D CB -0.260 40.548 40.800 0.013 0.000 0.961 292 D HN 0.330 nan 8.370 nan 0.000 0.470 293 R N 0.337 120.878 120.500 0.069 0.000 2.075 293 R HA -0.023 4.316 4.340 -0.000 0.000 0.232 293 R C 2.053 178.394 176.300 0.070 0.000 1.126 293 R CA 1.257 57.392 56.100 0.058 0.000 0.963 293 R CB -0.075 30.241 30.300 0.027 0.000 0.858 293 R HN 0.118 nan 8.270 nan 0.000 0.435 294 A N 0.270 123.132 122.820 0.069 0.000 1.877 294 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 294 A C 1.988 179.644 177.584 0.121 0.000 1.186 294 A CA 1.207 53.285 52.037 0.069 0.000 0.620 294 A CB -0.806 18.214 19.000 0.033 0.000 0.822 294 A HN 0.478 nan 8.150 nan 0.000 0.443 295 F N 0.531 120.474 119.950 -0.012 0.000 2.095 295 F HA -0.262 4.265 4.527 -0.000 0.000 0.298 295 F C 2.605 178.394 175.800 -0.019 0.000 1.104 295 F CA 2.412 60.399 58.000 -0.022 0.000 1.232 295 F CB -0.217 38.755 39.000 -0.047 0.000 0.987 295 F HN 0.397 nan 8.300 nan 0.000 0.475 296 Q N 0.189 120.130 119.800 0.235 0.000 2.084 296 Q HA -0.281 4.059 4.340 -0.000 0.000 0.202 296 Q C 2.320 178.337 176.000 0.029 0.000 0.978 296 Q CA 1.974 57.849 55.803 0.121 0.000 0.844 296 Q CB -0.416 28.391 28.738 0.114 0.000 0.898 296 Q HN 0.622 nan 8.270 nan 0.000 0.426 297 E N -0.200 120.025 120.200 0.041 0.000 2.051 297 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 297 E C 2.030 178.634 176.600 0.007 0.000 0.991 297 E CA 0.893 57.320 56.400 0.045 0.000 0.799 297 E CB 0.029 29.782 29.700 0.089 0.000 0.748 297 E HN 0.289 nan 8.360 nan 0.000 0.449 298 L N 0.618 121.821 121.223 -0.034 0.000 2.131 298 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 298 L C 2.280 179.035 176.870 -0.190 0.000 1.092 298 L CA 1.081 55.855 54.840 -0.109 0.000 0.759 298 L CB -0.495 41.474 42.059 -0.149 0.000 0.903 298 L HN 0.229 nan 8.230 nan 0.000 0.435 299 L N -1.044 120.041 121.223 -0.229 0.000 2.102 299 L HA -0.088 4.252 4.340 -0.000 0.000 0.202 299 L C 2.383 179.160 176.870 -0.155 0.000 1.076 299 L CA 1.407 56.107 54.840 -0.233 0.000 0.761 299 L CB -0.446 41.463 42.059 -0.250 0.000 0.921 299 L HN 0.268 nan 8.230 nan 0.000 0.444 300 E N -0.467 119.685 120.200 -0.080 0.000 2.118 300 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 300 E C 1.859 178.450 176.600 -0.015 0.000 0.992 300 E CA 1.551 57.932 56.400 -0.031 0.000 0.804 300 E CB -0.272 29.436 29.700 0.013 0.000 0.741 300 E HN 0.640 nan 8.360 nan 0.000 0.458 301 N N 0.492 119.188 118.700 -0.007 0.000 2.084 301 N HA -0.173 4.567 4.740 -0.000 0.000 0.190 301 N C 1.952 177.416 175.510 -0.076 0.000 1.030 301 N CA 0.893 53.998 53.050 0.092 0.000 0.849 301 N CB -0.126 38.373 38.487 0.019 0.000 1.012 301 N HN 0.093 nan 8.380 nan 0.000 0.423 302 A N 1.565 124.250 122.820 -0.224 0.000 1.877 302 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 302 A C 1.973 179.207 177.584 -0.583 0.000 1.186 302 A CA 1.338 53.095 52.037 -0.466 0.000 0.620 302 A CB -0.481 18.222 19.000 -0.495 0.000 0.822 302 A HN 0.277 nan 8.150 nan 0.000 0.443 303 E N -0.885 119.039 120.200 -0.459 0.000 2.085 303 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 303 E C 2.066 178.494 176.600 -0.287 0.000 0.994 303 E CA 1.417 57.531 56.400 -0.478 0.000 0.801 303 E CB -0.102 29.488 29.700 -0.183 0.000 0.743 303 E HN 0.667 nan 8.360 nan 0.000 0.453 304 E N 0.940 121.041 120.200 -0.165 0.000 2.106 304 E HA -0.119 4.230 4.350 -0.000 0.000 0.192 304 E C 1.860 178.295 176.600 -0.274 0.000 0.984 304 E CA 0.701 57.051 56.400 -0.085 0.000 0.806 304 E CB -0.107 29.688 29.700 0.157 0.000 0.750 304 E HN 0.217 nan 8.360 nan 0.000 0.458 305 I N 0.093 120.343 120.570 -0.534 0.000 2.163 305 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 305 I C 2.101 178.097 176.117 -0.201 0.000 1.085 305 I CA 1.006 62.008 61.300 -0.496 0.000 1.347 305 I CB -0.204 37.471 38.000 -0.542 0.000 1.044 305 I HN 0.165 nan 8.210 nan 0.000 0.408 306 L N -0.114 120.948 121.223 -0.269 0.000 2.141 306 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 306 L C 2.701 179.553 176.870 -0.031 0.000 1.094 306 L CA 1.044 55.776 54.840 -0.180 0.000 0.763 306 L CB -0.561 41.258 42.059 -0.401 0.000 0.908 306 L HN 0.181 nan 8.230 nan 0.000 0.437 307 R N -0.379 120.110 120.500 -0.018 0.000 2.075 307 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 307 R C 2.174 178.500 176.300 0.045 0.000 1.126 307 R CA 0.948 57.091 56.100 0.073 0.000 0.963 307 R CB -0.434 29.917 30.300 0.085 0.000 0.858 307 R HN 0.175 nan 8.270 nan 0.000 0.435 308 L N 0.507 121.742 121.223 0.021 0.000 2.127 308 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 308 L C 1.877 178.708 176.870 -0.066 0.000 1.089 308 L CA 1.395 56.251 54.840 0.026 0.000 0.757 308 L CB -0.369 41.765 42.059 0.124 0.000 0.899 308 L HN 0.112 nan 8.230 nan 0.000 0.434 309 L N -0.670 120.520 121.223 -0.054 0.000 2.567 309 L HA 0.076 4.416 4.340 -0.000 0.000 0.225 309 L C 0.854 177.785 176.870 0.101 0.000 1.119 309 L CA 0.415 55.228 54.840 -0.045 0.000 0.871 309 L CB -0.503 41.533 42.059 -0.040 0.000 1.036 309 L HN 0.336 nan 8.230 nan 0.000 0.459 310 E N -0.115 120.141 120.200 0.092 0.000 2.389 310 E HA -0.234 4.115 4.350 -0.000 0.000 0.243 310 E C -0.470 176.278 176.600 0.248 0.000 1.154 310 E CA 0.152 56.641 56.400 0.149 0.000 0.723 310 E CB -1.708 28.035 29.700 0.071 0.000 1.261 310 E HN 0.329 nan 8.360 nan 0.000 0.390 311 L N 0.886 122.219 121.223 0.183 0.000 2.329 311 L HA 0.531 4.871 4.340 -0.000 0.000 0.279 311 L C -1.943 175.059 176.870 0.219 0.000 1.014 311 L CA -2.198 52.737 54.840 0.159 0.000 0.814 311 L CB 1.141 43.269 42.059 0.115 0.000 1.257 311 L HN -0.136 nan 8.230 nan 0.000 0.424 312 P HA 0.261 nan 4.420 nan 0.000 0.286 312 P C -1.671 175.806 177.300 0.296 0.000 1.269 312 P CA -0.123 63.061 63.100 0.139 0.000 0.787 312 P CB 0.755 32.476 31.700 0.036 0.000 0.920 313 Y N 1.259 121.666 120.300 0.177 0.000 2.638 313 Y HA 0.799 5.349 4.550 -0.000 0.000 0.339 313 Y C -0.487 175.472 175.900 0.099 0.000 1.084 313 Y CA -1.467 56.754 58.100 0.203 0.000 1.068 313 Y CB 1.663 40.175 38.460 0.085 0.000 1.294 313 Y HN 0.520 nan 8.280 nan 0.000 0.480 314 R N 1.117 121.710 120.500 0.154 0.000 2.836 314 R HA 0.796 5.136 4.340 -0.000 0.000 0.269 314 R C -2.367 173.983 176.300 0.084 0.000 1.010 314 R CA -1.033 55.019 56.100 -0.079 0.000 0.930 314 R CB 1.796 31.836 30.300 -0.433 0.000 1.218 314 R HN 0.662 nan 8.270 nan 0.000 0.473 315 L N 1.287 122.529 121.223 0.031 0.000 2.317 315 L HA 0.537 4.877 4.340 -0.000 0.000 0.281 315 L C -0.947 175.928 176.870 0.009 0.000 1.024 315 L CA -0.633 54.237 54.840 0.051 0.000 0.810 315 L CB 2.234 44.336 42.059 0.071 0.000 1.240 315 L HN 0.480 nan 8.230 nan 0.000 0.427 316 V N 3.046 122.976 119.914 0.028 0.000 2.525 316 V HA 0.362 4.481 4.120 -0.000 0.000 0.299 316 V C -0.309 175.819 176.094 0.058 0.000 1.034 316 V CA -0.939 61.376 62.300 0.024 0.000 0.863 316 V CB 1.758 33.589 31.823 0.013 0.000 0.999 316 V HN 0.577 nan 8.190 nan 0.000 0.423 317 E N 3.023 123.265 120.200 0.071 0.000 2.324 317 E HA 0.226 4.575 4.350 -0.000 0.000 0.271 317 E C -0.487 176.161 176.600 0.079 0.000 1.028 317 E CA 0.013 56.477 56.400 0.107 0.000 0.890 317 E CB 1.827 31.608 29.700 0.135 0.000 1.004 317 E HN 0.406 nan 8.360 nan 0.000 0.431 318 V N 2.700 122.667 119.914 0.088 0.000 2.509 318 V HA 0.288 4.408 4.120 -0.000 0.000 0.284 318 V C 0.642 176.765 176.094 0.049 0.000 1.047 318 V CA -0.653 61.682 62.300 0.058 0.000 0.952 318 V CB 1.387 33.244 31.823 0.056 0.000 0.988 318 V HN 0.757 nan 8.190 nan 0.000 0.469 319 A N 3.384 126.216 122.820 0.019 0.000 2.366 319 A HA 0.373 4.693 4.320 -0.000 0.000 0.249 319 A C 1.639 179.215 177.584 -0.014 0.000 1.084 319 A CA 0.404 52.437 52.037 -0.008 0.000 0.794 319 A CB 0.189 19.180 19.000 -0.016 0.000 1.034 319 A HN 1.145 nan 8.150 nan 0.000 0.491 320 T N -0.518 114.011 114.554 -0.041 0.000 2.737 320 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 320 T C 1.636 176.315 174.700 -0.034 0.000 1.040 320 T CA 1.831 63.901 62.100 -0.050 0.000 1.142 320 T CB -0.677 68.143 68.868 -0.079 0.000 0.861 320 T HN 0.997 nan 8.240 nan 0.000 0.456 321 G N 0.214 108.998 108.800 -0.027 0.000 2.650 321 G HA2 0.027 3.987 3.960 -0.000 0.000 0.214 321 G HA3 0.027 3.987 3.960 -0.000 0.000 0.214 321 G C 1.143 176.043 174.900 0.001 0.000 1.136 321 G CA 0.716 45.807 45.100 -0.015 0.000 0.789 321 G HN 0.603 nan 8.290 nan 0.000 0.536 322 D N -1.009 119.393 120.400 0.004 0.000 2.454 322 D HA 0.170 4.810 4.640 -0.000 0.000 0.214 322 D C 2.389 178.701 176.300 0.022 0.000 1.088 322 D CA -0.188 53.821 54.000 0.015 0.000 0.855 322 D CB 0.034 40.841 40.800 0.012 0.000 1.025 322 D HN 0.091 nan 8.370 nan 0.000 0.502 323 M N 0.288 119.897 119.600 0.015 0.000 2.089 323 M HA 0.008 4.488 4.480 -0.000 0.000 0.257 323 M C 1.012 177.321 176.300 0.016 0.000 1.071 323 M CA 1.919 57.227 55.300 0.012 0.000 1.096 323 M CB -0.455 32.140 32.600 -0.008 0.000 1.330 323 M HN 0.204 nan 8.290 nan 0.000 0.403 324 G N -1.505 107.310 108.800 0.026 0.000 2.662 324 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 324 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 324 G C -2.366 172.479 174.900 -0.092 0.000 1.271 324 G CA -0.494 44.637 45.100 0.052 0.000 0.816 324 G HN 0.144 nan 8.290 nan 0.000 0.608 325 P HA -0.040 nan 4.420 nan 0.000 0.217 325 P C 1.770 178.653 177.300 -0.694 0.000 1.150 325 P CA 2.140 65.075 63.100 -0.274 0.000 0.832 325 P CB -0.119 31.501 31.700 -0.134 0.000 0.787 326 G N -0.782 107.334 108.800 -1.140 0.000 2.712 326 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.212 326 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.212 326 G C 0.604 175.086 174.900 -0.697 0.000 1.142 326 G CA 0.108 44.093 45.100 -1.858 0.000 0.789 326 G HN 0.240 nan 8.290 nan 0.000 0.535 327 K N -0.504 119.690 120.400 -0.343 0.000 2.154 327 K HA 0.273 4.593 4.320 -0.000 0.000 0.264 327 K C 0.405 177.028 176.600 0.038 0.000 1.008 327 K CA -0.849 55.385 56.287 -0.088 0.000 0.937 327 K CB 1.336 33.821 32.500 -0.026 0.000 1.002 327 K HN 0.225 nan 8.250 nan 0.000 0.469 328 W N 2.909 124.140 121.300 -0.113 0.000 2.728 328 W HA 0.177 4.836 4.660 -0.000 0.000 0.270 328 W C -0.302 176.193 176.519 -0.041 0.000 1.150 328 W CA 0.401 57.702 57.345 -0.073 0.000 1.518 328 W CB 0.685 30.069 29.460 -0.127 0.000 1.069 328 W HN 0.281 nan 8.180 nan 0.000 0.590 329 R N 1.537 121.970 120.500 -0.111 0.000 2.744 329 R HA 0.281 4.621 4.340 -0.000 0.000 0.279 329 R C -1.407 174.887 176.300 -0.009 0.000 0.977 329 R CA -0.433 55.457 56.100 -0.351 0.000 0.906 329 R CB 2.390 32.137 30.300 -0.921 0.000 1.197 329 R HN 0.036 nan 8.270 nan 0.000 0.463 330 Q N 2.444 122.279 119.800 0.057 0.000 2.263 330 Q HA 0.374 4.714 4.340 -0.000 0.000 0.266 330 Q C -1.796 174.307 176.000 0.172 0.000 1.002 330 Q CA -0.584 55.314 55.803 0.158 0.000 0.790 330 Q CB 2.450 31.245 28.738 0.095 0.000 1.272 330 Q HN 0.334 nan 8.270 nan 0.000 0.435 331 V N 3.861 123.907 119.914 0.219 0.000 2.407 331 V HA 0.287 4.407 4.120 -0.000 0.000 0.291 331 V C -0.756 175.372 176.094 0.057 0.000 1.018 331 V CA -0.788 61.597 62.300 0.142 0.000 0.842 331 V CB 1.679 33.616 31.823 0.189 0.000 0.996 331 V HN 0.751 nan 8.190 nan 0.000 0.426 332 D N 4.428 124.861 120.400 0.055 0.000 2.304 332 D HA 0.472 5.112 4.640 -0.000 0.000 0.250 332 D C -0.107 176.220 176.300 0.045 0.000 1.107 332 D CA 0.131 54.157 54.000 0.045 0.000 0.885 332 D CB 1.694 42.521 40.800 0.046 0.000 1.192 332 D HN 0.348 nan 8.370 nan 0.000 0.436 333 I N 1.849 122.451 120.570 0.053 0.000 2.377 333 I HA 0.228 4.398 4.170 -0.000 0.000 0.293 333 I C 0.425 176.613 176.117 0.118 0.000 0.987 333 I CA -0.534 60.802 61.300 0.060 0.000 1.185 333 I CB 1.163 39.125 38.000 -0.064 0.000 1.341 333 I HN 0.066 nan 8.210 nan 0.000 0.455 334 E N 5.163 125.459 120.200 0.161 0.000 2.238 334 E HA 0.598 4.948 4.350 -0.000 0.000 0.267 334 E C -1.352 175.469 176.600 0.369 0.000 0.887 334 E CA -0.798 55.733 56.400 0.220 0.000 0.769 334 E CB 3.285 33.109 29.700 0.207 0.000 1.187 334 E HN 0.230 nan 8.360 nan 0.000 0.416 335 V N 2.568 122.672 119.914 0.317 0.000 2.628 335 V HA 0.157 4.277 4.120 -0.000 0.000 0.306 335 V C -0.833 175.356 176.094 0.159 0.000 1.045 335 V CA -0.901 61.575 62.300 0.293 0.000 0.905 335 V CB 1.225 33.139 31.823 0.152 0.000 0.997 335 V HN 0.627 nan 8.190 nan 0.000 0.436 336 Y N 4.408 124.610 120.300 -0.164 0.000 2.569 336 Y HA 0.334 4.884 4.550 -0.000 0.000 0.332 336 Y C -0.195 175.557 175.900 -0.247 0.000 1.120 336 Y CA -0.356 57.435 58.100 -0.514 0.000 1.416 336 Y CB 0.760 38.879 38.460 -0.568 0.000 1.210 336 Y HN 0.522 nan 8.280 nan 0.000 0.528 337 L N 10.913 131.707 121.223 -0.715 0.000 2.297 337 L HA 0.417 4.757 4.340 -0.000 0.000 0.277 337 L C -1.960 174.451 176.870 -0.766 0.000 1.040 337 L CA -2.239 52.278 54.840 -0.538 0.000 0.867 337 L CB 1.170 43.037 42.059 -0.320 0.000 1.244 337 L HN 0.451 nan 8.230 nan 0.000 0.433 338 P HA -0.199 nan 4.420 nan 0.000 0.217 338 P C 1.489 178.650 177.300 -0.231 0.000 1.151 338 P CA 1.733 64.624 63.100 -0.349 0.000 0.849 338 P CB 0.255 31.984 31.700 0.049 0.000 0.787 339 S N -0.863 114.720 115.700 -0.196 0.000 2.387 339 S HA -0.119 4.351 4.470 -0.000 0.000 0.226 339 S C 1.863 176.388 174.600 -0.125 0.000 1.026 339 S CA 0.947 59.066 58.200 -0.134 0.000 0.972 339 S CB -1.012 62.123 63.200 -0.109 0.000 0.814 339 S HN 0.219 nan 8.310 nan 0.000 0.477 340 E N 1.076 121.178 120.200 -0.164 0.000 2.285 340 E HA 0.175 4.524 4.350 -0.000 0.000 0.194 340 E C 1.127 177.654 176.600 -0.121 0.000 0.997 340 E CA 0.228 56.553 56.400 -0.126 0.000 0.845 340 E CB -0.347 29.279 29.700 -0.123 0.000 0.782 340 E HN 0.734 nan 8.360 nan 0.000 0.491 341 G N 2.391 111.067 108.800 -0.207 0.000 2.246 341 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.273 341 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.273 341 G C 0.040 174.912 174.900 -0.047 0.000 1.055 341 G CA 0.934 45.967 45.100 -0.113 0.000 0.851 341 G HN 0.371 nan 8.290 nan 0.000 0.500 342 R N -2.674 117.660 120.500 -0.277 0.000 2.756 342 R HA 0.651 4.990 4.340 -0.000 0.000 0.273 342 R C -1.318 174.885 176.300 -0.161 0.000 1.030 342 R CA -1.311 54.770 56.100 -0.031 0.000 0.887 342 R CB 0.743 31.078 30.300 0.059 0.000 1.274 342 R HN 0.131 nan 8.270 nan 0.000 0.461 343 Y N 0.579 120.935 120.300 0.092 0.000 2.326 343 Y HA 0.522 5.072 4.550 -0.000 0.000 0.337 343 Y C 0.113 176.033 175.900 0.034 0.000 1.023 343 Y CA -0.600 57.558 58.100 0.098 0.000 1.143 343 Y CB 1.434 39.977 38.460 0.139 0.000 1.183 343 Y HN 0.139 nan 8.280 nan 0.000 0.485 344 R N 2.147 122.722 120.500 0.125 0.000 2.599 344 R HA 0.214 4.554 4.340 -0.000 0.000 0.295 344 R C -0.488 175.852 176.300 0.066 0.000 0.963 344 R CA -0.994 55.141 56.100 0.059 0.000 0.883 344 R CB 2.011 32.297 30.300 -0.022 0.000 1.171 344 R HN 0.753 nan 8.270 nan 0.000 0.450 345 E N 1.354 121.583 120.200 0.048 0.000 2.384 345 E HA -0.023 4.327 4.350 -0.000 0.000 0.266 345 E C 0.132 176.732 176.600 -0.001 0.000 1.012 345 E CA 0.460 56.886 56.400 0.043 0.000 0.901 345 E CB 0.837 30.550 29.700 0.021 0.000 0.967 345 E HN 0.702 nan 8.360 nan 0.000 0.435 346 T N 0.806 115.380 114.554 0.032 0.000 2.987 346 T HA 0.122 4.472 4.350 -0.000 0.000 0.248 346 T C 0.126 174.707 174.700 -0.199 0.000 0.997 346 T CA -0.072 62.001 62.100 -0.046 0.000 1.013 346 T CB 0.098 68.999 68.868 0.055 0.000 1.077 346 T HN 0.482 nan 8.240 nan 0.000 0.483 347 H N 0.459 119.493 119.070 -0.060 0.000 2.768 347 H HA 0.790 5.346 4.556 -0.000 0.000 0.371 347 H C -1.297 173.999 175.328 -0.054 0.000 1.151 347 H CA -0.732 55.274 56.048 -0.069 0.000 1.165 347 H CB 2.180 31.877 29.762 -0.108 0.000 1.722 347 H HN 0.176 nan 8.280 nan 0.000 0.543 348 S N 1.714 117.446 115.700 0.053 0.000 2.776 348 S HA 0.341 4.811 4.470 -0.000 0.000 0.284 348 S C -1.170 173.430 174.600 -0.000 0.000 1.160 348 S CA -0.469 57.745 58.200 0.025 0.000 1.051 348 S CB 0.307 63.519 63.200 0.020 0.000 1.037 348 S HN 0.748 nan 8.310 nan 0.000 0.485 349 C N 4.748 124.019 119.300 -0.048 0.000 2.273 349 C HA 0.831 5.291 4.460 -0.000 0.000 0.328 349 C C 0.150 175.130 174.990 -0.017 0.000 1.275 349 C CA -0.019 58.898 59.018 -0.169 0.000 1.704 349 C CB -0.358 27.100 27.740 -0.470 0.000 2.326 349 C HN 0.862 nan 8.230 nan 0.000 0.517 350 S N 3.232 118.974 115.700 0.070 0.000 2.513 350 S HA 0.845 5.315 4.470 -0.000 0.000 0.299 350 S C -0.582 174.186 174.600 0.281 0.000 1.087 350 S CA -0.439 57.888 58.200 0.212 0.000 1.012 350 S CB 1.704 64.978 63.200 0.124 0.000 1.044 350 S HN 1.053 nan 8.310 nan 0.000 0.485 351 A N 2.427 125.432 122.820 0.308 0.000 2.304 351 A HA 0.702 5.022 4.320 -0.000 0.000 0.314 351 A C -0.239 177.415 177.584 0.116 0.000 1.187 351 A CA -0.484 51.674 52.037 0.202 0.000 0.810 351 A CB 0.213 19.320 19.000 0.179 0.000 1.183 351 A HN 0.746 nan 8.150 nan 0.000 0.487 352 L N 2.981 124.230 121.223 0.043 0.000 2.766 352 L HA 0.292 4.632 4.340 -0.000 0.000 0.242 352 L C 1.003 177.843 176.870 -0.051 0.000 1.136 352 L CA 0.279 55.143 54.840 0.039 0.000 0.933 352 L CB -0.686 41.452 42.059 0.132 0.000 1.241 352 L HN 0.932 nan 8.230 nan 0.000 0.522 353 L N 0.043 121.079 121.223 -0.312 0.000 5.531 353 L HA -0.404 3.936 4.340 -0.000 0.000 0.053 353 L C 0.781 177.427 176.870 -0.373 0.000 2.831 353 L CA 1.831 56.161 54.840 -0.850 0.000 1.552 353 L CB -1.030 40.441 42.059 -0.981 0.000 2.889 353 L HN 0.534 nan 8.230 nan 0.000 0.964 354 D N -1.897 118.430 120.400 -0.122 0.000 2.501 354 D HA 0.024 4.664 4.640 -0.000 0.000 0.224 354 D C 1.148 177.532 176.300 0.140 0.000 1.202 354 D CA -0.100 54.010 54.000 0.183 0.000 0.829 354 D CB -0.339 40.679 40.800 0.362 0.000 1.023 354 D HN 0.622 nan 8.370 nan 0.000 0.499 355 W N 2.123 123.407 121.300 -0.027 0.000 2.388 355 W HA -0.147 4.513 4.660 -0.000 0.000 0.294 355 W C 2.221 178.742 176.519 0.004 0.000 1.212 355 W CA 2.295 59.634 57.345 -0.010 0.000 1.271 355 W CB 0.322 29.792 29.460 0.015 0.000 1.126 355 W HN 0.128 nan 8.180 nan 0.000 0.535 356 Q N -1.036 118.932 119.800 0.280 0.000 2.302 356 Q HA 0.131 4.470 4.340 -0.000 0.000 0.202 356 Q C 2.170 178.220 176.000 0.084 0.000 0.936 356 Q CA 0.979 56.862 55.803 0.133 0.000 0.886 356 Q CB -0.825 28.080 28.738 0.279 0.000 0.986 356 Q HN 0.155 nan 8.270 nan 0.000 0.487 357 A N 2.203 125.108 122.820 0.142 0.000 1.940 357 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 357 A C 2.146 179.792 177.584 0.103 0.000 1.176 357 A CA 1.485 53.644 52.037 0.203 0.000 0.631 357 A CB -0.415 18.774 19.000 0.316 0.000 0.814 357 A HN 0.335 nan 8.150 nan 0.000 0.446 358 R N -0.994 119.373 120.500 -0.220 0.000 2.148 358 R HA 0.000 4.340 4.340 -0.000 0.000 0.223 358 R C 2.307 178.451 176.300 -0.259 0.000 1.088 358 R CA 1.215 56.999 56.100 -0.525 0.000 0.985 358 R CB -0.154 29.761 30.300 -0.642 0.000 0.880 358 R HN 0.506 nan 8.270 nan 0.000 0.451 359 R N -0.036 120.334 120.500 -0.218 0.000 2.080 359 R HA 0.109 4.449 4.340 -0.000 0.000 0.222 359 R C 1.951 178.224 176.300 -0.045 0.000 1.107 359 R CA 1.135 57.131 56.100 -0.173 0.000 0.980 359 R CB 0.021 30.164 30.300 -0.262 0.000 0.879 359 R HN 0.102 nan 8.270 nan 0.000 0.439 360 A N 0.698 123.525 122.820 0.012 0.000 2.238 360 A HA 0.001 4.320 4.320 -0.000 0.000 0.210 360 A C 0.335 177.985 177.584 0.111 0.000 1.179 360 A CA -0.021 52.054 52.037 0.063 0.000 0.827 360 A CB -0.376 18.678 19.000 0.090 0.000 0.856 360 A HN 0.584 nan 8.150 nan 0.000 0.488 361 N N -0.544 118.255 118.700 0.164 0.000 2.699 361 N HA -0.128 4.612 4.740 -0.000 0.000 0.257 361 N C -1.213 174.427 175.510 0.216 0.000 1.077 361 N CA 0.055 53.252 53.050 0.246 0.000 0.702 361 N CB -1.007 37.578 38.487 0.163 0.000 0.886 361 N HN 0.410 nan 8.380 nan 0.000 0.549 362 L N 2.082 123.474 121.223 0.281 0.000 2.287 362 L HA 0.571 4.910 4.340 -0.000 0.000 0.287 362 L C 0.411 177.404 176.870 0.204 0.000 1.022 362 L CA -0.485 54.495 54.840 0.232 0.000 0.814 362 L CB 1.638 43.851 42.059 0.257 0.000 1.217 362 L HN 0.184 nan 8.230 nan 0.000 0.420 363 R N 2.380 122.943 120.500 0.105 0.000 2.725 363 R HA 0.605 4.945 4.340 -0.000 0.000 0.277 363 R C -1.578 174.788 176.300 0.110 0.000 0.987 363 R CA -0.871 55.239 56.100 0.017 0.000 0.901 363 R CB 2.662 32.841 30.300 -0.202 0.000 1.207 363 R HN 0.491 nan 8.270 nan 0.000 0.463 364 Y N -1.281 118.977 120.300 -0.070 0.000 2.602 364 Y HA 0.569 5.119 4.550 -0.000 0.000 0.342 364 Y C -0.859 175.022 175.900 -0.031 0.000 1.029 364 Y CA -1.559 56.517 58.100 -0.039 0.000 1.080 364 Y CB 1.280 39.726 38.460 -0.023 0.000 1.284 364 Y HN 0.380 nan 8.280 nan 0.000 0.485 365 R N 2.997 123.432 120.500 -0.108 0.000 2.202 365 R HA 0.192 4.532 4.340 -0.000 0.000 0.334 365 R C -0.760 175.512 176.300 -0.047 0.000 1.036 365 R CA -0.487 55.519 56.100 -0.155 0.000 0.878 365 R CB 0.230 30.507 30.300 -0.039 0.000 1.067 365 R HN 1.008 nan 8.270 nan 0.000 0.457 366 D N 4.844 125.088 120.400 -0.259 0.000 2.414 366 D HA 0.109 4.749 4.640 -0.000 0.000 0.251 366 D C -1.729 174.377 176.300 -0.322 0.000 1.252 366 D CA -1.685 52.231 54.000 -0.140 0.000 0.999 366 D CB 0.370 41.038 40.800 -0.221 0.000 1.093 366 D HN 0.217 nan 8.370 nan 0.000 0.515 367 P HA -0.057 nan 4.420 nan 0.000 0.222 367 P C 0.447 177.591 177.300 -0.260 0.000 1.147 367 P CA 0.989 63.764 63.100 -0.543 0.000 0.790 367 P CB 0.139 31.494 31.700 -0.576 0.000 0.780 368 E N -1.459 118.619 120.200 -0.203 0.000 2.463 368 E HA 0.177 4.527 4.350 -0.000 0.000 0.193 368 E C 1.433 177.964 176.600 -0.116 0.000 1.041 368 E CA 0.419 56.739 56.400 -0.134 0.000 0.879 368 E CB -0.469 29.162 29.700 -0.115 0.000 0.997 368 E HN 0.180 nan 8.360 nan 0.000 0.478 369 G N 2.837 111.561 108.800 -0.126 0.000 2.168 369 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.263 369 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.263 369 G C 0.348 175.177 174.900 -0.120 0.000 0.977 369 G CA 0.671 45.708 45.100 -0.105 0.000 0.659 369 G HN 0.407 nan 8.290 nan 0.000 0.533 370 R N -0.349 120.064 120.500 -0.145 0.000 2.357 370 R HA 0.643 4.983 4.340 -0.000 0.000 0.296 370 R C -0.191 175.960 176.300 -0.248 0.000 1.052 370 R CA -0.862 55.140 56.100 -0.163 0.000 0.988 370 R CB 1.730 31.950 30.300 -0.132 0.000 1.025 370 R HN 0.076 nan 8.270 nan 0.000 0.469 371 V N 4.494 124.266 119.914 -0.236 0.000 2.455 371 V HA 0.263 4.383 4.120 -0.000 0.000 0.273 371 V C 0.433 176.314 176.094 -0.354 0.000 1.045 371 V CA -0.130 61.986 62.300 -0.308 0.000 0.976 371 V CB 0.393 32.080 31.823 -0.226 0.000 0.993 371 V HN 0.736 nan 8.190 nan 0.000 0.475 372 R N 3.011 123.198 120.500 -0.522 0.000 2.807 372 R HA 0.474 4.813 4.340 -0.000 0.000 0.276 372 R C -1.445 174.682 176.300 -0.288 0.000 0.979 372 R CA -0.981 54.875 56.100 -0.407 0.000 0.928 372 R CB 2.030 32.064 30.300 -0.443 0.000 1.191 372 R HN 0.535 nan 8.270 nan 0.000 0.471 373 Y N 1.111 121.438 120.300 0.044 0.000 2.544 373 Y HA 0.108 4.658 4.550 -0.000 0.000 0.330 373 Y C 0.999 177.072 175.900 0.290 0.000 1.136 373 Y CA 0.318 58.514 58.100 0.159 0.000 1.417 373 Y CB 0.524 39.067 38.460 0.139 0.000 1.229 373 Y HN 0.628 nan 8.280 nan 0.000 0.532 374 A N 3.782 126.880 122.820 0.465 0.000 2.327 374 A HA 0.390 4.710 4.320 -0.000 0.000 0.255 374 A C -1.134 176.674 177.584 0.373 0.000 1.099 374 A CA -0.396 51.817 52.037 0.294 0.000 0.801 374 A CB 0.194 19.283 19.000 0.149 0.000 1.062 374 A HN 0.589 nan 8.150 nan 0.000 0.496 375 Y N 0.138 120.443 120.300 0.009 0.000 2.342 375 Y HA 0.512 5.062 4.550 -0.000 0.000 0.334 375 Y C 1.026 176.892 175.900 -0.057 0.000 1.067 375 Y CA -0.861 57.230 58.100 -0.014 0.000 1.128 375 Y CB 1.493 39.916 38.460 -0.062 0.000 1.200 375 Y HN 0.757 nan 8.280 nan 0.000 0.464 376 T N 1.695 116.306 114.554 0.095 0.000 2.885 376 T HA 0.885 5.234 4.350 -0.000 0.000 0.285 376 T C -0.907 173.765 174.700 -0.047 0.000 1.019 376 T CA -0.723 61.352 62.100 -0.041 0.000 1.010 376 T CB 1.701 70.582 68.868 0.023 0.000 1.022 376 T HN 0.300 nan 8.240 nan 0.000 0.466 377 L N 2.272 123.409 121.223 -0.143 0.000 2.415 377 L HA 0.708 5.048 4.340 -0.000 0.000 0.256 377 L C -0.390 176.439 176.870 -0.068 0.000 1.010 377 L CA -0.781 54.038 54.840 -0.035 0.000 0.826 377 L CB 2.332 44.404 42.059 0.022 0.000 1.405 377 L HN 1.040 nan 8.230 nan 0.000 0.410 378 N N 0.540 119.263 118.700 0.038 0.000 2.708 378 N HA 0.468 5.207 4.740 -0.000 0.000 0.257 378 N C -1.887 173.644 175.510 0.035 0.000 1.373 378 N CA -0.741 52.361 53.050 0.087 0.000 0.843 378 N CB 2.907 41.516 38.487 0.204 0.000 1.503 378 N HN 0.709 nan 8.380 nan 0.000 0.504 379 N N -0.487 118.234 118.700 0.035 0.000 2.555 379 N HA 0.152 4.892 4.740 -0.000 0.000 0.265 379 N C -1.431 174.093 175.510 0.023 0.000 1.135 379 N CA -0.297 52.750 53.050 -0.005 0.000 0.925 379 N CB 2.039 40.476 38.487 -0.084 0.000 1.662 379 N HN 0.526 nan 8.380 nan 0.000 0.489 380 T N 1.531 116.101 114.554 0.028 0.000 2.940 380 T HA 0.187 4.537 4.350 -0.000 0.000 0.309 380 T C 1.250 175.985 174.700 0.058 0.000 1.056 380 T CA 0.166 62.263 62.100 -0.005 0.000 1.137 380 T CB 1.288 70.061 68.868 -0.158 0.000 0.976 380 T HN 0.621 nan 8.240 nan 0.000 0.547 381 A N 2.766 125.587 122.820 0.002 0.000 1.901 381 A HA 0.570 4.889 4.320 -0.000 0.000 0.210 381 A C 0.568 178.164 177.584 0.020 0.000 1.208 381 A CA 0.391 52.432 52.037 0.005 0.000 0.644 381 A CB 0.095 19.066 19.000 -0.049 0.000 0.863 381 A HN 0.684 nan 8.150 nan 0.000 0.454 382 L N -1.778 119.403 121.223 -0.071 0.000 2.735 382 L HA 0.585 4.925 4.340 -0.000 0.000 0.258 382 L C -1.552 175.279 176.870 -0.064 0.000 0.920 382 L CA -0.402 54.376 54.840 -0.103 0.000 0.958 382 L CB 1.709 43.746 42.059 -0.037 0.000 1.499 382 L HN 0.277 nan 8.230 nan 0.000 0.441 383 A N 2.053 124.813 122.820 -0.100 0.000 2.355 383 A HA 0.891 5.211 4.320 -0.000 0.000 0.317 383 A C -0.411 177.170 177.584 -0.004 0.000 1.094 383 A CA -0.088 51.959 52.037 0.017 0.000 0.764 383 A CB 1.704 20.708 19.000 0.007 0.000 1.230 383 A HN 0.631 nan 8.150 nan 0.000 0.448 384 T N -0.324 114.288 114.554 0.097 0.000 2.912 384 T HA 0.732 5.082 4.350 -0.000 0.000 0.288 384 T C -2.395 172.363 174.700 0.097 0.000 1.030 384 T CA -1.766 60.361 62.100 0.045 0.000 1.020 384 T CB 2.100 71.008 68.868 0.067 0.000 1.056 384 T HN 0.330 nan 8.240 nan 0.000 0.480 385 P HA 0.178 nan 4.420 nan 0.000 0.261 385 P C 1.177 178.303 177.300 -0.290 0.000 1.268 385 P CA -0.217 62.712 63.100 -0.285 0.000 0.833 385 P CB 0.243 31.537 31.700 -0.677 0.000 1.231 386 R N 0.531 120.861 120.500 -0.283 0.000 2.117 386 R HA -0.148 4.191 4.340 -0.000 0.000 0.243 386 R C 1.954 178.105 176.300 -0.249 0.000 1.143 386 R CA 1.320 57.247 56.100 -0.289 0.000 0.968 386 R CB -0.904 29.224 30.300 -0.287 0.000 0.863 386 R HN 0.023 nan 8.270 nan 0.000 0.444 387 I N 0.880 121.329 120.570 -0.202 0.000 2.493 387 I HA -0.155 4.015 4.170 -0.000 0.000 0.254 387 I C 1.693 177.700 176.117 -0.183 0.000 1.160 387 I CA 1.086 62.282 61.300 -0.172 0.000 1.445 387 I CB -0.047 37.867 38.000 -0.145 0.000 1.086 387 I HN 0.254 nan 8.210 nan 0.000 0.433 388 L N -0.040 121.063 121.223 -0.199 0.000 2.046 388 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 388 L C 2.682 179.446 176.870 -0.177 0.000 1.077 388 L CA 1.296 56.041 54.840 -0.159 0.000 0.747 388 L CB -0.965 41.016 42.059 -0.130 0.000 0.896 388 L HN 0.270 nan 8.230 nan 0.000 0.432 389 A N -0.311 122.315 122.820 -0.325 0.000 1.927 389 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 389 A C 2.187 179.606 177.584 -0.274 0.000 1.185 389 A CA 2.318 54.048 52.037 -0.512 0.000 0.639 389 A CB -0.475 17.932 19.000 -0.988 0.000 0.820 389 A HN 0.336 nan 8.150 nan 0.000 0.451 390 M N -0.904 118.562 119.600 -0.222 0.000 2.236 390 M HA 0.101 4.581 4.480 -0.000 0.000 0.266 390 M C 1.993 178.195 176.300 -0.163 0.000 1.070 390 M CA 0.979 56.183 55.300 -0.161 0.000 1.137 390 M CB -0.465 32.059 32.600 -0.126 0.000 1.378 390 M HN 0.357 nan 8.290 nan 0.000 0.426 391 L N -0.677 120.458 121.223 -0.147 0.000 2.017 391 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 391 L C 2.241 179.068 176.870 -0.072 0.000 1.073 391 L CA 1.224 55.981 54.840 -0.139 0.000 0.745 391 L CB -0.750 41.330 42.059 0.035 0.000 0.894 391 L HN 0.297 nan 8.230 nan 0.000 0.432 392 L N -0.656 120.574 121.223 0.011 0.000 1.994 392 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 392 L C 2.610 179.523 176.870 0.072 0.000 1.071 392 L CA 1.484 56.374 54.840 0.084 0.000 0.745 392 L CB -0.683 41.444 42.059 0.113 0.000 0.892 392 L HN 0.287 nan 8.230 nan 0.000 0.431 393 E N 0.037 120.250 120.200 0.020 0.000 2.077 393 E HA -0.182 4.167 4.350 -0.000 0.000 0.193 393 E C 1.893 178.563 176.600 0.117 0.000 0.989 393 E CA 1.052 57.465 56.400 0.023 0.000 0.800 393 E CB -0.195 29.490 29.700 -0.025 0.000 0.746 393 E HN 0.512 nan 8.360 nan 0.000 0.452 394 N N 0.262 118.987 118.700 0.043 0.000 2.354 394 N HA -0.067 4.672 4.740 -0.000 0.000 0.179 394 N C 0.918 176.529 175.510 0.168 0.000 1.021 394 N CA 0.827 53.926 53.050 0.082 0.000 0.887 394 N CB 0.056 38.455 38.487 -0.147 0.000 0.974 394 N HN 0.379 nan 8.380 nan 0.000 0.437 395 H N 0.168 119.366 119.070 0.213 0.000 2.542 395 H HA 0.107 4.663 4.556 -0.000 0.000 0.283 395 H C 0.246 175.707 175.328 0.222 0.000 1.059 395 H CA -0.491 55.667 56.048 0.184 0.000 1.162 395 H CB 0.505 30.336 29.762 0.115 0.000 1.539 395 H HN 0.296 nan 8.280 nan 0.000 0.543 396 Q N 1.368 121.391 119.800 0.372 0.000 2.352 396 Q HA 0.249 4.588 4.340 -0.000 0.000 0.260 396 Q C -0.691 175.555 176.000 0.410 0.000 0.976 396 Q CA 0.035 56.027 55.803 0.315 0.000 0.881 396 Q CB 1.407 30.278 28.738 0.221 0.000 1.235 396 Q HN 0.324 nan 8.270 nan 0.000 0.419 397 L N 1.548 122.891 121.223 0.200 0.000 2.331 397 L HA 0.202 4.542 4.340 -0.000 0.000 0.268 397 L C 1.568 178.206 176.870 -0.388 0.000 1.015 397 L CA -0.799 54.078 54.840 0.062 0.000 0.807 397 L CB 1.022 43.102 42.059 0.035 0.000 1.293 397 L HN 0.847 nan 8.230 nan 0.000 0.451 398 Q N 0.546 119.964 119.800 -0.637 0.000 2.096 398 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 398 Q C 0.975 176.635 176.000 -0.567 0.000 0.982 398 Q CA 2.382 57.578 55.803 -1.011 0.000 0.850 398 Q CB 0.081 28.529 28.738 -0.483 0.000 0.901 398 Q HN 0.833 nan 8.270 nan 0.000 0.422 399 D N -1.965 118.246 120.400 -0.315 0.000 2.378 399 D HA 0.052 4.692 4.640 -0.000 0.000 0.227 399 D C 0.991 177.180 176.300 -0.185 0.000 1.012 399 D CA 0.807 54.687 54.000 -0.201 0.000 0.905 399 D CB -0.182 40.542 40.800 -0.126 0.000 0.895 399 D HN 0.432 nan 8.370 nan 0.000 0.532 400 G N 0.579 109.252 108.800 -0.212 0.000 2.162 400 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 400 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 400 G C 0.289 175.128 174.900 -0.101 0.000 0.976 400 G CA 0.275 45.278 45.100 -0.162 0.000 0.655 400 G HN 0.762 nan 8.290 nan 0.000 0.533 401 R N -0.854 119.626 120.500 -0.033 0.000 2.720 401 R HA 0.794 5.133 4.340 -0.000 0.000 0.272 401 R C -0.832 175.566 176.300 0.164 0.000 0.991 401 R CA -0.845 55.320 56.100 0.108 0.000 1.010 401 R CB 1.997 32.354 30.300 0.095 0.000 1.141 401 R HN 0.191 nan 8.270 nan 0.000 0.494 402 V N 2.053 122.118 119.914 0.251 0.000 2.459 402 V HA 0.405 4.525 4.120 -0.000 0.000 0.295 402 V C 0.321 176.454 176.094 0.066 0.000 1.029 402 V CA -0.952 61.455 62.300 0.178 0.000 0.874 402 V CB 1.498 33.434 31.823 0.188 0.000 0.985 402 V HN 0.707 nan 8.190 nan 0.000 0.438 403 R N 2.322 122.872 120.500 0.083 0.000 2.594 403 R HA 0.505 4.845 4.340 -0.000 0.000 0.272 403 R C -0.943 175.311 176.300 -0.077 0.000 1.074 403 R CA -0.295 55.803 56.100 -0.004 0.000 1.105 403 R CB 1.196 31.505 30.300 0.014 0.000 1.008 403 R HN 0.556 nan 8.270 nan 0.000 0.472 404 V N 6.258 126.094 119.914 -0.130 0.000 2.407 404 V HA 0.257 4.377 4.120 -0.000 0.000 0.278 404 V C -1.994 174.010 176.094 -0.150 0.000 1.037 404 V CA -1.991 60.231 62.300 -0.131 0.000 0.900 404 V CB 1.399 33.139 31.823 -0.137 0.000 0.983 404 V HN 0.810 nan 8.190 nan 0.000 0.459 405 P HA 0.049 nan 4.420 nan 0.000 0.268 405 P C 0.741 177.974 177.300 -0.113 0.000 1.208 405 P CA -0.127 62.852 63.100 -0.201 0.000 0.777 405 P CB 0.484 32.076 31.700 -0.179 0.000 0.875 406 Q N 2.028 121.779 119.800 -0.083 0.000 2.096 406 Q HA -0.245 4.095 4.340 -0.000 0.000 0.208 406 Q C 2.076 178.068 176.000 -0.012 0.000 0.993 406 Q CA 2.514 58.296 55.803 -0.035 0.000 0.862 406 Q CB -1.433 27.296 28.738 -0.015 0.000 0.915 406 Q HN 0.619 nan 8.270 nan 0.000 0.416 407 A N 0.068 122.868 122.820 -0.034 0.000 2.024 407 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 407 A C 2.053 179.623 177.584 -0.024 0.000 1.164 407 A CA 1.265 53.294 52.037 -0.013 0.000 0.643 407 A CB -0.403 18.551 19.000 -0.077 0.000 0.806 407 A HN 0.306 nan 8.150 nan 0.000 0.451 408 L N -1.171 119.995 121.223 -0.095 0.000 2.590 408 L HA 0.228 4.567 4.340 -0.000 0.000 0.227 408 L C 1.932 178.887 176.870 0.142 0.000 1.099 408 L CA 0.140 54.976 54.840 -0.006 0.000 0.872 408 L CB -0.029 41.958 42.059 -0.120 0.000 1.088 408 L HN 0.315 nan 8.230 nan 0.000 0.479 409 I N 0.596 121.209 120.570 0.072 0.000 2.208 409 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 409 I C -0.475 175.678 176.117 0.061 0.000 1.097 409 I CA 1.470 62.797 61.300 0.045 0.000 1.363 409 I CB -1.148 36.858 38.000 0.010 0.000 1.051 409 I HN 0.223 nan 8.210 nan 0.000 0.413 410 P HA -0.162 nan 4.420 nan 0.000 0.220 410 P C 1.139 178.353 177.300 -0.143 0.000 1.148 410 P CA 1.477 64.552 63.100 -0.041 0.000 0.803 410 P CB -0.075 31.583 31.700 -0.070 0.000 0.782 411 Y N -2.532 117.785 120.300 0.029 0.000 2.475 411 Y HA 0.036 4.586 4.550 -0.000 0.000 0.289 411 Y C 2.317 178.237 175.900 0.032 0.000 1.121 411 Y CA 0.768 58.892 58.100 0.040 0.000 1.257 411 Y CB -0.423 38.071 38.460 0.056 0.000 1.026 411 Y HN -0.093 nan 8.280 nan 0.000 0.555 412 M N -2.090 117.597 119.600 0.145 0.000 2.552 412 M HA 0.280 4.759 4.480 -0.000 0.000 0.264 412 M C 2.018 178.330 176.300 0.021 0.000 1.159 412 M CA 1.282 56.627 55.300 0.074 0.000 1.176 412 M CB -0.576 32.040 32.600 0.026 0.000 1.327 412 M HN 0.359 nan 8.290 nan 0.000 0.481 413 G N 1.524 110.330 108.800 0.009 0.000 2.258 413 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.233 413 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.233 413 G C 0.309 175.202 174.900 -0.012 0.000 1.006 413 G CA 0.613 45.709 45.100 -0.007 0.000 0.620 413 G HN 0.490 nan 8.290 nan 0.000 0.511 414 K N 0.140 120.528 120.400 -0.020 0.000 2.340 414 K HA 0.792 5.112 4.320 -0.000 0.000 0.244 414 K C 0.402 176.977 176.600 -0.043 0.000 0.973 414 K CA -0.663 55.606 56.287 -0.030 0.000 0.828 414 K CB 1.993 34.472 32.500 -0.036 0.000 1.226 414 K HN 0.083 nan 8.250 nan 0.000 0.437 415 E N 0.288 120.464 120.200 -0.040 0.000 2.400 415 E HA 0.054 4.404 4.350 -0.000 0.000 0.195 415 E C -0.267 176.295 176.600 -0.063 0.000 1.012 415 E CA 0.188 56.561 56.400 -0.046 0.000 0.875 415 E CB 0.676 30.358 29.700 -0.030 0.000 0.859 415 E HN 0.265 nan 8.360 nan 0.000 0.498 416 V N 1.774 121.653 119.914 -0.060 0.000 2.808 416 V HA 0.171 4.291 4.120 -0.000 0.000 0.308 416 V C -0.794 175.265 176.094 -0.057 0.000 1.099 416 V CA -0.915 61.356 62.300 -0.048 0.000 0.920 416 V CB 2.239 34.059 31.823 -0.006 0.000 1.014 416 V HN 0.036 nan 8.190 nan 0.000 0.425 417 L N 3.763 124.939 121.223 -0.078 0.000 2.360 417 L HA 0.388 4.728 4.340 -0.000 0.000 0.276 417 L C 0.362 177.364 176.870 0.219 0.000 1.121 417 L CA 0.676 55.477 54.840 -0.066 0.000 0.845 417 L CB 0.549 42.422 42.059 -0.310 0.000 1.143 417 L HN 0.664 nan 8.230 nan 0.000 0.452 418 E N 5.705 126.049 120.200 0.240 0.000 2.179 418 E HA 0.385 4.735 4.350 -0.000 0.000 0.275 418 E C -2.223 174.608 176.600 0.385 0.000 0.945 418 E CA -1.895 54.652 56.400 0.246 0.000 0.792 418 E CB 1.180 30.951 29.700 0.118 0.000 1.125 418 E HN 0.376 nan 8.360 nan 0.000 0.397 419 P HA -0.090 nan 4.420 nan 0.000 0.269 419 P C 0.203 177.540 177.300 0.063 0.000 1.215 419 P CA -0.029 63.029 63.100 -0.070 0.000 0.780 419 P CB 0.802 32.383 31.700 -0.199 0.000 0.898 420 C N 0.389 119.717 119.300 0.048 0.000 2.503 420 C HA 0.652 5.112 4.460 -0.000 0.000 0.344 420 C C 1.196 176.197 174.990 0.018 0.000 1.610 420 C CA 1.039 60.099 59.018 0.070 0.000 2.351 420 C CB -0.651 27.171 27.740 0.137 0.000 2.044 420 C HN 0.811 nan 8.230 nan 0.000 0.680 421 G N 0.000 108.809 108.800 0.014 0.000 5.446 421 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 421 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 421 G CA 0.000 45.107 45.100 0.011 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925