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 1set_1_B 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 0.000 176.081 176.300 -0.365 0.000 1.140 1 M CA 0.000 54.884 55.300 -0.694 0.000 0.988 1 M CB 0.000 32.297 32.600 -0.506 0.000 1.302 2 V N 2.447 122.264 119.914 -0.161 0.000 2.769 2 V HA 0.513 4.633 4.120 0.000 0.000 0.312 2 V C -0.861 175.166 176.094 -0.111 0.000 1.058 2 V CA -0.522 61.753 62.300 -0.042 0.000 0.952 2 V CB 2.125 33.905 31.823 -0.072 0.000 1.019 2 V HN 0.862 nan 8.190 nan 0.000 0.445 3 D N 2.680 123.058 120.400 -0.038 0.000 2.346 3 D HA 0.023 4.663 4.640 0.000 0.000 0.260 3 D C 0.812 177.061 176.300 -0.085 0.000 1.252 3 D CA -0.041 53.938 54.000 -0.035 0.000 0.895 3 D CB 1.179 42.010 40.800 0.052 0.000 1.097 3 D HN 0.413 nan 8.370 nan 0.000 0.489 4 L N 5.155 126.323 121.223 -0.091 0.000 2.187 4 L HA -0.171 4.169 4.340 0.000 0.000 0.213 4 L C 1.891 178.730 176.870 -0.052 0.000 1.100 4 L CA 1.794 56.576 54.840 -0.097 0.000 0.765 4 L CB -0.171 41.847 42.059 -0.068 0.000 0.904 4 L HN 0.373 nan 8.230 nan 0.000 0.437 5 K N -1.328 119.067 120.400 -0.009 0.000 2.097 5 K HA -0.079 4.242 4.320 0.000 0.000 0.205 5 K C 2.095 178.729 176.600 0.056 0.000 1.050 5 K CA 0.754 57.055 56.287 0.023 0.000 0.938 5 K CB -0.107 32.416 32.500 0.037 0.000 0.718 5 K HN 0.133 nan 8.250 nan 0.000 0.442 6 R N 0.970 121.525 120.500 0.092 0.000 2.153 6 R HA 0.055 4.395 4.340 0.000 0.000 0.218 6 R C 2.138 178.588 176.300 0.250 0.000 1.072 6 R CA 0.611 56.836 56.100 0.208 0.000 0.990 6 R CB -0.524 29.980 30.300 0.341 0.000 0.889 6 R HN 0.260 nan 8.270 nan 0.000 0.452 7 L N 0.084 121.289 121.223 -0.031 0.000 2.046 7 L HA -0.168 4.173 4.340 0.000 0.000 0.208 7 L C 2.420 179.296 176.870 0.010 0.000 1.077 7 L CA 1.411 56.130 54.840 -0.202 0.000 0.747 7 L CB -0.096 41.731 42.059 -0.387 0.000 0.896 7 L HN 0.071 nan 8.230 nan 0.000 0.432 8 R N -1.053 119.453 120.500 0.010 0.000 2.073 8 R HA -0.134 4.206 4.340 0.000 0.000 0.229 8 R C 2.312 178.651 176.300 0.064 0.000 1.120 8 R CA 1.097 57.215 56.100 0.030 0.000 0.967 8 R CB 0.013 30.322 30.300 0.016 0.000 0.862 8 R HN 0.288 nan 8.270 nan 0.000 0.436 9 Q N 0.065 119.915 119.800 0.083 0.000 2.311 9 Q HA -0.020 4.321 4.340 0.000 0.000 0.203 9 Q C -0.035 176.032 176.000 0.112 0.000 0.954 9 Q CA 1.115 56.971 55.803 0.088 0.000 0.885 9 Q CB 0.726 29.513 28.738 0.082 0.000 0.963 9 Q HN 0.410 nan 8.270 nan 0.000 0.471 10 E N 0.067 120.371 120.200 0.172 0.000 4.170 10 E HA 0.116 4.466 4.350 0.000 0.000 0.215 10 E C -2.015 174.742 176.600 0.260 0.000 1.119 10 E CA -1.018 55.487 56.400 0.175 0.000 1.396 10 E CB 0.938 30.727 29.700 0.147 0.000 1.182 10 E HN 0.106 nan 8.360 nan 0.000 0.438 11 P HA -0.233 nan 4.420 nan 0.000 0.223 11 P C 1.264 178.725 177.300 0.269 0.000 1.144 11 P CA 1.169 64.445 63.100 0.293 0.000 0.783 11 P CB 0.327 32.127 31.700 0.167 0.000 0.771 12 E N 0.442 120.746 120.200 0.174 0.000 2.077 12 E HA -0.102 4.248 4.350 0.000 0.000 0.193 12 E C 2.012 178.655 176.600 0.072 0.000 0.989 12 E CA 0.946 57.420 56.400 0.124 0.000 0.800 12 E CB -1.571 28.162 29.700 0.055 0.000 0.746 12 E HN 0.078 nan 8.360 nan 0.000 0.452 13 V N 0.549 120.454 119.914 -0.016 0.000 2.392 13 V HA -0.227 3.893 4.120 0.000 0.000 0.249 13 V C 2.169 178.113 176.094 -0.250 0.000 1.059 13 V CA 1.857 64.044 62.300 -0.189 0.000 1.051 13 V CB -0.643 30.985 31.823 -0.326 0.000 0.658 13 V HN 0.135 nan 8.190 nan 0.000 0.455 14 F N -1.157 118.851 119.950 0.096 0.000 2.367 14 F HA -0.033 4.495 4.527 0.001 0.000 0.298 14 F C 2.381 178.255 175.800 0.124 0.000 1.094 14 F CA 1.407 59.466 58.000 0.098 0.000 1.409 14 F CB -0.611 38.439 39.000 0.083 0.000 1.064 14 F HN 0.241 nan 8.300 nan 0.000 0.528 15 H N 0.977 120.144 119.070 0.161 0.000 2.395 15 H HA -0.064 4.492 4.556 0.001 0.000 0.299 15 H C 2.448 177.806 175.328 0.050 0.000 1.070 15 H CA 1.591 57.698 56.048 0.097 0.000 1.356 15 H CB -0.149 29.655 29.762 0.070 0.000 1.401 15 H HN 0.203 nan 8.280 nan 0.000 0.524 16 R N 0.321 120.905 120.500 0.141 0.000 2.066 16 R HA -0.081 4.259 4.340 0.000 0.000 0.232 16 R C 2.382 178.714 176.300 0.054 0.000 1.131 16 R CA 1.337 57.459 56.100 0.037 0.000 0.955 16 R CB -0.407 29.875 30.300 -0.031 0.000 0.851 16 R HN 0.259 nan 8.270 nan 0.000 0.432 17 A N 1.506 124.359 122.820 0.056 0.000 1.892 17 A HA -0.191 4.130 4.320 0.000 0.000 0.218 17 A C 2.227 179.863 177.584 0.087 0.000 1.188 17 A CA 1.861 53.935 52.037 0.061 0.000 0.631 17 A CB -0.648 18.414 19.000 0.104 0.000 0.822 17 A HN 0.422 nan 8.150 nan 0.000 0.447 18 I N -1.428 119.221 120.570 0.131 0.000 2.286 18 I HA -0.244 3.926 4.170 0.000 0.000 0.248 18 I C 2.798 178.974 176.117 0.098 0.000 1.115 18 I CA 1.416 62.780 61.300 0.106 0.000 1.392 18 I CB -0.279 37.774 38.000 0.088 0.000 1.065 18 I HN 0.294 nan 8.210 nan 0.000 0.418 19 R N 0.632 121.214 120.500 0.135 0.000 2.055 19 R HA -0.111 4.229 4.340 0.000 0.000 0.228 19 R C 2.138 178.464 176.300 0.043 0.000 1.143 19 R CA 1.398 57.560 56.100 0.104 0.000 0.945 19 R CB -0.089 30.269 30.300 0.096 0.000 0.841 19 R HN 0.367 nan 8.270 nan 0.000 0.429 20 E N -0.052 120.161 120.200 0.021 0.000 2.347 20 E HA -0.116 4.234 4.350 0.000 0.000 0.196 20 E C 1.393 177.989 176.600 -0.007 0.000 1.008 20 E CA 0.720 57.115 56.400 -0.009 0.000 0.852 20 E CB 0.250 29.928 29.700 -0.037 0.000 0.783 20 E HN 0.226 nan 8.360 nan 0.000 0.505 21 K N -0.397 120.007 120.400 0.007 0.000 2.367 21 K HA 0.077 4.397 4.320 0.000 0.000 0.194 21 K C 0.836 177.443 176.600 0.011 0.000 1.027 21 K CA 0.453 56.742 56.287 0.004 0.000 1.075 21 K CB 0.890 33.390 32.500 0.001 0.000 0.845 21 K HN 0.171 nan 8.250 nan 0.000 0.529 22 G N 1.879 110.691 108.800 0.020 0.000 2.176 22 G HA2 -0.225 3.735 3.960 0.000 0.000 0.252 22 G HA3 -0.225 3.735 3.960 0.000 0.000 0.252 22 G C 0.056 174.967 174.900 0.018 0.000 1.024 22 G CA -0.028 45.084 45.100 0.020 0.000 0.755 22 G HN 0.114 nan 8.290 nan 0.000 0.507 23 V N 0.588 120.515 119.914 0.022 0.000 2.555 23 V HA 0.542 4.662 4.120 0.000 0.000 0.286 23 V C 1.198 177.300 176.094 0.014 0.000 1.044 23 V CA 0.237 62.546 62.300 0.016 0.000 1.026 23 V CB 1.502 33.342 31.823 0.029 0.000 0.981 23 V HN 1.144 nan 8.190 nan 0.000 0.480 24 A N 7.381 130.204 122.820 0.006 0.000 2.981 24 A HA 0.517 4.838 4.320 0.000 0.000 0.280 24 A C -0.329 177.254 177.584 -0.002 0.000 1.743 24 A CA 0.167 52.206 52.037 0.003 0.000 1.430 24 A CB -0.598 18.402 19.000 0.001 0.000 1.085 24 A HN 0.746 nan 8.150 nan 0.000 0.597 25 L N 1.099 122.318 121.223 -0.007 0.000 2.422 25 L HA 0.437 4.777 4.340 0.000 0.000 0.264 25 L C -1.576 175.268 176.870 -0.043 0.000 0.984 25 L CA -0.815 54.015 54.840 -0.016 0.000 0.819 25 L CB 2.418 44.475 42.059 -0.003 0.000 1.330 25 L HN 0.436 nan 8.230 nan 0.000 0.410 26 D N 3.410 123.784 120.400 -0.045 0.000 2.443 26 D HA 0.149 4.789 4.640 0.000 0.000 0.221 26 D C 0.628 176.885 176.300 -0.072 0.000 1.097 26 D CA -0.392 53.568 54.000 -0.067 0.000 0.865 26 D CB 1.516 42.291 40.800 -0.042 0.000 1.034 26 D HN 0.417 nan 8.370 nan 0.000 0.511 27 L N 4.126 125.279 121.223 -0.117 0.000 2.046 27 L HA -0.067 4.274 4.340 0.000 0.000 0.208 27 L C 1.927 178.765 176.870 -0.053 0.000 1.077 27 L CA 1.791 56.581 54.840 -0.083 0.000 0.747 27 L CB -0.507 41.492 42.059 -0.100 0.000 0.896 27 L HN 0.457 nan 8.230 nan 0.000 0.432 28 E N -0.094 120.074 120.200 -0.053 0.000 2.058 28 E HA -0.212 4.138 4.350 0.000 0.000 0.194 28 E C 2.113 178.703 176.600 -0.016 0.000 0.997 28 E CA 1.711 58.100 56.400 -0.019 0.000 0.801 28 E CB -0.412 29.284 29.700 -0.008 0.000 0.746 28 E HN 0.505 nan 8.360 nan 0.000 0.450 29 A N 0.598 123.405 122.820 -0.022 0.000 1.972 29 A HA -0.104 4.216 4.320 0.000 0.000 0.219 29 A C 2.345 179.918 177.584 -0.018 0.000 1.169 29 A CA 1.354 53.382 52.037 -0.017 0.000 0.635 29 A CB -0.761 18.229 19.000 -0.017 0.000 0.810 29 A HN 0.423 nan 8.150 nan 0.000 0.446 30 L N -0.576 120.632 121.223 -0.025 0.000 1.994 30 L HA -0.129 4.211 4.340 0.000 0.000 0.208 30 L C 2.388 179.243 176.870 -0.024 0.000 1.071 30 L CA 1.497 56.320 54.840 -0.028 0.000 0.745 30 L CB -0.239 41.797 42.059 -0.037 0.000 0.892 30 L HN 0.403 nan 8.230 nan 0.000 0.431 31 L N -0.361 120.849 121.223 -0.021 0.000 2.083 31 L HA -0.174 4.167 4.340 0.000 0.000 0.209 31 L C 2.800 179.665 176.870 -0.008 0.000 1.083 31 L CA 0.993 55.825 54.840 -0.013 0.000 0.752 31 L CB -0.787 41.270 42.059 -0.003 0.000 0.899 31 L HN 0.379 nan 8.230 nan 0.000 0.433 32 A N 0.092 122.908 122.820 -0.006 0.000 1.873 32 A HA -0.223 4.098 4.320 0.000 0.000 0.215 32 A C 2.190 179.770 177.584 -0.006 0.000 1.186 32 A CA 1.575 53.610 52.037 -0.003 0.000 0.616 32 A CB -0.730 18.269 19.000 -0.003 0.000 0.823 32 A HN 0.309 nan 8.150 nan 0.000 0.442 33 L N 0.465 121.683 121.223 -0.009 0.000 2.127 33 L HA -0.176 4.164 4.340 0.000 0.000 0.211 33 L C 1.904 178.768 176.870 -0.010 0.000 1.089 33 L CA 2.777 57.612 54.840 -0.009 0.000 0.757 33 L CB -0.647 41.405 42.059 -0.012 0.000 0.899 33 L HN 0.528 nan 8.230 nan 0.000 0.434 34 D N -0.855 119.537 120.400 -0.013 0.000 2.144 34 D HA -0.193 4.447 4.640 0.000 0.000 0.200 34 D C 2.234 178.529 176.300 -0.008 0.000 0.978 34 D CA 1.366 55.358 54.000 -0.014 0.000 0.833 34 D CB 0.046 40.834 40.800 -0.019 0.000 0.961 34 D HN 0.328 nan 8.370 nan 0.000 0.470 35 R N 0.126 120.623 120.500 -0.005 0.000 2.073 35 R HA -0.095 4.245 4.340 0.000 0.000 0.234 35 R C 2.405 178.704 176.300 -0.001 0.000 1.134 35 R CA 1.398 57.497 56.100 -0.002 0.000 0.952 35 R CB -0.367 29.934 30.300 0.001 0.000 0.850 35 R HN 0.350 nan 8.270 nan 0.000 0.433 36 E N 0.670 120.869 120.200 -0.002 0.000 2.085 36 E HA -0.200 4.151 4.350 0.000 0.000 0.194 36 E C 1.875 178.474 176.600 -0.002 0.000 0.994 36 E CA 1.541 57.940 56.400 -0.002 0.000 0.801 36 E CB 0.109 29.807 29.700 -0.002 0.000 0.743 36 E HN 0.106 nan 8.360 nan 0.000 0.453 37 V N 0.902 120.813 119.914 -0.004 0.000 2.261 37 V HA -0.283 3.837 4.120 0.000 0.000 0.246 37 V C 2.395 178.487 176.094 -0.002 0.000 1.047 37 V CA 2.205 64.503 62.300 -0.004 0.000 1.015 37 V CB -0.571 31.248 31.823 -0.006 0.000 0.642 37 V HN 0.343 nan 8.190 nan 0.000 0.446 38 Q N -0.769 119.030 119.800 -0.002 0.000 2.226 38 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 38 Q C 2.305 178.305 176.000 0.000 0.000 0.975 38 Q CA 1.249 57.052 55.803 -0.001 0.000 0.866 38 Q CB -0.082 28.656 28.738 -0.000 0.000 0.915 38 Q HN 0.617 nan 8.270 nan 0.000 0.440 39 E N 0.368 120.568 120.200 0.000 0.000 2.028 39 E HA -0.140 4.211 4.350 0.000 0.000 0.190 39 E C 1.993 178.593 176.600 0.001 0.000 0.984 39 E CA 0.757 57.158 56.400 0.001 0.000 0.800 39 E CB -0.158 29.542 29.700 0.001 0.000 0.758 39 E HN 0.225 nan 8.360 nan 0.000 0.448 40 L N 1.794 123.017 121.223 0.000 0.000 2.079 40 L HA -0.195 4.145 4.340 0.000 0.000 0.210 40 L C 2.388 179.258 176.870 0.001 0.000 1.081 40 L CA 1.745 56.586 54.840 0.000 0.000 0.752 40 L CB -0.663 41.396 42.059 -0.000 0.000 0.896 40 L HN 0.195 nan 8.230 nan 0.000 0.433 41 K N -0.853 119.548 120.400 0.001 0.000 2.155 41 K HA -0.154 4.166 4.320 0.000 0.000 0.203 41 K C 1.943 178.544 176.600 0.001 0.000 1.052 41 K CA 1.051 57.339 56.287 0.001 0.000 0.948 41 K CB -0.211 32.289 32.500 0.001 0.000 0.728 41 K HN 0.190 nan 8.250 nan 0.000 0.448 42 K N 0.572 120.973 120.400 0.002 0.000 1.985 42 K HA -0.017 4.303 4.320 0.000 0.000 0.210 42 K C 2.329 178.930 176.600 0.002 0.000 1.047 42 K CA 1.269 57.557 56.287 0.002 0.000 0.932 42 K CB -0.084 32.417 32.500 0.002 0.000 0.716 42 K HN 0.046 nan 8.250 nan 0.000 0.439 43 R N 0.914 121.415 120.500 0.002 0.000 2.120 43 R HA -0.099 4.241 4.340 0.000 0.000 0.234 43 R C 2.258 178.559 176.300 0.002 0.000 1.123 43 R CA 0.845 56.946 56.100 0.002 0.000 0.975 43 R CB -0.802 29.499 30.300 0.001 0.000 0.866 43 R HN 0.198 nan 8.270 nan 0.000 0.446 44 L N 1.076 122.299 121.223 0.001 0.000 2.179 44 L HA -0.069 4.271 4.340 0.000 0.000 0.208 44 L C 2.285 179.156 176.870 0.002 0.000 1.096 44 L CA 1.647 56.488 54.840 0.001 0.000 0.779 44 L CB -0.497 41.562 42.059 0.001 0.000 0.922 44 L HN 0.027 nan 8.230 nan 0.000 0.443 45 Q N -0.288 119.513 119.800 0.002 0.000 2.079 45 Q HA -0.231 4.109 4.340 0.000 0.000 0.200 45 Q C 2.122 178.123 176.000 0.002 0.000 0.974 45 Q CA 1.796 57.600 55.803 0.002 0.000 0.840 45 Q CB -0.126 28.613 28.738 0.002 0.000 0.898 45 Q HN 0.555 nan 8.270 nan 0.000 0.430 46 E N -0.665 119.536 120.200 0.002 0.000 2.031 46 E HA -0.138 4.212 4.350 0.000 0.000 0.193 46 E C 1.824 178.424 176.600 0.002 0.000 0.994 46 E CA 1.741 58.142 56.400 0.002 0.000 0.800 46 E CB -0.533 29.169 29.700 0.002 0.000 0.752 46 E HN 0.234 nan 8.360 nan 0.000 0.447 47 V N 0.819 120.734 119.914 0.001 0.000 2.332 47 V HA -0.297 3.823 4.120 0.000 0.000 0.248 47 V C 2.471 178.566 176.094 0.001 0.000 1.055 47 V CA 2.283 64.584 62.300 0.001 0.000 1.038 47 V CB -0.637 31.187 31.823 0.001 0.000 0.651 47 V HN 0.352 nan 8.190 nan 0.000 0.450 48 Q N -0.595 119.206 119.800 0.002 0.000 2.135 48 Q HA -0.190 4.150 4.340 0.000 0.000 0.204 48 Q C 2.320 178.321 176.000 0.002 0.000 0.981 48 Q CA 2.117 57.921 55.803 0.002 0.000 0.856 48 Q CB -0.313 28.426 28.738 0.002 0.000 0.902 48 Q HN 0.652 nan 8.270 nan 0.000 0.425 49 T N 0.285 114.840 114.554 0.001 0.000 2.812 49 T HA -0.136 4.214 4.350 0.000 0.000 0.264 49 T C 1.584 176.284 174.700 0.001 0.000 1.042 49 T CA 1.300 63.401 62.100 0.001 0.000 1.140 49 T CB -0.120 68.749 68.868 0.001 0.000 0.870 49 T HN 0.201 nan 8.240 nan 0.000 0.445 50 E N 1.372 121.573 120.200 0.001 0.000 2.077 50 E HA -0.084 4.266 4.350 0.000 0.000 0.193 50 E C 2.275 178.876 176.600 0.001 0.000 0.989 50 E CA 1.087 57.488 56.400 0.001 0.000 0.800 50 E CB -0.135 29.566 29.700 0.001 0.000 0.746 50 E HN 0.324 nan 8.360 nan 0.000 0.452 51 R N 0.012 120.513 120.500 0.001 0.000 2.073 51 R HA -0.165 4.176 4.340 0.000 0.000 0.234 51 R C 2.145 178.446 176.300 0.001 0.000 1.134 51 R CA 1.896 57.997 56.100 0.001 0.000 0.952 51 R CB -0.424 29.877 30.300 0.001 0.000 0.850 51 R HN 0.204 nan 8.270 nan 0.000 0.433 52 N N -0.120 118.581 118.700 0.001 0.000 2.223 52 N HA -0.218 4.522 4.740 0.000 0.000 0.185 52 N C 1.931 177.442 175.510 0.001 0.000 1.016 52 N CA 1.157 54.208 53.050 0.001 0.000 0.863 52 N CB 0.073 38.561 38.487 0.001 0.000 0.983 52 N HN 0.314 nan 8.380 nan 0.000 0.429 53 Q N -0.107 119.694 119.800 0.001 0.000 2.016 53 Q HA -0.122 4.219 4.340 0.000 0.000 0.200 53 Q C 1.848 177.849 176.000 0.001 0.000 0.978 53 Q CA 1.567 57.371 55.803 0.001 0.000 0.833 53 Q CB 0.052 28.791 28.738 0.001 0.000 0.895 53 Q HN 0.250 nan 8.270 nan 0.000 0.427 54 V N 1.186 121.100 119.914 0.001 0.000 2.343 54 V HA -0.289 3.831 4.120 0.000 0.000 0.247 54 V C 2.415 178.510 176.094 0.001 0.000 1.051 54 V CA 1.814 64.115 62.300 0.001 0.000 1.036 54 V CB -1.169 30.654 31.823 0.001 0.000 0.654 54 V HN 0.529 nan 8.190 nan 0.000 0.451 55 A N -0.253 122.568 122.820 0.001 0.000 1.908 55 A HA -0.299 4.021 4.320 0.000 0.000 0.218 55 A C 2.361 179.946 177.584 0.001 0.000 1.181 55 A CA 2.318 54.356 52.037 0.001 0.000 0.627 55 A CB -0.521 18.480 19.000 0.001 0.000 0.818 55 A HN 0.539 nan 8.150 nan 0.000 0.445 56 K N -0.457 119.944 120.400 0.001 0.000 2.097 56 K HA -0.139 4.181 4.320 0.000 0.000 0.206 56 K C 2.238 178.838 176.600 0.001 0.000 1.049 56 K CA 1.299 57.586 56.287 0.001 0.000 0.933 56 K CB -0.151 32.349 32.500 0.001 0.000 0.717 56 K HN 0.473 nan 8.250 nan 0.000 0.442 57 R N 0.117 120.617 120.500 0.001 0.000 2.096 57 R HA -0.084 4.256 4.340 0.000 0.000 0.235 57 R C 2.258 178.558 176.300 0.001 0.000 1.127 57 R CA 1.250 57.350 56.100 0.001 0.000 0.968 57 R CB -0.333 29.967 30.300 0.001 0.000 0.861 57 R HN 0.033 nan 8.270 nan 0.000 0.440 58 V N 1.497 121.412 119.914 0.001 0.000 2.282 58 V HA -0.185 3.935 4.120 0.000 0.000 0.249 58 V C -0.831 175.263 176.094 0.001 0.000 1.057 58 V CA 1.863 64.163 62.300 0.001 0.000 1.032 58 V CB -1.204 30.619 31.823 0.001 0.000 0.645 58 V HN 0.233 nan 8.190 nan 0.000 0.447 59 P HA -0.132 nan 4.420 nan 0.000 0.220 59 P C 1.154 178.454 177.300 0.000 0.000 1.144 59 P CA 1.232 64.332 63.100 0.001 0.000 0.800 59 P CB -0.013 31.687 31.700 0.001 0.000 0.772 60 K N -1.593 118.807 120.400 0.000 0.000 2.399 60 K HA 0.339 4.659 4.320 0.000 0.000 0.204 60 K C 0.413 177.013 176.600 0.000 0.000 1.023 60 K CA -0.196 56.091 56.287 0.000 0.000 1.127 60 K CB 0.540 33.041 32.500 0.000 0.000 0.856 60 K HN -0.008 nan 8.250 nan 0.000 0.514 61 A N 3.927 126.748 122.820 0.000 0.000 2.252 61 A HA 0.399 4.719 4.320 0.000 0.000 0.309 61 A C -2.229 175.355 177.584 0.000 0.000 1.285 61 A CA -1.416 50.621 52.037 0.000 0.000 0.900 61 A CB 0.188 19.188 19.000 0.000 0.000 1.157 61 A HN -0.057 nan 8.150 nan 0.000 0.536 62 P HA 0.118 nan 4.420 nan 0.000 0.267 62 P C -2.235 175.065 177.300 0.000 0.000 1.200 62 P CA -0.961 62.139 63.100 0.000 0.000 0.772 62 P CB 0.498 32.198 31.700 0.000 0.000 0.855 63 P HA -0.207 nan 4.420 nan 0.000 0.215 63 P C 1.604 178.904 177.300 0.000 0.000 1.157 63 P CA 1.670 64.770 63.100 0.000 0.000 0.874 63 P CB -0.153 31.547 31.700 0.000 0.000 0.790 64 E N 0.750 120.950 120.200 0.000 0.000 2.153 64 E HA -0.221 4.129 4.350 0.000 0.000 0.194 64 E C 1.439 178.039 176.600 0.000 0.000 0.988 64 E CA 1.539 57.939 56.400 0.000 0.000 0.811 64 E CB -0.913 28.787 29.700 0.000 0.000 0.746 64 E HN 0.383 nan 8.360 nan 0.000 0.466 65 E N 0.557 120.758 120.200 0.000 0.000 2.340 65 E HA -0.034 4.316 4.350 0.000 0.000 0.194 65 E C 1.778 178.379 176.600 0.000 0.000 0.996 65 E CA 0.678 57.078 56.400 0.000 0.000 0.869 65 E CB 0.165 29.865 29.700 0.000 0.000 0.835 65 E HN 0.323 nan 8.360 nan 0.000 0.493 66 K N 1.041 121.441 120.400 0.000 0.000 2.296 66 K HA -0.013 4.307 4.320 0.000 0.000 0.200 66 K C 1.496 178.096 176.600 0.000 0.000 1.048 66 K CA 0.915 57.203 56.287 0.000 0.000 0.966 66 K CB 0.037 32.537 32.500 0.000 0.000 0.754 66 K HN -0.003 nan 8.250 nan 0.000 0.466 67 E N 0.914 121.114 120.200 0.000 0.000 2.077 67 E HA -0.162 4.188 4.350 0.000 0.000 0.193 67 E C 2.099 178.700 176.600 0.000 0.000 0.989 67 E CA 1.210 57.610 56.400 0.000 0.000 0.800 67 E CB -0.211 29.489 29.700 0.000 0.000 0.746 67 E HN 0.506 nan 8.360 nan 0.000 0.452 68 A N 0.996 123.816 122.820 0.001 0.000 1.877 68 A HA -0.177 4.143 4.320 0.000 0.000 0.216 68 A C 2.086 179.671 177.584 0.001 0.000 1.186 68 A CA 1.107 53.144 52.037 0.001 0.000 0.620 68 A CB -0.532 18.468 19.000 0.001 0.000 0.822 68 A HN 0.123 nan 8.150 nan 0.000 0.443 69 L N -0.246 120.978 121.223 0.001 0.000 2.187 69 L HA -0.111 4.229 4.340 0.000 0.000 0.213 69 L C 2.250 179.121 176.870 0.001 0.000 1.100 69 L CA 1.370 56.211 54.840 0.001 0.000 0.765 69 L CB -0.592 41.467 42.059 0.001 0.000 0.904 69 L HN 0.418 nan 8.230 nan 0.000 0.437 70 I N -1.564 119.006 120.570 0.001 0.000 2.500 70 I HA -0.182 3.988 4.170 0.000 0.000 0.252 70 I C 2.488 178.605 176.117 0.001 0.000 1.142 70 I CA 0.805 62.105 61.300 0.001 0.000 1.451 70 I CB -0.411 37.590 38.000 0.001 0.000 1.093 70 I HN 0.177 nan 8.210 nan 0.000 0.430 71 A N 0.906 123.726 122.820 0.001 0.000 1.877 71 A HA -0.241 4.079 4.320 0.000 0.000 0.216 71 A C 2.353 179.938 177.584 0.001 0.000 1.186 71 A CA 1.752 53.789 52.037 0.001 0.000 0.620 71 A CB -0.495 18.506 19.000 0.001 0.000 0.822 71 A HN 0.227 nan 8.150 nan 0.000 0.443 72 R N -0.536 119.965 120.500 0.001 0.000 2.075 72 R HA -0.030 4.310 4.340 0.000 0.000 0.232 72 R C 2.289 178.590 176.300 0.001 0.000 1.126 72 R CA 1.524 57.624 56.100 0.001 0.000 0.963 72 R CB -0.965 29.336 30.300 0.001 0.000 0.858 72 R HN 0.481 nan 8.270 nan 0.000 0.435 73 G N 1.249 110.049 108.800 0.001 0.000 2.440 73 G HA2 -0.348 3.612 3.960 0.000 0.000 0.218 73 G HA3 -0.348 3.612 3.960 0.000 0.000 0.218 73 G C 1.174 176.075 174.900 0.001 0.000 1.154 73 G CA 1.367 46.467 45.100 0.001 0.000 0.767 73 G HN 0.509 nan 8.290 nan 0.000 0.552 74 K N 0.362 120.763 120.400 0.001 0.000 2.103 74 K HA 0.344 4.664 4.320 0.000 0.000 0.204 74 K C 2.610 179.210 176.600 0.001 0.000 1.052 74 K CA 1.238 57.526 56.287 0.001 0.000 0.945 74 K CB -0.379 32.121 32.500 0.001 0.000 0.722 74 K HN 0.169 nan 8.250 nan 0.000 0.443 75 A N 1.832 124.652 122.820 0.001 0.000 1.898 75 A HA -0.057 4.264 4.320 0.000 0.000 0.216 75 A C 2.212 179.796 177.584 0.001 0.000 1.181 75 A CA 0.919 52.956 52.037 0.001 0.000 0.620 75 A CB -0.437 18.563 19.000 0.001 0.000 0.819 75 A HN 0.226 nan 8.150 nan 0.000 0.442 76 L N -0.187 121.037 121.223 0.001 0.000 2.017 76 L HA -0.132 4.209 4.340 0.000 0.000 0.208 76 L C 2.728 179.599 176.870 0.001 0.000 1.073 76 L CA 2.175 57.016 54.840 0.001 0.000 0.745 76 L CB -1.966 40.094 42.059 0.001 0.000 0.894 76 L HN 0.437 nan 8.230 nan 0.000 0.432 77 G N -1.137 107.664 108.800 0.001 0.000 2.442 77 G HA2 -0.252 3.709 3.960 0.000 0.000 0.219 77 G HA3 -0.252 3.709 3.960 0.000 0.000 0.219 77 G C 1.552 176.453 174.900 0.001 0.000 1.141 77 G CA 0.524 45.624 45.100 0.001 0.000 0.763 77 G HN 0.434 nan 8.290 nan 0.000 0.554 78 E N 0.110 120.311 120.200 0.001 0.000 2.072 78 E HA -0.089 4.261 4.350 0.000 0.000 0.191 78 E C 2.514 179.115 176.600 0.001 0.000 0.985 78 E CA 0.981 57.382 56.400 0.001 0.000 0.801 78 E CB -0.012 29.688 29.700 0.001 0.000 0.750 78 E HN 0.374 nan 8.360 nan 0.000 0.452 79 E N 0.621 120.821 120.200 0.001 0.000 2.153 79 E HA -0.135 4.215 4.350 0.000 0.000 0.194 79 E C 1.769 178.370 176.600 0.001 0.000 0.988 79 E CA 1.005 57.406 56.400 0.001 0.000 0.811 79 E CB -0.146 29.554 29.700 0.001 0.000 0.746 79 E HN 0.253 nan 8.360 nan 0.000 0.466 80 A N 0.848 123.669 122.820 0.001 0.000 1.972 80 A HA -0.233 4.087 4.320 0.000 0.000 0.219 80 A C 2.055 179.640 177.584 0.001 0.000 1.169 80 A CA 1.671 53.709 52.037 0.001 0.000 0.635 80 A CB -0.349 18.652 19.000 0.001 0.000 0.810 80 A HN 0.128 nan 8.150 nan 0.000 0.446 81 K N -0.855 119.546 120.400 0.001 0.000 2.031 81 K HA -0.147 4.173 4.320 0.000 0.000 0.205 81 K C 2.272 178.873 176.600 0.001 0.000 1.049 81 K CA 1.226 57.514 56.287 0.001 0.000 0.939 81 K CB -0.110 32.390 32.500 0.001 0.000 0.717 81 K HN 0.253 nan 8.250 nan 0.000 0.438 82 R N 0.526 121.027 120.500 0.001 0.000 2.083 82 R HA -0.111 4.229 4.340 0.000 0.000 0.237 82 R C 2.186 178.487 176.300 0.001 0.000 1.137 82 R CA 1.172 57.273 56.100 0.001 0.000 0.951 82 R CB -0.662 29.638 30.300 0.001 0.000 0.851 82 R HN 0.142 nan 8.270 nan 0.000 0.434 83 L N 0.850 122.074 121.223 0.001 0.000 2.056 83 L HA -0.112 4.228 4.340 0.000 0.000 0.207 83 L C 1.935 178.806 176.870 0.001 0.000 1.078 83 L CA 1.707 56.547 54.840 0.001 0.000 0.749 83 L CB -0.696 41.363 42.059 0.001 0.000 0.901 83 L HN 0.244 nan 8.230 nan 0.000 0.433 84 E N -0.751 119.450 120.200 0.001 0.000 2.038 84 E HA -0.289 4.061 4.350 0.000 0.000 0.195 84 E C 2.083 178.684 176.600 0.001 0.000 1.000 84 E CA 1.521 57.922 56.400 0.002 0.000 0.803 84 E CB -0.135 29.566 29.700 0.002 0.000 0.750 84 E HN 0.522 nan 8.360 nan 0.000 0.448 85 E N 0.563 120.764 120.200 0.001 0.000 2.038 85 E HA -0.251 4.100 4.350 0.000 0.000 0.195 85 E C 2.065 178.665 176.600 0.001 0.000 1.000 85 E CA 1.257 57.658 56.400 0.001 0.000 0.803 85 E CB -0.135 29.565 29.700 0.001 0.000 0.750 85 E HN 0.219 nan 8.360 nan 0.000 0.448 86 A N 0.970 123.791 122.820 0.000 0.000 1.933 86 A HA -0.147 4.173 4.320 0.000 0.000 0.218 86 A C 2.140 179.724 177.584 -0.000 0.000 1.175 86 A CA 1.275 53.312 52.037 -0.000 0.000 0.628 86 A CB -0.619 18.381 19.000 -0.000 0.000 0.814 86 A HN 0.394 nan 8.150 nan 0.000 0.444 87 L N -0.278 120.945 121.223 -0.000 0.000 1.994 87 L HA -0.122 4.218 4.340 0.000 0.000 0.208 87 L C 2.422 179.292 176.870 -0.000 0.000 1.071 87 L CA 2.517 57.357 54.840 -0.000 0.000 0.745 87 L CB -0.648 41.412 42.059 0.000 0.000 0.892 87 L HN 0.378 nan 8.230 nan 0.000 0.431 88 R N 0.491 120.991 120.500 0.001 0.000 2.103 88 R HA -0.239 4.101 4.340 0.000 0.000 0.242 88 R C 2.172 178.472 176.300 0.000 0.000 1.142 88 R CA 2.082 58.183 56.100 0.001 0.000 0.960 88 R CB -0.592 29.709 30.300 0.002 0.000 0.858 88 R HN 0.747 nan 8.270 nan 0.000 0.439 89 E N -0.634 119.566 120.200 -0.000 0.000 2.274 89 E HA -0.103 4.248 4.350 0.000 0.000 0.194 89 E C 1.533 178.131 176.600 -0.002 0.000 0.996 89 E CA 1.094 57.494 56.400 -0.001 0.000 0.840 89 E CB -0.006 29.694 29.700 -0.001 0.000 0.772 89 E HN 0.126 nan 8.360 nan 0.000 0.491 90 K N 0.858 121.256 120.400 -0.003 0.000 2.137 90 K HA 0.038 4.358 4.320 0.000 0.000 0.202 90 K C 1.904 178.500 176.600 -0.005 0.000 1.052 90 K CA 1.300 57.584 56.287 -0.004 0.000 0.961 90 K CB 0.062 32.560 32.500 -0.004 0.000 0.741 90 K HN 0.230 nan 8.250 nan 0.000 0.452 91 E N 0.037 120.234 120.200 -0.004 0.000 2.110 91 E HA -0.168 4.183 4.350 0.000 0.000 0.193 91 E C 1.920 178.517 176.600 -0.006 0.000 0.988 91 E CA 1.051 57.448 56.400 -0.006 0.000 0.804 91 E CB -0.107 29.591 29.700 -0.003 0.000 0.745 91 E HN 0.324 nan 8.360 nan 0.000 0.458 92 A N 1.617 124.435 122.820 -0.003 0.000 1.877 92 A HA -0.174 4.146 4.320 0.000 0.000 0.216 92 A C 2.059 179.640 177.584 -0.005 0.000 1.186 92 A CA 1.163 53.198 52.037 -0.003 0.000 0.620 92 A CB -0.352 18.648 19.000 -0.000 0.000 0.822 92 A HN 0.076 nan 8.150 nan 0.000 0.443 93 R N -1.174 119.323 120.500 -0.006 0.000 2.148 93 R HA -0.067 4.273 4.340 0.000 0.000 0.227 93 R C 2.005 178.298 176.300 -0.011 0.000 1.103 93 R CA 1.181 57.276 56.100 -0.008 0.000 0.983 93 R CB -0.481 29.814 30.300 -0.008 0.000 0.874 93 R HN 0.484 nan 8.270 nan 0.000 0.451 94 L N 1.425 122.640 121.223 -0.013 0.000 2.027 94 L HA -0.125 4.216 4.340 0.000 0.000 0.206 94 L C 2.309 179.166 176.870 -0.022 0.000 1.074 94 L CA 1.819 56.648 54.840 -0.018 0.000 0.745 94 L CB -0.480 41.568 42.059 -0.018 0.000 0.898 94 L HN 0.031 nan 8.230 nan 0.000 0.433 95 E N 0.090 120.279 120.200 -0.018 0.000 2.065 95 E HA -0.298 4.052 4.350 0.000 0.000 0.201 95 E C 2.096 178.684 176.600 -0.019 0.000 1.016 95 E CA 1.653 58.040 56.400 -0.020 0.000 0.818 95 E CB -0.379 29.314 29.700 -0.012 0.000 0.749 95 E HN 0.594 nan 8.360 nan 0.000 0.453 96 A N 0.727 123.540 122.820 -0.012 0.000 1.873 96 A HA -0.212 4.108 4.320 0.000 0.000 0.218 96 A C 2.316 179.895 177.584 -0.008 0.000 1.193 96 A CA 1.704 53.737 52.037 -0.008 0.000 0.629 96 A CB -0.790 18.206 19.000 -0.007 0.000 0.826 96 A HN 0.260 nan 8.150 nan 0.000 0.447 97 L N -1.210 120.006 121.223 -0.013 0.000 2.083 97 L HA -0.123 4.217 4.340 0.000 0.000 0.209 97 L C 2.349 179.209 176.870 -0.017 0.000 1.083 97 L CA 1.239 56.071 54.840 -0.013 0.000 0.752 97 L CB -0.833 41.214 42.059 -0.019 0.000 0.899 97 L HN 0.300 nan 8.230 nan 0.000 0.433 98 L N -1.198 120.006 121.223 -0.032 0.000 2.141 98 L HA -0.150 4.190 4.340 0.000 0.000 0.209 98 L C 2.213 179.057 176.870 -0.043 0.000 1.094 98 L CA 1.440 56.250 54.840 -0.051 0.000 0.763 98 L CB -0.641 41.377 42.059 -0.069 0.000 0.908 98 L HN 0.187 nan 8.230 nan 0.000 0.437 99 L N -1.280 119.923 121.223 -0.034 0.000 2.456 99 L HA -0.193 4.148 4.340 0.000 0.000 0.224 99 L C 1.912 178.813 176.870 0.051 0.000 1.148 99 L CA 0.724 55.548 54.840 -0.026 0.000 0.825 99 L CB -0.281 41.771 42.059 -0.011 0.000 0.937 99 L HN 0.420 nan 8.230 nan 0.000 0.450 100 Q N -1.029 118.806 119.800 0.059 0.000 2.282 100 Q HA 0.114 4.454 4.340 0.000 0.000 0.206 100 Q C 0.174 176.257 176.000 0.138 0.000 0.878 100 Q CA -0.181 55.679 55.803 0.096 0.000 0.944 100 Q CB 0.865 29.630 28.738 0.045 0.000 1.100 100 Q HN 0.230 nan 8.270 nan 0.000 0.509 101 V N 4.657 124.655 119.914 0.139 0.000 2.479 101 V HA 0.108 4.229 4.120 0.000 0.000 0.281 101 V C -1.843 174.460 176.094 0.347 0.000 1.031 101 V CA -1.162 61.236 62.300 0.162 0.000 1.038 101 V CB 0.186 32.031 31.823 0.036 0.000 0.981 101 V HN 0.111 nan 8.190 nan 0.000 0.478 102 P HA 0.260 nan 4.420 nan 0.000 0.279 102 P C -0.647 176.803 177.300 0.250 0.000 1.252 102 P CA -0.690 62.525 63.100 0.191 0.000 0.811 102 P CB 1.425 33.174 31.700 0.083 0.000 1.035 103 L N 3.900 125.133 121.223 0.017 0.000 2.380 103 L HA 0.380 4.720 4.340 0.000 0.000 0.273 103 L C -2.356 174.591 176.870 0.127 0.000 1.138 103 L CA -2.115 52.809 54.840 0.140 0.000 0.832 103 L CB -0.176 41.862 42.059 -0.034 0.000 1.124 103 L HN 0.235 nan 8.230 nan 0.000 0.454 104 P HA 0.097 nan 4.420 nan 0.000 0.264 104 P C -2.522 174.852 177.300 0.123 0.000 1.193 104 P CA -0.581 62.560 63.100 0.068 0.000 0.763 104 P CB -0.077 31.615 31.700 -0.014 0.000 0.810 105 P HA 0.036 nan 4.420 nan 0.000 0.274 105 P C -0.252 176.789 177.300 -0.433 0.000 1.246 105 P CA -0.487 62.534 63.100 -0.133 0.000 0.795 105 P CB 0.503 32.123 31.700 -0.132 0.000 1.006 106 W N 3.082 123.696 121.300 -1.143 0.000 2.137 106 W HA 0.130 4.790 4.660 0.000 0.000 0.344 106 W C -1.961 174.164 176.519 -0.658 0.000 1.286 106 W CA -1.874 54.551 57.345 -1.534 0.000 1.240 106 W CB -1.361 27.020 29.460 -1.799 0.000 1.141 106 W HN 0.350 nan 8.180 nan 0.000 0.579 107 P HA -0.105 nan 4.420 nan 0.000 0.221 107 P C 1.396 178.158 177.300 -0.898 0.000 1.145 107 P CA 2.307 65.075 63.100 -0.554 0.000 0.795 107 P CB -0.239 31.306 31.700 -0.258 0.000 0.775 108 G N -0.592 107.123 108.800 -1.809 0.000 3.141 108 G HA2 0.328 4.288 3.960 0.000 0.000 0.218 108 G HA3 0.328 4.288 3.960 0.000 0.000 0.218 108 G C 0.568 174.586 174.900 -1.470 0.000 1.170 108 G CA 0.115 44.188 45.100 -1.711 0.000 0.769 108 G HN 0.451 nan 8.290 nan 0.000 0.546 109 A N 1.205 123.155 122.820 -1.450 0.000 2.450 109 A HA 0.599 4.919 4.320 0.000 0.000 0.255 109 A C -2.076 175.304 177.584 -0.342 0.000 1.096 109 A CA -1.069 50.614 52.037 -0.590 0.000 0.778 109 A CB 0.316 19.095 19.000 -0.369 0.000 1.031 109 A HN 0.152 nan 8.150 nan 0.000 0.494 110 P HA 0.155 nan 4.420 nan 0.000 0.265 110 P C -0.752 176.483 177.300 -0.109 0.000 1.187 110 P CA 0.137 63.168 63.100 -0.115 0.000 0.766 110 P CB 0.452 32.121 31.700 -0.052 0.000 0.820 111 V N 3.114 122.970 119.914 -0.098 0.000 2.384 111 V HA 0.818 4.939 4.120 0.000 0.000 0.287 111 V C 0.705 176.769 176.094 -0.051 0.000 1.020 111 V CA 0.579 62.830 62.300 -0.080 0.000 0.850 111 V CB 0.710 32.478 31.823 -0.091 0.000 0.987 111 V HN 1.010 nan 8.190 nan 0.000 0.436 112 G N 3.532 112.311 108.800 -0.036 0.000 2.325 112 G HA2 0.412 4.372 3.960 0.000 0.000 0.285 112 G HA3 0.412 4.372 3.960 0.000 0.000 0.285 112 G C -0.078 174.816 174.900 -0.010 0.000 1.303 112 G CA -0.132 44.956 45.100 -0.021 0.000 0.970 112 G HN 1.024 nan 8.290 nan 0.000 0.490 113 G N -1.217 107.583 108.800 -0.001 0.000 2.504 113 G HA2 0.504 4.464 3.960 0.000 0.000 0.257 113 G HA3 0.504 4.464 3.960 0.000 0.000 0.257 113 G C 0.892 175.797 174.900 0.010 0.000 1.451 113 G CA 0.736 45.841 45.100 0.008 0.000 1.059 113 G HN 0.802 nan 8.290 nan 0.000 0.550 114 E N 0.612 120.822 120.200 0.017 0.000 2.219 114 E HA -0.187 4.164 4.350 0.000 0.000 0.198 114 E C 2.087 178.696 176.600 0.014 0.000 0.998 114 E CA 1.238 57.649 56.400 0.018 0.000 0.818 114 E CB 0.041 29.754 29.700 0.022 0.000 0.741 114 E HN 0.663 nan 8.360 nan 0.000 0.477 115 E N 1.078 121.284 120.200 0.011 0.000 2.418 115 E HA -0.068 4.282 4.350 0.000 0.000 0.197 115 E C 1.384 177.985 176.600 0.001 0.000 1.026 115 E CA 0.918 57.323 56.400 0.008 0.000 0.862 115 E CB 0.093 29.797 29.700 0.007 0.000 0.799 115 E HN 0.204 nan 8.360 nan 0.000 0.518 116 A N 0.789 123.607 122.820 -0.002 0.000 2.308 116 A HA 0.109 4.429 4.320 0.000 0.000 0.217 116 A C 0.551 178.131 177.584 -0.007 0.000 1.216 116 A CA -0.465 51.566 52.037 -0.011 0.000 0.864 116 A CB -0.605 18.382 19.000 -0.021 0.000 0.902 116 A HN 0.193 nan 8.150 nan 0.000 0.499 117 N N 0.732 119.434 118.700 0.003 0.000 2.492 117 N HA 0.230 4.971 4.740 0.000 0.000 0.260 117 N C -0.079 175.434 175.510 0.006 0.000 1.215 117 N CA 0.088 53.144 53.050 0.011 0.000 0.923 117 N CB 0.491 38.988 38.487 0.017 0.000 1.092 117 N HN 0.355 nan 8.380 nan 0.000 0.448 118 R N 1.905 122.412 120.500 0.011 0.000 2.476 118 R HA 0.092 4.432 4.340 0.000 0.000 0.305 118 R C -0.897 175.403 176.300 -0.000 0.000 0.965 118 R CA -0.598 55.504 56.100 0.003 0.000 0.867 118 R CB 1.094 31.397 30.300 0.006 0.000 1.176 118 R HN 0.587 nan 8.270 nan 0.000 0.447 119 E N 4.365 124.552 120.200 -0.022 0.000 2.417 119 E HA -0.046 4.304 4.350 0.000 0.000 0.261 119 E C 0.151 176.737 176.600 -0.024 0.000 1.000 119 E CA 0.185 56.558 56.400 -0.045 0.000 0.919 119 E CB 0.682 30.333 29.700 -0.082 0.000 0.955 119 E HN 0.669 nan 8.360 nan 0.000 0.455 120 I N 3.638 124.200 120.570 -0.012 0.000 2.810 120 I HA 0.105 4.275 4.170 0.000 0.000 0.262 120 I C 0.878 176.990 176.117 -0.008 0.000 1.131 120 I CA 0.337 61.642 61.300 0.008 0.000 1.453 120 I CB 0.261 38.282 38.000 0.035 0.000 1.161 120 I HN 0.431 nan 8.210 nan 0.000 0.444 121 K N 0.651 121.036 120.400 -0.026 0.000 2.568 121 K HA 0.486 4.806 4.320 0.000 0.000 0.273 121 K C -1.190 175.357 176.600 -0.088 0.000 0.951 121 K CA -0.727 55.538 56.287 -0.037 0.000 0.854 121 K CB 2.531 35.032 32.500 0.001 0.000 1.424 121 K HN -0.160 nan 8.250 nan 0.000 0.427 122 R N 2.740 123.164 120.500 -0.127 0.000 2.532 122 R HA 0.549 4.889 4.340 0.000 0.000 0.297 122 R C -1.837 174.313 176.300 -0.251 0.000 0.984 122 R CA -0.646 55.340 56.100 -0.191 0.000 0.884 122 R CB 1.931 32.141 30.300 -0.150 0.000 1.182 122 R HN 0.325 nan 8.270 nan 0.000 0.442 123 V N 3.996 123.636 119.914 -0.456 0.000 2.577 123 V HA 0.740 4.860 4.120 0.000 0.000 0.303 123 V C 0.264 176.110 176.094 -0.413 0.000 1.042 123 V CA 0.103 62.122 62.300 -0.469 0.000 0.872 123 V CB 1.333 32.741 31.823 -0.691 0.000 0.998 123 V HN 1.119 nan 8.190 nan 0.000 0.423 124 G N 3.476 112.145 108.800 -0.219 0.000 2.795 124 G HA2 0.389 4.349 3.960 0.000 0.000 0.664 124 G HA3 0.389 4.349 3.960 0.000 0.000 0.664 124 G C -0.096 174.734 174.900 -0.117 0.000 1.381 124 G CA -0.112 44.904 45.100 -0.140 0.000 0.853 124 G HN 1.630 nan 8.290 nan 0.000 0.545 125 G N -0.703 108.027 108.800 -0.117 0.000 2.672 125 G HA2 0.846 4.806 3.960 0.000 0.000 0.292 125 G HA3 0.846 4.806 3.960 0.000 0.000 0.292 125 G C -2.877 171.887 174.900 -0.227 0.000 1.375 125 G CA -0.639 44.359 45.100 -0.170 0.000 0.890 125 G HN 0.697 nan 8.290 nan 0.000 0.476 126 P HA 0.083 nan 4.420 nan 0.000 0.261 126 P C -2.008 175.123 177.300 -0.282 0.000 1.158 126 P CA -0.289 62.559 63.100 -0.421 0.000 0.758 126 P CB 0.032 31.364 31.700 -0.613 0.000 0.763 127 P HA 0.091 nan 4.420 nan 0.000 0.272 127 P C -0.573 176.372 177.300 -0.590 0.000 1.230 127 P CA 0.065 62.885 63.100 -0.468 0.000 0.788 127 P CB 0.870 32.219 31.700 -0.585 0.000 0.949 128 E N 1.674 121.586 120.200 -0.479 0.000 2.055 128 E HA 0.266 4.616 4.350 0.000 0.000 0.274 128 E C -0.627 175.744 176.600 -0.381 0.000 0.949 128 E CA -0.418 55.781 56.400 -0.335 0.000 0.775 128 E CB 0.206 29.797 29.700 -0.183 0.000 1.097 128 E HN 0.320 nan 8.360 nan 0.000 0.404 129 F N 1.602 121.421 119.950 -0.217 0.000 2.420 129 F HA 0.011 4.539 4.527 0.000 0.000 0.352 129 F C 1.902 177.498 175.800 -0.339 0.000 1.108 129 F CA -0.379 57.362 58.000 -0.431 0.000 1.162 129 F CB 1.136 39.736 39.000 -0.667 0.000 1.118 129 F HN 0.312 nan 8.300 nan 0.000 0.510 130 S N 2.730 118.409 115.700 -0.035 0.000 2.461 130 S HA -0.000 4.470 4.470 0.000 0.000 0.228 130 S C 0.223 174.895 174.600 0.121 0.000 1.005 130 S CA 0.123 58.368 58.200 0.075 0.000 0.942 130 S CB -0.755 62.546 63.200 0.169 0.000 0.776 130 S HN 0.443 nan 8.310 nan 0.000 0.514 131 F N 0.412 120.429 119.950 0.113 0.000 2.557 131 F HA 0.864 5.391 4.527 0.000 0.000 0.336 131 F C -3.341 172.467 175.800 0.012 0.000 1.058 131 F CA -3.586 54.440 58.000 0.042 0.000 0.988 131 F CB -0.352 38.657 39.000 0.016 0.000 1.275 131 F HN -0.297 nan 8.300 nan 0.000 0.488 132 P HA 0.231 nan 4.420 nan 0.000 0.276 132 P C -2.607 174.684 177.300 -0.014 0.000 1.253 132 P CA -0.892 62.212 63.100 0.008 0.000 0.766 132 P CB 0.374 32.099 31.700 0.043 0.000 0.845 133 P HA 0.193 nan 4.420 nan 0.000 0.284 133 P C -0.896 176.296 177.300 -0.179 0.000 1.253 133 P CA -0.295 62.541 63.100 -0.439 0.000 0.800 133 P CB 0.793 31.878 31.700 -1.026 0.000 0.961 134 L N 3.458 124.617 121.223 -0.107 0.000 2.399 134 L HA 0.287 4.627 4.340 0.000 0.000 0.266 134 L C 1.092 177.916 176.870 -0.077 0.000 1.114 134 L CA 0.029 54.824 54.840 -0.076 0.000 0.804 134 L CB 0.001 42.026 42.059 -0.057 0.000 1.146 134 L HN 0.482 nan 8.230 nan 0.000 0.451 135 D N -0.617 119.740 120.400 -0.072 0.000 2.398 135 D HA 0.018 4.659 4.640 0.000 0.000 0.247 135 D C 1.040 177.305 176.300 -0.058 0.000 1.227 135 D CA 0.183 54.148 54.000 -0.057 0.000 0.980 135 D CB 0.223 40.968 40.800 -0.092 0.000 1.106 135 D HN 0.720 nan 8.370 nan 0.000 0.493 136 H N -1.360 117.642 119.070 -0.112 0.000 2.389 136 H HA -0.043 4.513 4.556 0.000 0.000 0.299 136 H C 1.580 176.779 175.328 -0.215 0.000 1.081 136 H CA 1.227 57.197 56.048 -0.131 0.000 1.345 136 H CB -0.521 29.152 29.762 -0.148 0.000 1.393 136 H HN 0.136 nan 8.280 nan 0.000 0.520 137 V N 1.338 120.844 119.914 -0.680 0.000 2.343 137 V HA -0.247 3.874 4.120 0.000 0.000 0.247 137 V C 2.859 178.760 176.094 -0.322 0.000 1.051 137 V CA 1.754 63.686 62.300 -0.613 0.000 1.036 137 V CB -1.088 30.440 31.823 -0.492 0.000 0.654 137 V HN 0.769 nan 8.190 nan 0.000 0.451 138 A N -0.673 122.028 122.820 -0.199 0.000 2.015 138 A HA -0.112 4.209 4.320 0.000 0.000 0.219 138 A C 2.084 179.593 177.584 -0.124 0.000 1.163 138 A CA 1.360 53.325 52.037 -0.120 0.000 0.646 138 A CB -0.424 18.520 19.000 -0.093 0.000 0.806 138 A HN 0.407 nan 8.150 nan 0.000 0.448 139 L N -0.876 120.278 121.223 -0.115 0.000 2.156 139 L HA 0.036 4.376 4.340 0.000 0.000 0.208 139 L C 2.434 179.231 176.870 -0.121 0.000 1.095 139 L CA 1.523 56.312 54.840 -0.084 0.000 0.770 139 L CB -0.651 41.429 42.059 0.036 0.000 0.914 139 L HN 0.409 nan 8.230 nan 0.000 0.439 140 M N -1.733 117.785 119.600 -0.136 0.000 2.193 140 M HA -0.105 4.376 4.480 0.000 0.000 0.265 140 M C 2.014 178.272 176.300 -0.069 0.000 1.071 140 M CA 1.006 56.231 55.300 -0.125 0.000 1.140 140 M CB -0.256 31.967 32.600 -0.628 0.000 1.369 140 M HN 0.091 nan 8.290 nan 0.000 0.423 141 E N 0.919 121.090 120.200 -0.049 0.000 2.023 141 E HA -0.239 4.111 4.350 0.000 0.000 0.196 141 E C 1.866 178.443 176.600 -0.037 0.000 1.003 141 E CA 1.432 57.882 56.400 0.083 0.000 0.809 141 E CB -0.434 29.308 29.700 0.070 0.000 0.755 141 E HN 0.435 nan 8.360 nan 0.000 0.449 142 K N 0.478 120.802 120.400 -0.125 0.000 2.063 142 K HA -0.110 4.211 4.320 0.000 0.000 0.208 142 K C 1.517 177.940 176.600 -0.294 0.000 1.048 142 K CA 1.360 57.538 56.287 -0.182 0.000 0.928 142 K CB 0.047 32.430 32.500 -0.194 0.000 0.713 142 K HN 0.017 nan 8.250 nan 0.000 0.442 143 N N -0.490 117.895 118.700 -0.525 0.000 2.280 143 N HA 0.026 4.766 4.740 0.000 0.000 0.192 143 N C 0.110 175.242 175.510 -0.631 0.000 1.109 143 N CA 0.848 53.403 53.050 -0.825 0.000 0.855 143 N CB 1.106 38.476 38.487 -1.862 0.000 0.974 143 N HN 0.430 nan 8.380 nan 0.000 0.482 144 G N 0.835 109.470 108.800 -0.274 0.000 2.256 144 G HA2 -0.192 3.768 3.960 0.000 0.000 0.272 144 G HA3 -0.192 3.768 3.960 0.000 0.000 0.272 144 G C 0.147 175.147 174.900 0.168 0.000 1.076 144 G CA -0.215 44.876 45.100 -0.015 0.000 0.882 144 G HN 0.388 nan 8.290 nan 0.000 0.497 145 W N -0.842 120.552 121.300 0.157 0.000 3.220 145 W HA 0.452 5.113 4.660 0.000 0.000 0.328 145 W C 0.749 177.440 176.519 0.286 0.000 1.205 145 W CA -0.256 57.184 57.345 0.158 0.000 1.773 145 W CB -0.334 29.176 29.460 0.083 0.000 1.086 145 W HN 0.642 nan 8.180 nan 0.000 0.622 146 W N 0.486 121.938 121.300 0.254 0.000 3.040 146 W HA 0.590 5.250 4.660 0.000 0.000 0.344 146 W C -1.156 175.442 176.519 0.133 0.000 1.201 146 W CA -2.627 54.836 57.345 0.197 0.000 1.119 146 W CB 0.285 29.861 29.460 0.194 0.000 1.478 146 W HN -0.201 nan 8.180 nan 0.000 0.586 147 E N 1.890 122.125 120.200 0.057 0.000 2.207 147 E HA 0.463 4.813 4.350 0.000 0.000 0.250 147 E C -2.117 174.258 176.600 -0.374 0.000 0.890 147 E CA -2.652 53.673 56.400 -0.124 0.000 0.749 147 E CB 1.717 31.410 29.700 -0.013 0.000 1.193 147 E HN 0.037 nan 8.360 nan 0.000 0.423 148 P HA -0.032 nan 4.420 nan 0.000 0.226 148 P C 0.588 177.723 177.300 -0.275 0.000 1.153 148 P CA 0.652 63.415 63.100 -0.562 0.000 0.777 148 P CB 0.280 31.692 31.700 -0.481 0.000 0.794 149 R N -0.960 119.435 120.500 -0.175 0.000 2.237 149 R HA -0.035 4.305 4.340 0.000 0.000 0.219 149 R C 1.939 178.188 176.300 -0.084 0.000 1.080 149 R CA 0.419 56.458 56.100 -0.102 0.000 0.995 149 R CB -0.927 29.334 30.300 -0.065 0.000 0.875 149 R HN 0.163 nan 8.270 nan 0.000 0.462 150 I N 0.531 121.041 120.570 -0.100 0.000 2.399 150 I HA -0.302 3.868 4.170 0.000 0.000 0.254 150 I C 2.136 178.230 176.117 -0.038 0.000 1.146 150 I CA 1.365 62.630 61.300 -0.058 0.000 1.412 150 I CB -0.297 37.670 38.000 -0.054 0.000 1.076 150 I HN 0.026 nan 8.210 nan 0.000 0.432 151 S N -0.080 115.582 115.700 -0.064 0.000 2.419 151 S HA -0.227 4.243 4.470 0.000 0.000 0.233 151 S C 1.882 176.478 174.600 -0.006 0.000 1.016 151 S CA 1.613 59.796 58.200 -0.028 0.000 0.974 151 S CB -0.237 62.927 63.200 -0.061 0.000 0.786 151 S HN 0.752 nan 8.310 nan 0.000 0.492 152 Q N 0.176 119.965 119.800 -0.018 0.000 2.354 152 Q HA 0.202 4.542 4.340 0.000 0.000 0.203 152 Q C 1.740 177.741 176.000 0.002 0.000 0.933 152 Q CA 1.044 56.843 55.803 -0.005 0.000 0.901 152 Q CB -0.726 28.003 28.738 -0.014 0.000 1.007 152 Q HN 0.381 nan 8.270 nan 0.000 0.495 153 V N 0.417 120.331 119.914 -0.000 0.000 2.283 153 V HA -0.126 3.995 4.120 0.000 0.000 0.243 153 V C 1.710 177.815 176.094 0.020 0.000 1.039 153 V CA 1.935 64.238 62.300 0.005 0.000 1.016 153 V CB -0.431 31.393 31.823 0.001 0.000 0.650 153 V HN 0.455 nan 8.190 nan 0.000 0.449 154 S N -1.485 114.236 115.700 0.036 0.000 2.540 154 S HA 0.531 5.002 4.470 0.000 0.000 0.222 154 S C 0.754 175.419 174.600 0.107 0.000 1.008 154 S CA 0.549 58.790 58.200 0.069 0.000 0.939 154 S CB 0.963 64.215 63.200 0.086 0.000 0.865 154 S HN 1.011 nan 8.310 nan 0.000 0.499 155 G N 2.027 110.882 108.800 0.092 0.000 2.582 155 G HA2 -0.139 3.821 3.960 0.000 0.000 0.222 155 G HA3 -0.139 3.821 3.960 0.000 0.000 0.222 155 G C -0.202 174.780 174.900 0.136 0.000 1.311 155 G CA -0.548 44.621 45.100 0.116 0.000 0.915 155 G HN 0.797 nan 8.290 nan 0.000 0.528 156 S N -0.585 115.207 115.700 0.154 0.000 2.655 156 S HA 0.686 5.156 4.470 0.000 0.000 0.265 156 S C 0.858 175.549 174.600 0.152 0.000 1.240 156 S CA 0.632 58.908 58.200 0.127 0.000 0.986 156 S CB 1.110 64.370 63.200 0.101 0.000 0.985 156 S HN 1.620 nan 8.310 nan 0.000 0.562 157 R N -0.338 120.196 120.500 0.056 0.000 3.336 157 R HA -0.112 4.228 4.340 0.000 0.000 0.260 157 R C -0.881 175.457 176.300 0.065 0.000 1.032 157 R CA 0.697 56.763 56.100 -0.056 0.000 0.693 157 R CB -2.554 27.506 30.300 -0.399 0.000 1.134 157 R HN 0.686 nan 8.270 nan 0.000 0.433 158 S N -0.250 115.554 115.700 0.173 0.000 2.569 158 S HA 0.789 5.259 4.470 0.000 0.000 0.280 158 S C -0.955 173.823 174.600 0.296 0.000 1.111 158 S CA -0.905 57.435 58.200 0.234 0.000 0.887 158 S CB 1.998 65.299 63.200 0.170 0.000 1.095 158 S HN 0.373 nan 8.310 nan 0.000 0.476 159 Y N -1.238 119.140 120.300 0.130 0.000 2.597 159 Y HA 0.897 5.448 4.550 0.000 0.000 0.340 159 Y C -1.141 174.853 175.900 0.156 0.000 1.097 159 Y CA -1.517 56.694 58.100 0.185 0.000 1.037 159 Y CB 0.894 39.513 38.460 0.265 0.000 1.305 159 Y HN 0.855 nan 8.280 nan 0.000 0.463 160 A N 3.267 126.160 122.820 0.121 0.000 2.459 160 A HA 0.755 5.075 4.320 0.000 0.000 0.296 160 A C -1.999 175.722 177.584 0.229 0.000 1.039 160 A CA -0.745 51.299 52.037 0.011 0.000 0.698 160 A CB 1.030 20.027 19.000 -0.004 0.000 1.261 160 A HN 0.819 nan 8.150 nan 0.000 0.405 161 L N 1.101 122.466 121.223 0.237 0.000 2.313 161 L HA 0.719 5.059 4.340 0.000 0.000 0.268 161 L C -0.080 176.923 176.870 0.223 0.000 1.010 161 L CA -0.805 54.221 54.840 0.310 0.000 0.814 161 L CB 2.272 44.515 42.059 0.306 0.000 1.304 161 L HN 0.764 nan 8.230 nan 0.000 0.441 162 K N -0.294 120.252 120.400 0.244 0.000 2.508 162 K HA 0.651 4.971 4.320 0.000 0.000 0.260 162 K C -0.020 176.709 176.600 0.214 0.000 0.949 162 K CA -0.252 56.160 56.287 0.208 0.000 0.834 162 K CB 2.152 34.788 32.500 0.227 0.000 1.365 162 K HN 0.760 nan 8.250 nan 0.000 0.437 163 G N 1.927 110.826 108.800 0.165 0.000 2.596 163 G HA2 -0.361 3.600 3.960 0.000 0.000 0.295 163 G HA3 -0.361 3.600 3.960 0.000 0.000 0.295 163 G C 0.390 175.341 174.900 0.085 0.000 1.240 163 G CA 0.729 45.922 45.100 0.156 0.000 0.985 163 G HN 0.739 nan 8.290 nan 0.000 0.555 164 D N -0.273 120.160 120.400 0.055 0.000 2.221 164 D HA -0.004 4.637 4.640 0.000 0.000 0.204 164 D C 2.436 178.594 176.300 -0.236 0.000 0.982 164 D CA 1.247 55.196 54.000 -0.085 0.000 0.857 164 D CB -0.098 40.643 40.800 -0.099 0.000 0.934 164 D HN 0.291 nan 8.370 nan 0.000 0.475 165 L N -0.168 120.816 121.223 -0.398 0.000 2.395 165 L HA 0.151 4.491 4.340 0.000 0.000 0.218 165 L C 1.913 178.771 176.870 -0.020 0.000 1.130 165 L CA 0.652 55.306 54.840 -0.309 0.000 0.826 165 L CB -0.266 41.525 42.059 -0.447 0.000 0.941 165 L HN -0.065 nan 8.230 nan 0.000 0.451 166 A N -0.858 121.983 122.820 0.036 0.000 1.854 166 A HA -0.110 4.210 4.320 0.000 0.000 0.214 166 A C 2.024 179.646 177.584 0.062 0.000 1.192 166 A CA 1.452 53.537 52.037 0.081 0.000 0.611 166 A CB -0.691 18.361 19.000 0.087 0.000 0.832 166 A HN 0.311 nan 8.150 nan 0.000 0.442 167 L N -1.590 119.664 121.223 0.051 0.000 2.012 167 L HA -0.158 4.182 4.340 0.000 0.000 0.210 167 L C 2.381 179.313 176.870 0.102 0.000 1.073 167 L CA 1.715 56.590 54.840 0.058 0.000 0.748 167 L CB -1.476 40.610 42.059 0.046 0.000 0.891 167 L HN 0.566 nan 8.230 nan 0.000 0.431 168 Y N 0.761 121.013 120.300 -0.080 0.000 2.165 168 Y HA -0.276 4.275 4.550 0.001 0.000 0.286 168 Y C 2.689 178.545 175.900 -0.073 0.000 1.155 168 Y CA 1.865 59.908 58.100 -0.095 0.000 1.164 168 Y CB -0.349 38.011 38.460 -0.167 0.000 0.978 168 Y HN 0.405 nan 8.280 nan 0.000 0.513 169 E N -0.281 119.917 120.200 -0.004 0.000 2.058 169 E HA -0.223 4.127 4.350 0.000 0.000 0.194 169 E C 2.185 178.735 176.600 -0.083 0.000 0.997 169 E CA 1.788 58.152 56.400 -0.059 0.000 0.801 169 E CB -0.335 29.397 29.700 0.052 0.000 0.746 169 E HN 0.528 nan 8.360 nan 0.000 0.450 170 L N 0.029 121.221 121.223 -0.051 0.000 2.109 170 L HA -0.084 4.257 4.340 0.000 0.000 0.207 170 L C 2.661 179.501 176.870 -0.049 0.000 1.086 170 L CA 0.806 55.599 54.840 -0.077 0.000 0.760 170 L CB -0.473 41.560 42.059 -0.043 0.000 0.910 170 L HN 0.211 nan 8.230 nan 0.000 0.437 171 A N 0.371 123.193 122.820 0.002 0.000 1.933 171 A HA -0.146 4.174 4.320 0.000 0.000 0.218 171 A C 2.256 179.789 177.584 -0.084 0.000 1.175 171 A CA 1.324 53.394 52.037 0.054 0.000 0.628 171 A CB -0.610 18.482 19.000 0.153 0.000 0.814 171 A HN 0.341 nan 8.150 nan 0.000 0.444 172 L N -0.726 120.383 121.223 -0.191 0.000 2.093 172 L HA -0.152 4.188 4.340 0.000 0.000 0.208 172 L C 2.535 179.364 176.870 -0.068 0.000 1.085 172 L CA 0.893 55.608 54.840 -0.209 0.000 0.755 172 L CB -0.440 41.410 42.059 -0.349 0.000 0.904 172 L HN 0.371 nan 8.230 nan 0.000 0.435 173 L N -0.755 120.407 121.223 -0.102 0.000 2.027 173 L HA -0.191 4.150 4.340 0.000 0.000 0.206 173 L C 2.813 179.607 176.870 -0.127 0.000 1.074 173 L CA 0.870 55.642 54.840 -0.114 0.000 0.745 173 L CB -0.402 41.536 42.059 -0.202 0.000 0.898 173 L HN 0.200 nan 8.230 nan 0.000 0.433 174 R N 0.387 120.824 120.500 -0.103 0.000 2.096 174 R HA -0.232 4.108 4.340 0.000 0.000 0.235 174 R C 2.177 178.459 176.300 -0.031 0.000 1.127 174 R CA 1.664 57.745 56.100 -0.032 0.000 0.968 174 R CB -0.898 29.453 30.300 0.086 0.000 0.861 174 R HN 0.306 nan 8.270 nan 0.000 0.440 175 F N 0.523 120.253 119.950 -0.366 0.000 2.102 175 F HA -0.074 4.453 4.527 0.000 0.000 0.298 175 F C 1.941 177.621 175.800 -0.200 0.000 1.105 175 F CA 1.766 59.419 58.000 -0.577 0.000 1.239 175 F CB -0.864 37.637 39.000 -0.831 0.000 0.991 175 F HN 0.096 nan 8.300 nan 0.000 0.474 176 A N 0.529 123.145 122.820 -0.339 0.000 1.883 176 A HA -0.227 4.094 4.320 0.000 0.000 0.217 176 A C 2.265 179.738 177.584 -0.184 0.000 1.186 176 A CA 2.130 53.965 52.037 -0.337 0.000 0.624 176 A CB -1.034 17.901 19.000 -0.109 0.000 0.822 176 A HN 0.555 nan 8.150 nan 0.000 0.444 177 M N -0.155 119.381 119.600 -0.106 0.000 2.117 177 M HA -0.148 4.332 4.480 0.000 0.000 0.262 177 M C 1.258 177.538 176.300 -0.034 0.000 1.065 177 M CA 2.028 57.303 55.300 -0.041 0.000 1.114 177 M CB -0.398 32.180 32.600 -0.037 0.000 1.361 177 M HN 0.374 nan 8.290 nan 0.000 0.408 178 D N -0.873 119.506 120.400 -0.034 0.000 2.144 178 D HA -0.162 4.478 4.640 0.000 0.000 0.199 178 D C 1.758 178.032 176.300 -0.044 0.000 0.984 178 D CA 1.181 55.185 54.000 0.007 0.000 0.834 178 D CB -0.444 40.426 40.800 0.117 0.000 0.955 178 D HN 0.430 nan 8.370 nan 0.000 0.465 179 F N 0.946 120.712 119.950 -0.307 0.000 2.113 179 F HA -0.194 4.333 4.527 0.000 0.000 0.297 179 F C 2.126 177.805 175.800 -0.202 0.000 1.103 179 F CA 1.164 58.972 58.000 -0.320 0.000 1.248 179 F CB -0.101 38.544 39.000 -0.592 0.000 0.999 179 F HN -0.197 nan 8.300 nan 0.000 0.475 180 M N 0.751 120.300 119.600 -0.085 0.000 2.108 180 M HA -0.158 4.322 4.480 0.000 0.000 0.261 180 M C 2.532 178.783 176.300 -0.082 0.000 1.066 180 M CA 1.668 56.885 55.300 -0.138 0.000 1.107 180 M CB -2.129 30.433 32.600 -0.063 0.000 1.356 180 M HN 0.355 nan 8.290 nan 0.000 0.406 181 A N 1.066 123.861 122.820 -0.042 0.000 1.902 181 A HA -0.181 4.140 4.320 0.000 0.000 0.217 181 A C 2.104 179.655 177.584 -0.054 0.000 1.181 181 A CA 1.644 53.678 52.037 -0.004 0.000 0.623 181 A CB -0.641 18.364 19.000 0.007 0.000 0.818 181 A HN 0.641 nan 8.150 nan 0.000 0.443 182 R N -1.491 118.928 120.500 -0.135 0.000 2.323 182 R HA 0.098 4.438 4.340 0.000 0.000 0.198 182 R C 0.580 176.760 176.300 -0.199 0.000 0.988 182 R CA 0.345 56.357 56.100 -0.147 0.000 1.041 182 R CB -0.093 30.119 30.300 -0.146 0.000 0.926 182 R HN 0.163 nan 8.270 nan 0.000 0.476 183 R N 0.502 120.862 120.500 -0.234 0.000 2.393 183 R HA 0.145 4.485 4.340 0.000 0.000 0.244 183 R C 0.746 177.087 176.300 0.069 0.000 0.920 183 R CA 0.400 56.403 56.100 -0.161 0.000 1.076 183 R CB 0.648 30.777 30.300 -0.284 0.000 1.119 183 R HN 0.543 nan 8.270 nan 0.000 0.524 184 G N 0.822 109.659 108.800 0.060 0.000 2.141 184 G HA2 -0.275 3.685 3.960 0.000 0.000 0.242 184 G HA3 -0.275 3.685 3.960 0.000 0.000 0.242 184 G C -0.135 174.826 174.900 0.101 0.000 0.982 184 G CA -0.219 44.917 45.100 0.060 0.000 0.662 184 G HN 0.197 nan 8.290 nan 0.000 0.527 185 F N -0.572 119.359 119.950 -0.033 0.000 2.377 185 F HA 0.715 5.242 4.527 0.000 0.000 0.328 185 F C 0.555 176.390 175.800 0.058 0.000 1.094 185 F CA -1.545 56.467 58.000 0.021 0.000 1.093 185 F CB 1.397 40.419 39.000 0.036 0.000 1.214 185 F HN 0.070 nan 8.300 nan 0.000 0.518 186 L N 6.403 127.777 121.223 0.251 0.000 2.281 186 L HA 0.490 4.830 4.340 0.000 0.000 0.285 186 L C -2.406 174.583 176.870 0.198 0.000 1.074 186 L CA -2.034 52.928 54.840 0.204 0.000 0.817 186 L CB 0.387 42.594 42.059 0.246 0.000 1.168 186 L HN 0.231 nan 8.230 nan 0.000 0.434 187 P HA 0.192 nan 4.420 nan 0.000 0.276 187 P C -1.126 176.214 177.300 0.066 0.000 1.235 187 P CA -0.004 63.157 63.100 0.102 0.000 0.772 187 P CB 0.866 32.609 31.700 0.073 0.000 0.871 188 M N 2.249 121.883 119.600 0.057 0.000 2.386 188 M HA 0.292 4.772 4.480 0.000 0.000 0.293 188 M C -0.178 176.153 176.300 0.051 0.000 1.120 188 M CA -0.428 54.876 55.300 0.007 0.000 0.909 188 M CB 2.991 35.540 32.600 -0.086 0.000 1.661 188 M HN 0.269 nan 8.290 nan 0.000 0.452 189 T N 1.843 116.432 114.554 0.059 0.000 2.794 189 T HA 0.819 5.169 4.350 0.000 0.000 0.280 189 T C -0.593 174.117 174.700 0.016 0.000 0.987 189 T CA -0.736 61.442 62.100 0.130 0.000 0.993 189 T CB 1.037 70.017 68.868 0.186 0.000 0.939 189 T HN 0.543 nan 8.240 nan 0.000 0.449 190 L N 3.418 124.611 121.223 -0.051 0.000 2.323 190 L HA 0.657 4.997 4.340 0.000 0.000 0.265 190 L C -1.977 174.805 176.870 -0.147 0.000 1.012 190 L CA -2.685 52.079 54.840 -0.127 0.000 0.820 190 L CB 2.018 43.973 42.059 -0.174 0.000 1.334 190 L HN 0.500 nan 8.230 nan 0.000 0.427 191 P HA 0.150 nan 4.420 nan 0.000 0.274 191 P C -0.441 176.734 177.300 -0.210 0.000 1.260 191 P CA -0.367 62.591 63.100 -0.236 0.000 0.793 191 P CB 0.835 32.216 31.700 -0.532 0.000 1.048 192 S N -1.180 114.478 115.700 -0.069 0.000 2.664 192 S HA 0.239 4.710 4.470 0.000 0.000 0.245 192 S C -0.258 174.422 174.600 0.134 0.000 1.019 192 S CA -0.338 57.895 58.200 0.055 0.000 0.996 192 S CB -0.730 62.629 63.200 0.265 0.000 0.878 192 S HN 0.537 nan 8.310 nan 0.000 0.493 193 Y N -0.928 119.383 120.300 0.020 0.000 2.576 193 Y HA 0.944 5.494 4.550 0.000 0.000 0.346 193 Y C -0.575 175.372 175.900 0.078 0.000 1.018 193 Y CA -1.822 56.318 58.100 0.066 0.000 1.050 193 Y CB 0.799 39.266 38.460 0.012 0.000 1.280 193 Y HN 0.009 nan 8.280 nan 0.000 0.474 194 A N 1.744 124.750 122.820 0.311 0.000 2.601 194 A HA 0.695 5.015 4.320 0.000 0.000 0.291 194 A C -1.255 176.587 177.584 0.430 0.000 1.075 194 A CA -1.426 50.732 52.037 0.202 0.000 0.671 194 A CB 1.406 20.380 19.000 -0.043 0.000 1.277 194 A HN 0.804 nan 8.150 nan 0.000 0.417 195 R N 0.237 120.920 120.500 0.304 0.000 2.649 195 R HA 0.254 4.594 4.340 0.000 0.000 0.270 195 R C 0.995 177.549 176.300 0.423 0.000 1.105 195 R CA -0.141 56.178 56.100 0.364 0.000 1.193 195 R CB 0.547 30.978 30.300 0.218 0.000 1.120 195 R HN 0.973 nan 8.270 nan 0.000 0.561 196 E N 1.452 121.905 120.200 0.423 0.000 2.097 196 E HA -0.301 4.049 4.350 0.000 0.000 0.196 196 E C 1.478 178.208 176.600 0.217 0.000 1.000 196 E CA 2.283 58.863 56.400 0.301 0.000 0.804 196 E CB 0.126 30.028 29.700 0.337 0.000 0.740 196 E HN 0.456 nan 8.360 nan 0.000 0.454 197 K N 0.637 121.138 120.400 0.168 0.000 2.089 197 K HA -0.157 4.164 4.320 0.000 0.000 0.210 197 K C 1.887 178.509 176.600 0.037 0.000 1.048 197 K CA 1.743 58.088 56.287 0.097 0.000 0.926 197 K CB -0.864 31.680 32.500 0.073 0.000 0.714 197 K HN 0.149 nan 8.250 nan 0.000 0.448 198 A N -0.209 122.604 122.820 -0.012 0.000 2.067 198 A HA 0.071 4.391 4.320 0.000 0.000 0.219 198 A C 1.820 179.226 177.584 -0.296 0.000 1.158 198 A CA 0.937 52.872 52.037 -0.170 0.000 0.661 198 A CB -0.692 18.141 19.000 -0.278 0.000 0.801 198 A HN 0.344 nan 8.150 nan 0.000 0.452 199 F N -1.253 118.520 119.950 -0.295 0.000 2.270 199 F HA 0.032 4.559 4.527 0.000 0.000 0.295 199 F C 1.938 177.613 175.800 -0.210 0.000 1.087 199 F CA 0.460 58.165 58.000 -0.492 0.000 1.365 199 F CB -0.157 37.939 39.000 -1.506 0.000 1.056 199 F HN 0.119 nan 8.300 nan 0.000 0.506 200 L N 0.237 121.507 121.223 0.079 0.000 2.046 200 L HA -0.068 4.272 4.340 0.000 0.000 0.208 200 L C 2.621 179.518 176.870 0.045 0.000 1.077 200 L CA 1.874 56.789 54.840 0.124 0.000 0.747 200 L CB -1.707 40.426 42.059 0.123 0.000 0.896 200 L HN 0.171 nan 8.230 nan 0.000 0.432 201 G N -1.897 106.913 108.800 0.016 0.000 2.432 201 G HA2 -0.264 3.697 3.960 0.000 0.000 0.219 201 G HA3 -0.264 3.697 3.960 0.000 0.000 0.219 201 G C 1.476 176.409 174.900 0.054 0.000 1.135 201 G CA 1.352 46.456 45.100 0.006 0.000 0.767 201 G HN 0.488 nan 8.290 nan 0.000 0.550 202 T N -3.328 111.297 114.554 0.118 0.000 3.051 202 T HA 0.390 4.740 4.350 0.000 0.000 0.255 202 T C 1.875 176.792 174.700 0.362 0.000 1.085 202 T CA 1.047 63.294 62.100 0.245 0.000 1.109 202 T CB 0.302 69.353 68.868 0.306 0.000 0.921 202 T HN 1.316 nan 8.240 nan 0.000 0.488 203 G N 0.674 109.660 108.800 0.311 0.000 2.179 203 G HA2 -0.245 3.715 3.960 0.000 0.000 0.220 203 G HA3 -0.245 3.715 3.960 0.000 0.000 0.220 203 G C 0.461 175.606 174.900 0.408 0.000 0.990 203 G CA 0.360 45.729 45.100 0.449 0.000 0.646 203 G HN 0.606 nan 8.290 nan 0.000 0.517 204 H N -0.863 118.448 119.070 0.402 0.000 2.423 204 H HA 0.275 4.831 4.556 0.000 0.000 0.297 204 H C 0.831 176.516 175.328 0.596 0.000 1.075 204 H CA 1.601 57.959 56.048 0.516 0.000 1.342 204 H CB 0.051 30.026 29.762 0.354 0.000 1.395 204 H HN 0.359 nan 8.280 nan 0.000 0.530 205 F N 0.317 120.479 119.950 0.352 0.000 2.458 205 F HA 0.241 4.768 4.527 0.001 0.000 0.330 205 F C -1.344 174.529 175.800 0.122 0.000 1.082 205 F CA -3.654 54.446 58.000 0.167 0.000 0.995 205 F CB 1.468 40.516 39.000 0.081 0.000 1.170 205 F HN -0.074 nan 8.300 nan 0.000 0.478 206 P HA -0.020 nan 4.420 nan 0.000 0.224 206 P C 1.124 178.471 177.300 0.079 0.000 1.157 206 P CA 1.236 64.409 63.100 0.121 0.000 0.799 206 P CB 0.250 31.973 31.700 0.039 0.000 0.809 207 A N -0.125 122.701 122.820 0.010 0.000 1.948 207 A HA -0.184 4.137 4.320 0.000 0.000 0.220 207 A C 1.100 178.557 177.584 -0.211 0.000 1.177 207 A CA 1.454 53.362 52.037 -0.214 0.000 0.636 207 A CB -1.718 16.962 19.000 -0.533 0.000 0.815 207 A HN 0.234 nan 8.150 nan 0.000 0.449 208 Y N -1.378 119.047 120.300 0.209 0.000 2.774 208 Y HA 0.381 4.931 4.550 0.001 0.000 0.305 208 Y C 1.512 177.578 175.900 0.276 0.000 1.067 208 Y CA -0.399 57.831 58.100 0.218 0.000 1.304 208 Y CB -0.171 38.433 38.460 0.241 0.000 1.209 208 Y HN 0.316 nan 8.280 nan 0.000 0.543 209 R N 1.215 121.883 120.500 0.279 0.000 2.115 209 R HA -0.140 4.200 4.340 0.000 0.000 0.230 209 R C 1.649 178.027 176.300 0.130 0.000 1.111 209 R CA 1.978 58.150 56.100 0.120 0.000 0.976 209 R CB 0.018 30.162 30.300 -0.261 0.000 0.870 209 R HN 0.459 nan 8.270 nan 0.000 0.445 210 D N -0.385 120.093 120.400 0.131 0.000 2.348 210 D HA -0.159 4.482 4.640 0.000 0.000 0.216 210 D C 0.903 177.295 176.300 0.153 0.000 0.970 210 D CA 0.703 54.778 54.000 0.125 0.000 0.889 210 D CB -0.113 40.749 40.800 0.104 0.000 0.912 210 D HN 0.217 nan 8.370 nan 0.000 0.524 211 Q N 0.134 120.053 119.800 0.198 0.000 2.444 211 Q HA 0.173 4.514 4.340 0.000 0.000 0.206 211 Q C -0.049 176.038 176.000 0.144 0.000 0.948 211 Q CA 0.035 55.935 55.803 0.162 0.000 0.946 211 Q CB 1.079 29.940 28.738 0.206 0.000 1.027 211 Q HN 0.222 nan 8.270 nan 0.000 0.513 212 V N 0.705 120.742 119.914 0.206 0.000 2.540 212 V HA 0.260 4.381 4.120 0.000 0.000 0.302 212 V C -0.744 175.546 176.094 0.327 0.000 1.035 212 V CA -0.960 61.483 62.300 0.238 0.000 0.873 212 V CB 2.062 34.030 31.823 0.241 0.000 0.992 212 V HN 0.213 nan 8.190 nan 0.000 0.428 213 W N 3.399 124.792 121.300 0.155 0.000 2.345 213 W HA 0.644 5.304 4.660 0.000 0.000 0.308 213 W C 0.447 177.008 176.519 0.069 0.000 1.273 213 W CA -0.950 56.447 57.345 0.088 0.000 1.243 213 W CB 1.016 30.504 29.460 0.047 0.000 1.260 213 W HN 0.658 nan 8.180 nan 0.000 0.509 214 A N 5.198 128.128 122.820 0.184 0.000 2.302 214 A HA 0.613 4.934 4.320 0.000 0.000 0.285 214 A C -0.329 177.145 177.584 -0.182 0.000 1.105 214 A CA -0.599 51.394 52.037 -0.073 0.000 0.816 214 A CB 0.459 19.369 19.000 -0.150 0.000 1.067 214 A HN 0.542 nan 8.150 nan 0.000 0.489 215 I N 2.204 122.614 120.570 -0.266 0.000 2.301 215 I HA 0.296 4.466 4.170 0.000 0.000 0.292 215 I C 0.965 176.939 176.117 -0.238 0.000 1.046 215 I CA -0.136 61.016 61.300 -0.246 0.000 1.282 215 I CB 1.064 38.918 38.000 -0.243 0.000 1.409 215 I HN 0.744 nan 8.210 nan 0.000 0.484 216 A N 5.543 128.241 122.820 -0.203 0.000 2.540 216 A HA 0.102 4.422 4.320 0.000 0.000 0.239 216 A C 0.927 178.424 177.584 -0.146 0.000 1.061 216 A CA 0.222 52.160 52.037 -0.164 0.000 0.758 216 A CB -0.123 18.792 19.000 -0.143 0.000 0.991 216 A HN 0.918 nan 8.150 nan 0.000 0.502 217 E N -0.613 119.513 120.200 -0.124 0.000 2.868 217 E HA -0.207 4.143 4.350 0.000 0.000 0.278 217 E C 0.265 176.803 176.600 -0.103 0.000 1.009 217 E CA 1.060 57.400 56.400 -0.100 0.000 0.856 217 E CB -2.441 27.207 29.700 -0.087 0.000 1.428 217 E HN 1.157 nan 8.360 nan 0.000 0.423 218 T N -2.689 111.787 114.554 -0.130 0.000 2.804 218 T HA 0.423 4.773 4.350 0.000 0.000 0.290 218 T C -0.027 174.593 174.700 -0.132 0.000 1.099 218 T CA -0.351 61.676 62.100 -0.121 0.000 1.011 218 T CB 1.809 70.589 68.868 -0.146 0.000 1.291 218 T HN 0.009 nan 8.240 nan 0.000 0.523 219 D N 0.303 120.652 120.400 -0.086 0.000 2.525 219 D HA 0.253 4.893 4.640 0.000 0.000 0.229 219 D C 0.177 176.455 176.300 -0.037 0.000 1.202 219 D CA -0.331 53.641 54.000 -0.047 0.000 0.828 219 D CB -0.251 40.576 40.800 0.044 0.000 1.008 219 D HN 0.465 nan 8.370 nan 0.000 0.493 220 L N -0.069 121.059 121.223 -0.158 0.000 2.322 220 L HA 0.556 4.897 4.340 0.000 0.000 0.269 220 L C -0.988 175.712 176.870 -0.285 0.000 1.012 220 L CA -1.121 53.707 54.840 -0.020 0.000 0.815 220 L CB 1.386 43.455 42.059 0.016 0.000 1.295 220 L HN -0.120 nan 8.230 nan 0.000 0.438 221 Y N 0.334 120.724 120.300 0.150 0.000 2.544 221 Y HA 0.449 4.999 4.550 0.000 0.000 0.342 221 Y C -0.503 175.517 175.900 0.199 0.000 1.062 221 Y CA -0.659 57.488 58.100 0.077 0.000 1.023 221 Y CB 1.821 40.165 38.460 -0.194 0.000 1.308 221 Y HN 0.269 nan 8.280 nan 0.000 0.457 222 L N 2.738 124.138 121.223 0.295 0.000 2.349 222 L HA 0.447 4.788 4.340 0.000 0.000 0.275 222 L C 0.355 177.475 176.870 0.417 0.000 1.115 222 L CA -0.599 54.387 54.840 0.243 0.000 0.820 222 L CB 1.040 43.104 42.059 0.008 0.000 1.135 222 L HN 0.742 nan 8.230 nan 0.000 0.445 223 T N -0.970 113.797 114.554 0.355 0.000 2.889 223 T HA 0.279 4.630 4.350 0.000 0.000 0.291 223 T C 1.084 175.878 174.700 0.158 0.000 0.995 223 T CA -0.314 61.935 62.100 0.248 0.000 1.092 223 T CB 1.692 70.530 68.868 -0.051 0.000 0.954 223 T HN 0.710 nan 8.240 nan 0.000 0.506 224 G N 0.423 109.265 108.800 0.070 0.000 2.683 224 G HA2 0.336 4.296 3.960 0.000 0.000 0.213 224 G HA3 0.336 4.296 3.960 0.000 0.000 0.213 224 G C 0.468 175.327 174.900 -0.069 0.000 1.142 224 G CA 0.518 45.630 45.100 0.021 0.000 0.793 224 G HN 1.040 nan 8.290 nan 0.000 0.534 225 T N -2.452 112.022 114.554 -0.134 0.000 2.942 225 T HA 0.489 4.839 4.350 0.000 0.000 0.327 225 T C 0.768 175.373 174.700 -0.157 0.000 1.360 225 T CA 0.422 62.457 62.100 -0.109 0.000 1.055 225 T CB 1.240 70.100 68.868 -0.014 0.000 1.261 225 T HN 0.262 nan 8.240 nan 0.000 0.485 226 A N 1.853 124.589 122.820 -0.139 0.000 2.216 226 A HA 0.066 4.387 4.320 0.000 0.000 0.214 226 A C 1.860 179.348 177.584 -0.159 0.000 1.160 226 A CA 1.693 53.633 52.037 -0.161 0.000 0.725 226 A CB -0.742 18.178 19.000 -0.132 0.000 0.784 226 A HN 0.917 nan 8.150 nan 0.000 0.472 227 E N 0.174 120.313 120.200 -0.102 0.000 2.077 227 E HA -0.154 4.196 4.350 0.000 0.000 0.193 227 E C 1.692 178.181 176.600 -0.186 0.000 0.989 227 E CA 1.609 57.965 56.400 -0.073 0.000 0.800 227 E CB -0.147 29.605 29.700 0.086 0.000 0.746 227 E HN 0.355 nan 8.360 nan 0.000 0.452 228 V N 0.708 120.455 119.914 -0.278 0.000 2.332 228 V HA -0.246 3.874 4.120 0.000 0.000 0.248 228 V C 2.420 178.278 176.094 -0.393 0.000 1.055 228 V CA 1.498 63.537 62.300 -0.435 0.000 1.038 228 V CB -0.239 31.094 31.823 -0.816 0.000 0.651 228 V HN 0.212 nan 8.190 nan 0.000 0.450 229 V N -1.087 118.619 119.914 -0.347 0.000 2.407 229 V HA -0.112 4.008 4.120 0.000 0.000 0.245 229 V C 2.274 178.178 176.094 -0.317 0.000 1.041 229 V CA 1.154 63.266 62.300 -0.313 0.000 1.040 229 V CB -0.309 31.340 31.823 -0.289 0.000 0.671 229 V HN 0.366 nan 8.190 nan 0.000 0.455 230 L N 0.744 121.751 121.223 -0.360 0.000 2.046 230 L HA -0.154 4.186 4.340 0.000 0.000 0.208 230 L C 2.237 178.746 176.870 -0.603 0.000 1.077 230 L CA 1.848 56.414 54.840 -0.456 0.000 0.747 230 L CB -1.355 40.419 42.059 -0.475 0.000 0.896 230 L HN 0.414 nan 8.230 nan 0.000 0.432 231 N N -0.633 117.688 118.700 -0.631 0.000 2.459 231 N HA -0.099 4.641 4.740 0.000 0.000 0.181 231 N C 1.302 176.762 175.510 -0.084 0.000 1.046 231 N CA 0.931 53.794 53.050 -0.311 0.000 0.904 231 N CB 0.379 38.828 38.487 -0.063 0.000 0.964 231 N HN 0.345 nan 8.380 nan 0.000 0.444 232 A N 0.182 122.912 122.820 -0.150 0.000 2.348 232 A HA 0.236 4.556 4.320 0.000 0.000 0.224 232 A C 1.971 179.487 177.584 -0.114 0.000 1.227 232 A CA -0.354 51.626 52.037 -0.094 0.000 0.885 232 A CB -0.008 18.916 19.000 -0.127 0.000 0.933 232 A HN 0.211 nan 8.150 nan 0.000 0.506 233 L N -0.815 120.292 121.223 -0.194 0.000 2.131 233 L HA -0.118 4.222 4.340 0.000 0.000 0.210 233 L C 1.403 178.077 176.870 -0.328 0.000 1.092 233 L CA 0.883 55.531 54.840 -0.319 0.000 0.759 233 L CB -0.312 41.444 42.059 -0.504 0.000 0.903 233 L HN 0.474 nan 8.230 nan 0.000 0.435 234 H N -1.268 117.840 119.070 0.063 0.000 2.486 234 H HA 0.270 4.826 4.556 0.000 0.000 0.284 234 H C 0.473 175.847 175.328 0.075 0.000 1.103 234 H CA -0.268 55.829 56.048 0.082 0.000 1.089 234 H CB 0.355 30.192 29.762 0.126 0.000 1.603 234 H HN 0.101 nan 8.280 nan 0.000 0.557 235 S N -0.015 115.758 115.700 0.121 0.000 2.549 235 S HA 0.237 4.707 4.470 0.000 0.000 0.286 235 S C 1.411 176.067 174.600 0.093 0.000 1.314 235 S CA 0.752 59.015 58.200 0.105 0.000 1.062 235 S CB 0.676 63.915 63.200 0.065 0.000 0.865 235 S HN 0.769 nan 8.310 nan 0.000 0.498 236 G N 1.811 110.667 108.800 0.093 0.000 2.148 236 G HA2 -0.259 3.701 3.960 0.000 0.000 0.254 236 G HA3 -0.259 3.701 3.960 0.000 0.000 0.254 236 G C -0.143 174.796 174.900 0.064 0.000 0.981 236 G CA 0.500 45.640 45.100 0.068 0.000 0.670 236 G HN 0.731 nan 8.290 nan 0.000 0.528 237 E N -0.357 119.897 120.200 0.090 0.000 2.202 237 E HA 0.660 5.010 4.350 0.000 0.000 0.272 237 E C -0.023 176.611 176.600 0.058 0.000 0.951 237 E CA -1.141 55.309 56.400 0.084 0.000 0.813 237 E CB 0.797 30.582 29.700 0.143 0.000 1.151 237 E HN 0.250 nan 8.360 nan 0.000 0.398 238 I N 5.154 125.741 120.570 0.029 0.000 2.328 238 I HA 0.212 4.382 4.170 0.000 0.000 0.287 238 I C -0.396 175.735 176.117 0.022 0.000 1.012 238 I CA -0.587 60.719 61.300 0.010 0.000 1.195 238 I CB 0.838 38.824 38.000 -0.024 0.000 1.350 238 I HN 0.410 nan 8.210 nan 0.000 0.464 239 L N 8.479 129.724 121.223 0.037 0.000 2.417 239 L HA 0.361 4.701 4.340 0.000 0.000 0.268 239 L C -1.969 174.938 176.870 0.062 0.000 1.158 239 L CA -1.633 53.211 54.840 0.007 0.000 0.819 239 L CB 0.337 42.356 42.059 -0.066 0.000 1.112 239 L HN 0.336 nan 8.230 nan 0.000 0.458 240 P HA -0.059 nan 4.420 nan 0.000 0.275 240 P C 0.080 177.434 177.300 0.090 0.000 1.227 240 P CA -0.231 62.912 63.100 0.071 0.000 0.781 240 P CB 0.658 32.380 31.700 0.036 0.000 0.906 241 Y N 3.503 123.844 120.300 0.069 0.000 2.139 241 Y HA -0.286 4.264 4.550 0.000 0.000 0.282 241 Y C 2.048 177.938 175.900 -0.017 0.000 1.179 241 Y CA 2.294 60.436 58.100 0.071 0.000 1.161 241 Y CB -0.377 38.128 38.460 0.074 0.000 0.970 241 Y HN 0.362 nan 8.280 nan 0.000 0.511 242 E N -0.278 119.891 120.200 -0.051 0.000 2.418 242 E HA -0.056 4.294 4.350 0.000 0.000 0.197 242 E C 2.140 178.633 176.600 -0.178 0.000 1.026 242 E CA 0.884 57.212 56.400 -0.119 0.000 0.862 242 E CB -0.785 28.915 29.700 0.000 0.000 0.799 242 E HN 0.556 nan 8.360 nan 0.000 0.518 243 A N 0.884 123.600 122.820 -0.172 0.000 2.119 243 A HA 0.051 4.372 4.320 0.000 0.000 0.217 243 A C 1.072 178.498 177.584 -0.263 0.000 1.153 243 A CA 0.140 52.070 52.037 -0.179 0.000 0.692 243 A CB -0.155 18.755 19.000 -0.150 0.000 0.799 243 A HN 0.105 nan 8.150 nan 0.000 0.458 244 L N 1.143 122.146 121.223 -0.367 0.000 2.395 244 L HA 0.343 4.683 4.340 0.000 0.000 0.269 244 L C -1.767 174.877 176.870 -0.376 0.000 1.133 244 L CA -1.858 52.730 54.840 -0.420 0.000 0.812 244 L CB 0.344 42.060 42.059 -0.571 0.000 1.125 244 L HN 0.161 nan 8.230 nan 0.000 0.452 245 P HA 0.177 nan 4.420 nan 0.000 0.278 245 P C -0.968 176.110 177.300 -0.371 0.000 1.238 245 P CA -0.693 62.201 63.100 -0.343 0.000 0.794 245 P CB 1.039 32.562 31.700 -0.295 0.000 0.955 246 L N 3.881 124.859 121.223 -0.409 0.000 2.313 246 L HA 0.280 4.620 4.340 0.000 0.000 0.282 246 L C 1.053 177.548 176.870 -0.624 0.000 1.092 246 L CA 0.136 54.662 54.840 -0.524 0.000 0.831 246 L CB -0.108 41.620 42.059 -0.552 0.000 1.159 246 L HN 0.469 nan 8.230 nan 0.000 0.442 247 R N 3.474 123.579 120.500 -0.658 0.000 2.473 247 R HA 0.511 4.852 4.340 0.000 0.000 0.303 247 R C -1.702 174.426 176.300 -0.286 0.000 1.002 247 R CA -0.763 54.898 56.100 -0.732 0.000 0.884 247 R CB 0.786 30.260 30.300 -1.375 0.000 1.173 247 R HN 0.220 nan 8.270 nan 0.000 0.464 248 Y N 1.632 122.013 120.300 0.135 0.000 2.341 248 Y HA 0.568 5.118 4.550 0.000 0.000 0.337 248 Y C 0.064 176.209 175.900 0.407 0.000 1.014 248 Y CA -1.627 56.631 58.100 0.263 0.000 1.111 248 Y CB 2.341 40.952 38.460 0.252 0.000 1.194 248 Y HN 0.806 nan 8.280 nan 0.000 0.462 249 A N 2.635 125.728 122.820 0.455 0.000 2.394 249 A HA 0.700 5.020 4.320 0.000 0.000 0.333 249 A C 0.265 177.965 177.584 0.194 0.000 1.397 249 A CA -0.328 51.880 52.037 0.286 0.000 0.884 249 A CB -0.282 18.833 19.000 0.191 0.000 1.147 249 A HN 0.843 nan 8.150 nan 0.000 0.505 250 G N 0.807 109.700 108.800 0.155 0.000 2.372 250 G HA2 0.492 4.452 3.960 0.000 0.000 0.323 250 G HA3 0.492 4.452 3.960 0.000 0.000 0.323 250 G C -0.884 174.075 174.900 0.098 0.000 1.152 250 G CA -0.406 44.744 45.100 0.084 0.000 0.906 250 G HN 0.686 nan 8.290 nan 0.000 0.460 251 Y N 2.146 122.446 120.300 0.000 0.000 2.323 251 Y HA 0.681 5.231 4.550 0.001 0.000 0.331 251 Y C -0.100 175.798 175.900 -0.004 0.000 1.092 251 Y CA -0.911 57.191 58.100 0.005 0.000 1.150 251 Y CB 1.532 39.998 38.460 0.012 0.000 1.200 251 Y HN 0.790 nan 8.280 nan 0.000 0.472 252 A N 6.607 128.871 122.820 -0.927 0.000 2.589 252 A HA 0.627 4.947 4.320 0.000 0.000 0.296 252 A C -3.101 174.061 177.584 -0.704 0.000 1.062 252 A CA -1.954 49.586 52.037 -0.828 0.000 0.686 252 A CB 1.071 19.847 19.000 -0.373 0.000 1.282 252 A HN 0.585 nan 8.150 nan 0.000 0.404 253 P HA 0.275 nan 4.420 nan 0.000 0.264 253 P C -0.371 176.681 177.300 -0.413 0.000 1.179 253 P CA 0.765 63.658 63.100 -0.345 0.000 0.763 253 P CB 0.596 32.214 31.700 -0.136 0.000 0.806 254 A N 2.811 125.177 122.820 -0.757 0.000 2.386 254 A HA 0.761 5.081 4.320 0.000 0.000 0.311 254 A C -1.430 175.673 177.584 -0.802 0.000 1.068 254 A CA -0.383 51.210 52.037 -0.739 0.000 0.743 254 A CB 0.784 19.017 19.000 -1.279 0.000 1.258 254 A HN 0.328 nan 8.150 nan 0.000 0.429 255 F N 0.923 120.757 119.950 -0.193 0.000 2.507 255 F HA 0.684 5.211 4.527 0.001 0.000 0.328 255 F C 0.338 176.106 175.800 -0.053 0.000 1.136 255 F CA -0.371 57.620 58.000 -0.015 0.000 0.930 255 F CB 2.396 41.524 39.000 0.212 0.000 1.166 255 F HN 0.535 nan 8.300 nan 0.000 0.436 256 R N 0.329 120.838 120.500 0.015 0.000 2.534 256 R HA 0.357 4.698 4.340 0.000 0.000 0.301 256 R C 0.936 176.990 176.300 -0.409 0.000 0.961 256 R CA -0.294 55.772 56.100 -0.058 0.000 0.871 256 R CB 1.782 32.152 30.300 0.116 0.000 1.170 256 R HN 0.684 nan 8.270 nan 0.000 0.446 257 S N 1.915 117.275 115.700 -0.567 0.000 2.423 257 S HA -0.105 4.365 4.470 0.000 0.000 0.231 257 S C 0.152 174.672 174.600 -0.133 0.000 1.014 257 S CA 0.664 58.397 58.200 -0.778 0.000 0.965 257 S CB -0.072 62.873 63.200 -0.424 0.000 0.785 257 S HN 0.665 nan 8.310 nan 0.000 0.495 258 E N 0.502 120.689 120.200 -0.022 0.000 2.389 258 E HA -0.161 4.189 4.350 0.000 0.000 0.243 258 E C 0.176 176.833 176.600 0.095 0.000 1.154 258 E CA 0.840 57.268 56.400 0.047 0.000 0.723 258 E CB -2.364 27.344 29.700 0.013 0.000 1.261 258 E HN 0.840 nan 8.360 nan 0.000 0.390 259 A N -0.468 122.408 122.820 0.093 0.000 2.477 259 A HA 0.479 4.799 4.320 0.000 0.000 0.246 259 A C 1.732 179.384 177.584 0.113 0.000 1.078 259 A CA 1.131 53.239 52.037 0.117 0.000 0.770 259 A CB 0.320 19.388 19.000 0.113 0.000 1.011 259 A HN 1.074 nan 8.150 nan 0.000 0.494 260 G N 1.422 110.297 108.800 0.125 0.000 2.253 260 G HA2 -0.246 3.714 3.960 0.000 0.000 0.251 260 G HA3 -0.246 3.714 3.960 0.000 0.000 0.251 260 G C 0.637 175.619 174.900 0.137 0.000 0.998 260 G CA 0.463 45.637 45.100 0.122 0.000 0.621 260 G HN 1.320 nan 8.290 nan 0.000 0.524 261 S N 1.341 117.114 115.700 0.120 0.000 4.183 261 S HA 0.472 4.942 4.470 0.000 0.000 0.195 261 S C -0.102 174.570 174.600 0.120 0.000 1.421 261 S CA -0.414 57.840 58.200 0.090 0.000 0.920 261 S CB -0.263 62.958 63.200 0.035 0.000 1.525 261 S HN 0.553 nan 8.310 nan 0.000 0.447 262 F N 2.270 122.240 119.950 0.033 0.000 2.467 262 F HA 0.492 5.019 4.527 0.001 0.000 0.362 262 F C 1.209 177.024 175.800 0.025 0.000 1.090 262 F CA -0.186 57.835 58.000 0.034 0.000 1.202 262 F CB 0.139 39.161 39.000 0.036 0.000 1.113 262 F HN 0.536 nan 8.300 nan 0.000 0.541 263 G N 4.288 112.678 108.800 -0.683 0.000 2.233 263 G HA2 -0.363 3.597 3.960 0.000 0.000 0.270 263 G HA3 -0.363 3.597 3.960 0.000 0.000 0.270 263 G C 0.220 174.969 174.900 -0.252 0.000 1.011 263 G CA 0.496 45.241 45.100 -0.591 0.000 0.762 263 G HN 0.752 nan 8.290 nan 0.000 0.511 264 K N 0.844 121.152 120.400 -0.153 0.000 2.240 264 K HA 0.400 4.720 4.320 0.000 0.000 0.271 264 K C 0.506 177.058 176.600 -0.081 0.000 1.018 264 K CA -0.515 55.724 56.287 -0.080 0.000 0.874 264 K CB 0.451 32.930 32.500 -0.035 0.000 1.098 264 K HN 0.160 nan 8.250 nan 0.000 0.458 265 D N 2.711 123.069 120.400 -0.071 0.000 2.702 265 D HA -0.149 4.491 4.640 0.000 0.000 0.233 265 D C 0.999 177.266 176.300 -0.056 0.000 1.164 265 D CA 0.934 54.897 54.000 -0.061 0.000 0.638 265 D CB -1.043 39.715 40.800 -0.070 0.000 1.041 265 D HN 0.417 nan 8.370 nan 0.000 0.422 266 V N -2.810 117.065 119.914 -0.065 0.000 3.078 266 V HA -0.174 3.947 4.120 0.000 0.000 0.265 266 V C 2.302 178.396 176.094 -0.000 0.000 1.122 266 V CA 1.195 63.465 62.300 -0.050 0.000 1.141 266 V CB -0.334 31.439 31.823 -0.083 0.000 0.735 266 V HN 0.050 nan 8.190 nan 0.000 0.498 267 R N 1.791 122.294 120.500 0.005 0.000 2.124 267 R HA 0.228 4.568 4.340 0.000 0.000 0.215 267 R C 1.823 178.185 176.300 0.103 0.000 1.145 267 R CA 1.946 58.067 56.100 0.035 0.000 0.898 267 R CB -1.269 29.024 30.300 -0.012 0.000 0.790 267 R HN 0.497 nan 8.270 nan 0.000 0.458 268 G N -1.346 107.509 108.800 0.092 0.000 3.157 268 G HA2 0.185 4.146 3.960 0.000 0.000 0.206 268 G HA3 0.185 4.146 3.960 0.000 0.000 0.206 268 G C 0.507 175.513 174.900 0.177 0.000 1.903 268 G CA -0.202 44.972 45.100 0.124 0.000 0.771 268 G HN 0.225 nan 8.290 nan 0.000 0.750 269 L N 1.328 122.649 121.223 0.165 0.000 2.611 269 L HA 0.200 4.540 4.340 0.000 0.000 0.229 269 L C 2.326 179.067 176.870 -0.215 0.000 1.137 269 L CA -0.094 54.678 54.840 -0.115 0.000 0.901 269 L CB 0.009 41.946 42.059 -0.203 0.000 1.098 269 L HN 0.236 nan 8.230 nan 0.000 0.456 270 M N -0.445 119.068 119.600 -0.145 0.000 2.287 270 M HA 0.023 4.504 4.480 0.000 0.000 0.266 270 M C 1.160 177.324 176.300 -0.227 0.000 1.079 270 M CA 1.122 56.300 55.300 -0.203 0.000 1.146 270 M CB -0.443 32.072 32.600 -0.142 0.000 1.374 270 M HN 0.119 nan 8.290 nan 0.000 0.435 271 R N 1.473 121.866 120.500 -0.179 0.000 2.721 271 R HA 0.449 4.789 4.340 0.000 0.000 0.272 271 R C -1.268 174.929 176.300 -0.172 0.000 1.721 271 R CA -0.179 55.806 56.100 -0.192 0.000 1.325 271 R CB 0.841 31.055 30.300 -0.143 0.000 1.271 271 R HN 0.062 nan 8.270 nan 0.000 0.556 272 V N -0.303 119.508 119.914 -0.171 0.000 2.975 272 V HA 0.419 4.539 4.120 0.000 0.000 0.318 272 V C 1.009 177.075 176.094 -0.047 0.000 1.077 272 V CA -0.631 61.620 62.300 -0.082 0.000 1.000 272 V CB 1.714 33.595 31.823 0.096 0.000 1.066 272 V HN 0.608 nan 8.190 nan 0.000 0.452 273 H N 0.228 119.373 119.070 0.124 0.000 2.423 273 H HA 0.107 4.663 4.556 0.001 0.000 0.297 273 H C 0.832 176.204 175.328 0.073 0.000 1.075 273 H CA 1.825 57.901 56.048 0.046 0.000 1.342 273 H CB 0.431 30.269 29.762 0.127 0.000 1.395 273 H HN 0.795 nan 8.280 nan 0.000 0.530 274 Q N -0.150 119.787 119.800 0.229 0.000 2.305 274 Q HA 0.428 4.769 4.340 0.000 0.000 0.271 274 Q C -1.549 174.507 176.000 0.092 0.000 1.046 274 Q CA -0.723 54.996 55.803 -0.140 0.000 0.798 274 Q CB 1.750 30.312 28.738 -0.293 0.000 1.286 274 Q HN 0.075 nan 8.270 nan 0.000 0.435 275 F N -0.829 118.959 119.950 -0.270 0.000 2.869 275 F HA 0.592 5.119 4.527 0.000 0.000 0.325 275 F C -1.570 174.038 175.800 -0.320 0.000 1.184 275 F CA -1.163 56.744 58.000 -0.155 0.000 0.951 275 F CB 1.038 39.993 39.000 -0.075 0.000 1.421 275 F HN 0.515 nan 8.300 nan 0.000 0.501 276 H N 0.075 119.258 119.070 0.188 0.000 2.469 276 H HA 0.649 5.206 4.556 0.001 0.000 0.342 276 H C -1.126 174.296 175.328 0.157 0.000 1.115 276 H CA -0.875 55.236 56.048 0.105 0.000 1.204 276 H CB 1.990 31.913 29.762 0.268 0.000 1.492 276 H HN 0.657 nan 8.280 nan 0.000 0.499 277 K N 2.386 122.874 120.400 0.147 0.000 2.513 277 K HA 0.447 4.767 4.320 0.000 0.000 0.251 277 K C -1.627 175.069 176.600 0.159 0.000 0.939 277 K CA -0.689 55.696 56.287 0.164 0.000 0.793 277 K CB 1.818 34.393 32.500 0.125 0.000 1.241 277 K HN 0.351 nan 8.250 nan 0.000 0.431 278 V N 3.125 123.145 119.914 0.177 0.000 2.407 278 V HA 0.278 4.398 4.120 0.000 0.000 0.278 278 V C -0.238 175.911 176.094 0.092 0.000 1.037 278 V CA -0.478 61.919 62.300 0.161 0.000 0.900 278 V CB 1.202 33.101 31.823 0.127 0.000 0.983 278 V HN 0.781 nan 8.190 nan 0.000 0.459 279 E N 3.788 124.041 120.200 0.088 0.000 2.195 279 E HA 0.450 4.800 4.350 0.000 0.000 0.271 279 E C -0.834 175.840 176.600 0.124 0.000 0.923 279 E CA -0.497 55.958 56.400 0.092 0.000 0.790 279 E CB 1.557 31.304 29.700 0.079 0.000 1.155 279 E HN 0.660 nan 8.360 nan 0.000 0.402 280 Q N 2.906 122.778 119.800 0.119 0.000 2.325 280 Q HA 0.318 4.658 4.340 0.000 0.000 0.262 280 Q C -1.375 174.823 176.000 0.330 0.000 0.968 280 Q CA -0.759 55.131 55.803 0.145 0.000 0.877 280 Q CB 1.647 30.346 28.738 -0.065 0.000 1.253 280 Q HN 0.574 nan 8.270 nan 0.000 0.448 281 Y N 1.860 122.347 120.300 0.311 0.000 2.391 281 Y HA 0.560 5.110 4.550 0.000 0.000 0.341 281 Y C -1.533 174.477 175.900 0.183 0.000 0.965 281 Y CA -0.865 57.374 58.100 0.231 0.000 1.067 281 Y CB 1.321 39.916 38.460 0.226 0.000 1.199 281 Y HN 0.379 nan 8.280 nan 0.000 0.450 282 V N 7.660 127.319 119.914 -0.426 0.000 2.588 282 V HA 0.446 4.566 4.120 0.000 0.000 0.304 282 V C -1.054 174.661 176.094 -0.632 0.000 1.042 282 V CA -0.896 61.152 62.300 -0.419 0.000 0.877 282 V CB 1.829 33.538 31.823 -0.190 0.000 0.996 282 V HN 0.776 nan 8.190 nan 0.000 0.425 283 L N 4.172 125.100 121.223 -0.491 0.000 2.333 283 L HA 0.825 5.166 4.340 0.000 0.000 0.280 283 L C -0.135 176.569 176.870 -0.277 0.000 1.004 283 L CA 0.476 55.126 54.840 -0.316 0.000 0.820 283 L CB 1.952 43.916 42.059 -0.158 0.000 1.247 283 L HN 0.797 nan 8.230 nan 0.000 0.416 284 T N 2.209 116.629 114.554 -0.222 0.000 2.742 284 T HA 0.372 4.722 4.350 0.000 0.000 0.282 284 T C -1.003 173.463 174.700 -0.391 0.000 1.025 284 T CA -0.557 61.377 62.100 -0.277 0.000 1.020 284 T CB 1.237 70.003 68.868 -0.170 0.000 1.317 284 T HN 0.761 nan 8.240 nan 0.000 0.538 285 E N 0.608 120.528 120.200 -0.467 0.000 2.391 285 E HA 0.524 4.875 4.350 0.000 0.000 0.255 285 E C -0.344 175.962 176.600 -0.490 0.000 1.187 285 E CA -0.719 55.305 56.400 -0.627 0.000 0.941 285 E CB 0.575 30.069 29.700 -0.345 0.000 1.010 285 E HN 0.546 nan 8.360 nan 0.000 0.458 286 A N 1.759 124.293 122.820 -0.476 0.000 3.118 286 A HA 0.228 4.548 4.320 0.000 0.000 0.256 286 A C -0.243 176.919 177.584 -0.704 0.000 1.667 286 A CA -0.218 51.136 52.037 -1.137 0.000 1.338 286 A CB -1.037 17.561 19.000 -0.669 0.000 1.127 286 A HN 0.518 nan 8.150 nan 0.000 0.634 287 S N 0.039 115.481 115.700 -0.430 0.000 2.521 287 S HA 0.565 5.035 4.470 0.000 0.000 0.295 287 S C 0.682 175.358 174.600 0.127 0.000 1.098 287 S CA -0.735 57.419 58.200 -0.077 0.000 0.999 287 S CB 1.132 64.310 63.200 -0.036 0.000 1.034 287 S HN 0.297 nan 8.310 nan 0.000 0.483 288 L N 1.478 122.788 121.223 0.145 0.000 2.079 288 L HA -0.138 4.202 4.340 0.000 0.000 0.210 288 L C 2.874 179.776 176.870 0.053 0.000 1.081 288 L CA 2.004 56.883 54.840 0.065 0.000 0.752 288 L CB -0.444 41.623 42.059 0.013 0.000 0.896 288 L HN 0.957 nan 8.230 nan 0.000 0.433 289 E N 0.313 120.541 120.200 0.045 0.000 2.118 289 E HA -0.255 4.095 4.350 0.000 0.000 0.195 289 E C 2.143 178.761 176.600 0.029 0.000 0.992 289 E CA 1.312 57.732 56.400 0.035 0.000 0.804 289 E CB 0.051 29.767 29.700 0.027 0.000 0.741 289 E HN 0.487 nan 8.360 nan 0.000 0.458 290 A N 0.346 123.181 122.820 0.024 0.000 1.930 290 A HA -0.098 4.222 4.320 0.000 0.000 0.215 290 A C 2.285 179.890 177.584 0.035 0.000 1.176 290 A CA 1.415 53.456 52.037 0.006 0.000 0.632 290 A CB -0.629 18.348 19.000 -0.039 0.000 0.819 290 A HN 0.325 nan 8.150 nan 0.000 0.445 291 S N 0.206 115.957 115.700 0.085 0.000 2.353 291 S HA -0.214 4.257 4.470 0.000 0.000 0.222 291 S C 1.625 176.271 174.600 0.077 0.000 1.035 291 S CA 1.949 60.198 58.200 0.081 0.000 1.025 291 S CB -0.516 62.703 63.200 0.032 0.000 0.902 291 S HN 0.567 nan 8.310 nan 0.000 0.440 292 D N 0.579 121.007 120.400 0.048 0.000 2.178 292 D HA -0.021 4.619 4.640 0.000 0.000 0.202 292 D C 2.174 178.526 176.300 0.087 0.000 0.974 292 D CA 0.570 54.598 54.000 0.048 0.000 0.841 292 D CB -0.336 40.471 40.800 0.012 0.000 0.953 292 D HN 0.167 nan 8.370 nan 0.000 0.478 293 R N 0.929 121.466 120.500 0.062 0.000 2.090 293 R HA 0.108 4.448 4.340 0.000 0.000 0.228 293 R C 1.868 178.208 176.300 0.066 0.000 1.110 293 R CA 1.125 57.257 56.100 0.053 0.000 0.973 293 R CB -0.718 29.596 30.300 0.023 0.000 0.869 293 R HN 0.155 nan 8.270 nan 0.000 0.440 294 A N -0.498 122.364 122.820 0.070 0.000 1.897 294 A HA -0.111 4.210 4.320 0.000 0.000 0.215 294 A C 2.150 179.804 177.584 0.117 0.000 1.181 294 A CA 0.912 52.990 52.037 0.070 0.000 0.620 294 A CB -0.724 18.297 19.000 0.034 0.000 0.821 294 A HN 0.335 nan 8.150 nan 0.000 0.443 295 F N 0.616 120.563 119.950 -0.006 0.000 2.069 295 F HA -0.269 4.259 4.527 0.000 0.000 0.298 295 F C 2.583 178.372 175.800 -0.019 0.000 1.113 295 F CA 2.469 60.459 58.000 -0.016 0.000 1.214 295 F CB -0.345 38.633 39.000 -0.037 0.000 0.978 295 F HN 0.381 nan 8.300 nan 0.000 0.474 296 Q N 0.276 120.199 119.800 0.205 0.000 2.096 296 Q HA -0.301 4.040 4.340 0.000 0.000 0.204 296 Q C 2.125 178.133 176.000 0.015 0.000 0.982 296 Q CA 2.222 58.079 55.803 0.091 0.000 0.850 296 Q CB -0.378 28.417 28.738 0.094 0.000 0.901 296 Q HN 0.771 nan 8.270 nan 0.000 0.422 297 E N -0.611 119.608 120.200 0.031 0.000 2.216 297 E HA -0.157 4.193 4.350 0.000 0.000 0.192 297 E C 1.890 178.485 176.600 -0.008 0.000 0.988 297 E CA 0.401 56.819 56.400 0.031 0.000 0.834 297 E CB -0.134 29.615 29.700 0.081 0.000 0.772 297 E HN 0.246 nan 8.360 nan 0.000 0.479 298 L N 0.691 121.888 121.223 -0.042 0.000 2.046 298 L HA -0.122 4.218 4.340 0.000 0.000 0.208 298 L C 2.301 179.049 176.870 -0.204 0.000 1.077 298 L CA 1.235 56.003 54.840 -0.120 0.000 0.747 298 L CB -0.770 41.203 42.059 -0.144 0.000 0.896 298 L HN 0.263 nan 8.230 nan 0.000 0.432 299 L N -0.755 120.319 121.223 -0.249 0.000 2.072 299 L HA -0.145 4.195 4.340 0.000 0.000 0.205 299 L C 2.434 179.193 176.870 -0.184 0.000 1.079 299 L CA 1.543 56.229 54.840 -0.257 0.000 0.752 299 L CB -0.553 41.354 42.059 -0.254 0.000 0.906 299 L HN 0.346 nan 8.230 nan 0.000 0.436 300 E N -1.058 119.079 120.200 -0.105 0.000 2.208 300 E HA -0.164 4.186 4.350 0.000 0.000 0.193 300 E C 1.803 178.376 176.600 -0.046 0.000 0.988 300 E CA 0.977 57.342 56.400 -0.058 0.000 0.828 300 E CB -0.168 29.530 29.700 -0.003 0.000 0.763 300 E HN 0.636 nan 8.360 nan 0.000 0.478 301 N N 0.801 119.473 118.700 -0.047 0.000 2.106 301 N HA -0.126 4.614 4.740 0.000 0.000 0.188 301 N C 1.947 177.379 175.510 -0.129 0.000 1.029 301 N CA 0.913 53.985 53.050 0.037 0.000 0.848 301 N CB -0.063 38.401 38.487 -0.038 0.000 1.007 301 N HN 0.068 nan 8.380 nan 0.000 0.423 302 A N 1.332 123.990 122.820 -0.270 0.000 1.930 302 A HA -0.128 4.193 4.320 0.000 0.000 0.217 302 A C 1.903 179.153 177.584 -0.557 0.000 1.175 302 A CA 1.175 52.924 52.037 -0.481 0.000 0.627 302 A CB -0.319 18.266 19.000 -0.692 0.000 0.815 302 A HN 0.275 nan 8.150 nan 0.000 0.443 303 E N -0.709 119.212 120.200 -0.465 0.000 2.110 303 E HA -0.221 4.129 4.350 0.000 0.000 0.193 303 E C 1.997 178.409 176.600 -0.314 0.000 0.988 303 E CA 1.259 57.344 56.400 -0.525 0.000 0.804 303 E CB -0.071 29.476 29.700 -0.256 0.000 0.745 303 E HN 0.636 nan 8.360 nan 0.000 0.458 304 E N 1.018 121.098 120.200 -0.200 0.000 2.106 304 E HA -0.126 4.224 4.350 0.000 0.000 0.192 304 E C 1.809 178.222 176.600 -0.312 0.000 0.984 304 E CA 0.757 57.077 56.400 -0.133 0.000 0.806 304 E CB -0.097 29.644 29.700 0.070 0.000 0.750 304 E HN 0.228 nan 8.360 nan 0.000 0.458 305 I N -0.052 120.190 120.570 -0.547 0.000 2.179 305 I HA -0.282 3.889 4.170 0.000 0.000 0.242 305 I C 2.147 178.167 176.117 -0.161 0.000 1.088 305 I CA 0.917 61.943 61.300 -0.458 0.000 1.357 305 I CB -0.183 37.547 38.000 -0.449 0.000 1.051 305 I HN 0.157 nan 8.210 nan 0.000 0.409 306 L N -0.021 121.076 121.223 -0.210 0.000 2.056 306 L HA -0.179 4.161 4.340 0.000 0.000 0.207 306 L C 2.730 179.609 176.870 0.014 0.000 1.078 306 L CA 1.327 56.100 54.840 -0.113 0.000 0.749 306 L CB -0.578 41.304 42.059 -0.295 0.000 0.901 306 L HN 0.165 nan 8.230 nan 0.000 0.433 307 R N 0.040 120.558 120.500 0.029 0.000 2.081 307 R HA -0.116 4.224 4.340 0.000 0.000 0.235 307 R C 2.289 178.628 176.300 0.065 0.000 1.131 307 R CA 1.116 57.281 56.100 0.109 0.000 0.960 307 R CB -0.402 29.965 30.300 0.111 0.000 0.856 307 R HN 0.310 nan 8.270 nan 0.000 0.436 308 L N 0.219 121.465 121.223 0.039 0.000 2.131 308 L HA -0.164 4.176 4.340 0.000 0.000 0.210 308 L C 1.895 178.752 176.870 -0.021 0.000 1.092 308 L CA 0.598 55.467 54.840 0.048 0.000 0.759 308 L CB -0.265 41.886 42.059 0.154 0.000 0.903 308 L HN 0.143 nan 8.230 nan 0.000 0.435 309 L N -0.048 121.159 121.223 -0.027 0.000 2.551 309 L HA -0.056 4.284 4.340 0.000 0.000 0.228 309 L C 0.792 177.742 176.870 0.133 0.000 1.153 309 L CA 0.870 55.697 54.840 -0.022 0.000 0.851 309 L CB -0.907 41.130 42.059 -0.038 0.000 0.959 309 L HN 0.278 nan 8.230 nan 0.000 0.451 310 E N -0.332 119.938 120.200 0.118 0.000 2.271 310 E HA -0.236 4.114 4.350 0.000 0.000 0.223 310 E C -0.410 176.334 176.600 0.240 0.000 1.223 310 E CA 0.095 56.586 56.400 0.151 0.000 0.704 310 E CB -1.666 28.083 29.700 0.081 0.000 1.194 310 E HN 0.333 nan 8.360 nan 0.000 0.375 311 L N 0.719 122.054 121.223 0.188 0.000 2.334 311 L HA 0.572 4.913 4.340 0.000 0.000 0.273 311 L C -1.996 174.998 176.870 0.207 0.000 1.013 311 L CA -2.262 52.679 54.840 0.169 0.000 0.816 311 L CB 1.314 43.440 42.059 0.110 0.000 1.278 311 L HN -0.109 nan 8.230 nan 0.000 0.431 312 P HA 0.281 nan 4.420 nan 0.000 0.286 312 P C -1.752 175.700 177.300 0.253 0.000 1.269 312 P CA -0.125 63.038 63.100 0.105 0.000 0.787 312 P CB 0.784 32.502 31.700 0.030 0.000 0.920 313 Y N 0.785 121.198 120.300 0.188 0.000 2.644 313 Y HA 0.788 5.338 4.550 0.000 0.000 0.338 313 Y C -0.587 175.377 175.900 0.107 0.000 1.119 313 Y CA -1.521 56.705 58.100 0.211 0.000 1.060 313 Y CB 1.586 40.097 38.460 0.085 0.000 1.294 313 Y HN 0.510 nan 8.280 nan 0.000 0.472 314 R N 1.769 122.364 120.500 0.158 0.000 2.771 314 R HA 0.793 5.133 4.340 0.000 0.000 0.274 314 R C -2.000 174.339 176.300 0.065 0.000 0.987 314 R CA -0.955 55.102 56.100 -0.072 0.000 0.908 314 R CB 1.995 32.008 30.300 -0.478 0.000 1.213 314 R HN 0.822 nan 8.270 nan 0.000 0.468 315 L N 1.718 122.968 121.223 0.045 0.000 2.334 315 L HA 0.655 4.996 4.340 0.000 0.000 0.275 315 L C -0.560 176.313 176.870 0.005 0.000 1.036 315 L CA -1.465 53.401 54.840 0.044 0.000 0.807 315 L CB 1.915 44.007 42.059 0.056 0.000 1.231 315 L HN 0.365 nan 8.230 nan 0.000 0.438 316 V N 1.210 121.135 119.914 0.018 0.000 2.531 316 V HA 0.213 4.334 4.120 0.000 0.000 0.301 316 V C -0.315 175.810 176.094 0.050 0.000 1.034 316 V CA -0.607 61.703 62.300 0.017 0.000 0.865 316 V CB 2.038 33.865 31.823 0.007 0.000 0.995 316 V HN 0.702 nan 8.190 nan 0.000 0.424 317 E N 3.793 124.031 120.200 0.063 0.000 2.257 317 E HA 0.364 4.715 4.350 0.000 0.000 0.278 317 E C -0.710 175.939 176.600 0.083 0.000 1.049 317 E CA 0.042 56.502 56.400 0.101 0.000 0.876 317 E CB 1.288 31.066 29.700 0.129 0.000 1.035 317 E HN 0.424 nan 8.360 nan 0.000 0.419 318 V N 4.026 123.995 119.914 0.093 0.000 2.509 318 V HA 0.547 4.667 4.120 0.000 0.000 0.284 318 V C 0.551 176.681 176.094 0.060 0.000 1.047 318 V CA -0.292 62.048 62.300 0.067 0.000 0.952 318 V CB 1.181 33.043 31.823 0.066 0.000 0.988 318 V HN 0.896 nan 8.190 nan 0.000 0.469 319 A N 3.254 126.092 122.820 0.030 0.000 2.287 319 A HA 0.480 4.800 4.320 0.000 0.000 0.273 319 A C 1.531 179.113 177.584 -0.003 0.000 1.091 319 A CA 0.331 52.369 52.037 0.002 0.000 0.817 319 A CB 0.384 19.381 19.000 -0.006 0.000 1.069 319 A HN 1.065 nan 8.150 nan 0.000 0.492 320 T N -1.240 113.295 114.554 -0.031 0.000 2.684 320 T HA -0.103 4.248 4.350 0.000 0.000 0.267 320 T C 1.717 176.409 174.700 -0.013 0.000 1.036 320 T CA 1.738 63.817 62.100 -0.034 0.000 1.148 320 T CB -0.857 67.974 68.868 -0.061 0.000 0.863 320 T HN 0.994 nan 8.240 nan 0.000 0.436 321 G N 0.425 109.221 108.800 -0.007 0.000 2.598 321 G HA2 -0.027 3.933 3.960 0.000 0.000 0.215 321 G HA3 -0.027 3.933 3.960 0.000 0.000 0.215 321 G C 1.130 176.043 174.900 0.021 0.000 1.131 321 G CA 0.765 45.869 45.100 0.006 0.000 0.785 321 G HN 0.601 nan 8.290 nan 0.000 0.539 322 D N -0.340 120.074 120.400 0.023 0.000 2.449 322 D HA 0.069 4.710 4.640 0.000 0.000 0.210 322 D C 2.584 178.911 176.300 0.045 0.000 1.094 322 D CA -0.038 53.985 54.000 0.038 0.000 0.846 322 D CB -0.005 40.814 40.800 0.032 0.000 1.003 322 D HN 0.358 nan 8.370 nan 0.000 0.504 323 M N -1.635 117.986 119.600 0.035 0.000 2.447 323 M HA 0.322 4.803 4.480 0.000 0.000 0.264 323 M C 0.914 177.237 176.300 0.038 0.000 1.095 323 M CA 0.764 56.085 55.300 0.036 0.000 1.125 323 M CB 0.150 32.767 32.600 0.027 0.000 1.389 323 M HN -0.087 nan 8.290 nan 0.000 0.459 324 G N 0.851 109.678 108.800 0.045 0.000 2.629 324 G HA2 -0.070 3.890 3.960 0.000 0.000 0.686 324 G HA3 -0.070 3.890 3.960 0.000 0.000 0.686 324 G C -2.726 172.130 174.900 -0.073 0.000 1.232 324 G CA -0.683 44.459 45.100 0.071 0.000 0.803 324 G HN 0.108 nan 8.290 nan 0.000 0.638 325 P HA -0.014 nan 4.420 nan 0.000 0.215 325 P C 1.858 178.761 177.300 -0.662 0.000 1.157 325 P CA 2.199 65.147 63.100 -0.253 0.000 0.868 325 P CB 0.043 31.673 31.700 -0.117 0.000 0.788 326 G N -1.644 106.468 108.800 -1.147 0.000 3.088 326 G HA2 0.000 3.961 3.960 0.000 0.000 0.212 326 G HA3 0.000 3.961 3.960 0.000 0.000 0.212 326 G C 0.303 174.818 174.900 -0.642 0.000 1.173 326 G CA 0.028 44.068 45.100 -1.766 0.000 0.779 326 G HN 0.193 nan 8.290 nan 0.000 0.540 327 K N -0.414 119.802 120.400 -0.308 0.000 2.130 327 K HA 0.302 4.623 4.320 0.000 0.000 0.268 327 K C 0.375 177.004 176.600 0.050 0.000 0.983 327 K CA -1.006 55.238 56.287 -0.071 0.000 0.893 327 K CB 1.525 34.012 32.500 -0.021 0.000 1.066 327 K HN 0.195 nan 8.250 nan 0.000 0.450 328 W N 3.892 125.136 121.300 -0.093 0.000 2.525 328 W HA 0.122 4.782 4.660 0.000 0.000 0.288 328 W C -0.167 176.348 176.519 -0.006 0.000 1.200 328 W CA 0.532 57.841 57.345 -0.059 0.000 1.349 328 W CB 0.603 29.988 29.460 -0.125 0.000 1.102 328 W HN 0.441 nan 8.180 nan 0.000 0.558 329 R N 1.042 121.501 120.500 -0.068 0.000 2.643 329 R HA 0.216 4.556 4.340 0.000 0.000 0.269 329 R C -1.661 174.631 176.300 -0.012 0.000 1.037 329 R CA -0.437 55.488 56.100 -0.291 0.000 0.894 329 R CB 1.966 31.716 30.300 -0.915 0.000 1.238 329 R HN -0.000 nan 8.270 nan 0.000 0.459 330 Q N 2.987 122.830 119.800 0.073 0.000 2.289 330 Q HA 0.468 4.808 4.340 0.000 0.000 0.270 330 Q C -1.909 174.215 176.000 0.206 0.000 1.038 330 Q CA -0.793 55.125 55.803 0.193 0.000 0.812 330 Q CB 2.719 31.526 28.738 0.115 0.000 1.300 330 Q HN 0.421 nan 8.270 nan 0.000 0.427 331 V N 3.729 123.784 119.914 0.235 0.000 2.483 331 V HA 0.320 4.441 4.120 0.000 0.000 0.297 331 V C -0.974 175.145 176.094 0.043 0.000 1.027 331 V CA -0.767 61.615 62.300 0.136 0.000 0.855 331 V CB 1.948 33.874 31.823 0.172 0.000 0.995 331 V HN 0.765 nan 8.190 nan 0.000 0.424 332 D N 4.462 124.888 120.400 0.043 0.000 2.210 332 D HA 0.506 5.146 4.640 0.000 0.000 0.249 332 D C -0.150 176.167 176.300 0.028 0.000 1.078 332 D CA 0.005 54.025 54.000 0.033 0.000 0.875 332 D CB 2.029 42.852 40.800 0.038 0.000 1.175 332 D HN 0.326 nan 8.370 nan 0.000 0.440 333 I N 1.644 122.234 120.570 0.033 0.000 2.353 333 I HA 0.179 4.349 4.170 0.000 0.000 0.293 333 I C 0.599 176.784 176.117 0.112 0.000 0.992 333 I CA -0.413 60.909 61.300 0.036 0.000 1.268 333 I CB 0.981 38.917 38.000 -0.106 0.000 1.387 333 I HN 0.041 nan 8.210 nan 0.000 0.478 334 E N 5.100 125.390 120.200 0.149 0.000 2.199 334 E HA 0.577 4.927 4.350 0.000 0.000 0.269 334 E C -1.262 175.543 176.600 0.343 0.000 0.899 334 E CA -0.768 55.753 56.400 0.202 0.000 0.772 334 E CB 3.040 32.853 29.700 0.188 0.000 1.155 334 E HN 0.245 nan 8.360 nan 0.000 0.408 335 V N 2.610 122.688 119.914 0.273 0.000 2.667 335 V HA 0.170 4.290 4.120 0.000 0.000 0.308 335 V C -0.816 175.353 176.094 0.125 0.000 1.048 335 V CA -0.841 61.618 62.300 0.264 0.000 0.928 335 V CB 1.275 33.175 31.823 0.128 0.000 1.004 335 V HN 0.621 nan 8.190 nan 0.000 0.444 336 Y N 3.939 124.135 120.300 -0.174 0.000 2.436 336 Y HA 0.403 4.953 4.550 0.000 0.000 0.336 336 Y C -0.224 175.533 175.900 -0.239 0.000 1.049 336 Y CA -0.324 57.480 58.100 -0.493 0.000 1.294 336 Y CB 0.933 39.025 38.460 -0.614 0.000 1.179 336 Y HN 0.508 nan 8.280 nan 0.000 0.520 337 L N 10.974 131.771 121.223 -0.709 0.000 2.287 337 L HA 0.431 4.771 4.340 0.000 0.000 0.280 337 L C -2.011 174.470 176.870 -0.647 0.000 1.055 337 L CA -2.430 52.126 54.840 -0.473 0.000 0.863 337 L CB 1.132 42.996 42.059 -0.325 0.000 1.245 337 L HN 0.462 nan 8.230 nan 0.000 0.432 338 P HA -0.232 nan 4.420 nan 0.000 0.218 338 P C 1.425 178.661 177.300 -0.106 0.000 1.154 338 P CA 1.927 64.972 63.100 -0.091 0.000 0.872 338 P CB 0.188 32.004 31.700 0.194 0.000 0.790 339 S N -1.734 113.909 115.700 -0.095 0.000 2.555 339 S HA -0.084 4.387 4.470 0.000 0.000 0.230 339 S C 1.672 176.220 174.600 -0.086 0.000 0.978 339 S CA 0.875 59.036 58.200 -0.066 0.000 0.934 339 S CB -0.677 62.500 63.200 -0.038 0.000 0.766 339 S HN 0.220 nan 8.310 nan 0.000 0.533 340 E N 0.226 120.334 120.200 -0.152 0.000 2.562 340 E HA 0.320 4.670 4.350 0.000 0.000 0.214 340 E C 0.931 177.437 176.600 -0.156 0.000 0.979 340 E CA 0.185 56.502 56.400 -0.138 0.000 1.002 340 E CB 0.193 29.803 29.700 -0.150 0.000 1.048 340 E HN 0.598 nan 8.360 nan 0.000 0.488 341 G N 2.633 111.312 108.800 -0.203 0.000 2.321 341 G HA2 -0.349 3.611 3.960 0.000 0.000 0.287 341 G HA3 -0.349 3.611 3.960 0.000 0.000 0.287 341 G C 0.094 174.918 174.900 -0.127 0.000 1.018 341 G CA 1.403 46.448 45.100 -0.092 0.000 0.855 341 G HN 0.389 nan 8.290 nan 0.000 0.507 342 R N -2.654 117.583 120.500 -0.438 0.000 2.766 342 R HA 0.664 5.004 4.340 0.000 0.000 0.270 342 R C -1.093 174.994 176.300 -0.355 0.000 1.035 342 R CA -1.313 54.672 56.100 -0.192 0.000 0.911 342 R CB 0.896 31.171 30.300 -0.042 0.000 1.243 342 R HN 0.055 nan 8.270 nan 0.000 0.460 343 Y N 0.493 120.790 120.300 -0.005 0.000 2.308 343 Y HA 0.475 5.026 4.550 0.000 0.000 0.329 343 Y C 0.241 176.123 175.900 -0.029 0.000 1.111 343 Y CA -0.362 57.755 58.100 0.029 0.000 1.179 343 Y CB 1.260 39.783 38.460 0.106 0.000 1.201 343 Y HN 0.157 nan 8.280 nan 0.000 0.483 344 R N 2.263 122.811 120.500 0.081 0.000 2.561 344 R HA 0.207 4.547 4.340 0.000 0.000 0.297 344 R C -0.750 175.567 176.300 0.029 0.000 0.969 344 R CA -1.017 55.090 56.100 0.012 0.000 0.879 344 R CB 1.737 31.991 30.300 -0.077 0.000 1.178 344 R HN 0.855 nan 8.270 nan 0.000 0.445 345 E N 0.348 120.555 120.200 0.012 0.000 2.392 345 E HA 0.073 4.424 4.350 0.000 0.000 0.264 345 E C 0.215 176.788 176.600 -0.045 0.000 1.024 345 E CA -0.090 56.317 56.400 0.012 0.000 0.903 345 E CB 0.753 30.456 29.700 0.006 0.000 0.963 345 E HN 0.639 nan 8.360 nan 0.000 0.432 346 T N -0.378 114.165 114.554 -0.019 0.000 2.959 346 T HA 0.151 4.501 4.350 0.000 0.000 0.254 346 T C -0.213 174.295 174.700 -0.322 0.000 1.003 346 T CA -0.159 61.848 62.100 -0.155 0.000 0.950 346 T CB -0.139 68.676 68.868 -0.090 0.000 1.090 346 T HN 0.599 nan 8.240 nan 0.000 0.503 347 H N 0.166 119.196 119.070 -0.068 0.000 2.947 347 H HA 0.698 5.255 4.556 0.000 0.000 0.354 347 H C -1.361 173.934 175.328 -0.056 0.000 1.085 347 H CA -0.575 55.431 56.048 -0.070 0.000 1.253 347 H CB 2.103 31.803 29.762 -0.103 0.000 1.757 347 H HN 0.019 nan 8.280 nan 0.000 0.523 348 S N 1.628 117.365 115.700 0.063 0.000 2.519 348 S HA 0.389 4.860 4.470 0.000 0.000 0.309 348 S C -0.813 173.793 174.600 0.010 0.000 1.100 348 S CA -0.484 57.736 58.200 0.033 0.000 1.059 348 S CB 1.133 64.351 63.200 0.030 0.000 1.008 348 S HN 0.696 nan 8.310 nan 0.000 0.478 349 C N 4.024 123.301 119.300 -0.040 0.000 2.298 349 C HA 0.784 5.244 4.460 0.000 0.000 0.323 349 C C 0.052 175.048 174.990 0.010 0.000 1.284 349 C CA -0.148 58.779 59.018 -0.151 0.000 1.577 349 C CB -0.556 26.919 27.740 -0.441 0.000 2.249 349 C HN 0.854 nan 8.230 nan 0.000 0.497 350 S N 3.150 118.910 115.700 0.099 0.000 2.526 350 S HA 0.866 5.336 4.470 0.000 0.000 0.293 350 S C -0.646 174.145 174.600 0.319 0.000 1.092 350 S CA -0.475 57.872 58.200 0.245 0.000 0.980 350 S CB 1.770 65.056 63.200 0.143 0.000 1.048 350 S HN 1.078 nan 8.310 nan 0.000 0.483 351 A N 1.899 124.924 122.820 0.342 0.000 2.318 351 A HA 0.749 5.069 4.320 0.000 0.000 0.317 351 A C -0.408 177.262 177.584 0.143 0.000 1.159 351 A CA -0.504 51.674 52.037 0.236 0.000 0.799 351 A CB 0.263 19.371 19.000 0.180 0.000 1.194 351 A HN 0.723 nan 8.150 nan 0.000 0.479 352 L N 2.793 124.062 121.223 0.076 0.000 2.959 352 L HA 0.264 4.604 4.340 0.000 0.000 0.259 352 L C 0.595 177.455 176.870 -0.016 0.000 1.185 352 L CA 0.067 54.951 54.840 0.074 0.000 0.998 352 L CB -0.416 41.740 42.059 0.162 0.000 1.337 352 L HN 0.780 nan 8.230 nan 0.000 0.555 353 L N 0.618 121.673 121.223 -0.280 0.000 5.704 353 L HA -0.381 3.959 4.340 0.000 0.000 0.053 353 L C 0.944 177.635 176.870 -0.298 0.000 2.571 353 L CA 2.391 56.754 54.840 -0.796 0.000 1.641 353 L CB -1.075 40.493 42.059 -0.818 0.000 2.792 353 L HN 0.682 nan 8.230 nan 0.000 0.961 354 D N -2.465 117.905 120.400 -0.050 0.000 2.501 354 D HA 0.068 4.708 4.640 0.000 0.000 0.226 354 D C 1.378 177.780 176.300 0.171 0.000 1.198 354 D CA 0.009 54.141 54.000 0.219 0.000 0.830 354 D CB -0.850 40.165 40.800 0.360 0.000 1.014 354 D HN 0.594 nan 8.370 nan 0.000 0.496 355 W N 1.302 122.604 121.300 0.003 0.000 2.436 355 W HA -0.026 4.634 4.660 0.001 0.000 0.284 355 W C 1.723 178.259 176.519 0.028 0.000 1.225 355 W CA 1.273 58.627 57.345 0.015 0.000 1.271 355 W CB 0.344 29.830 29.460 0.044 0.000 1.114 355 W HN -0.017 nan 8.180 nan 0.000 0.559 356 Q N -0.448 119.534 119.800 0.303 0.000 2.250 356 Q HA 0.030 4.370 4.340 0.000 0.000 0.200 356 Q C 2.405 178.460 176.000 0.090 0.000 0.941 356 Q CA 1.062 56.963 55.803 0.163 0.000 0.872 356 Q CB -0.527 28.389 28.738 0.297 0.000 0.965 356 Q HN 0.267 nan 8.270 nan 0.000 0.480 357 A N 1.635 124.544 122.820 0.149 0.000 1.978 357 A HA -0.198 4.122 4.320 0.000 0.000 0.220 357 A C 1.988 179.611 177.584 0.065 0.000 1.170 357 A CA 1.278 53.432 52.037 0.194 0.000 0.636 357 A CB -0.304 18.885 19.000 0.316 0.000 0.810 357 A HN 0.189 nan 8.150 nan 0.000 0.448 358 R N -1.095 119.266 120.500 -0.231 0.000 2.153 358 R HA 0.035 4.375 4.340 0.000 0.000 0.218 358 R C 2.359 178.505 176.300 -0.256 0.000 1.072 358 R CA 1.071 56.857 56.100 -0.524 0.000 0.990 358 R CB -0.143 29.797 30.300 -0.601 0.000 0.889 358 R HN 0.485 nan 8.270 nan 0.000 0.452 359 R N 0.035 120.400 120.500 -0.226 0.000 2.066 359 R HA 0.081 4.421 4.340 0.000 0.000 0.224 359 R C 1.893 178.159 176.300 -0.057 0.000 1.122 359 R CA 1.251 57.237 56.100 -0.190 0.000 0.974 359 R CB -0.011 30.123 30.300 -0.277 0.000 0.871 359 R HN 0.101 nan 8.270 nan 0.000 0.435 360 A N 0.591 123.412 122.820 0.002 0.000 2.275 360 A HA 0.012 4.332 4.320 0.000 0.000 0.212 360 A C 0.262 177.910 177.584 0.106 0.000 1.201 360 A CA -0.064 52.005 52.037 0.055 0.000 0.843 360 A CB -0.432 18.614 19.000 0.078 0.000 0.873 360 A HN 0.608 nan 8.150 nan 0.000 0.492 361 N N -0.538 118.254 118.700 0.153 0.000 2.699 361 N HA -0.127 4.613 4.740 0.000 0.000 0.257 361 N C -1.178 174.471 175.510 0.231 0.000 1.077 361 N CA 0.020 53.215 53.050 0.241 0.000 0.702 361 N CB -1.026 37.555 38.487 0.156 0.000 0.886 361 N HN 0.415 nan 8.380 nan 0.000 0.549 362 L N 1.874 123.277 121.223 0.299 0.000 2.296 362 L HA 0.609 4.949 4.340 0.000 0.000 0.286 362 L C 0.512 177.528 176.870 0.243 0.000 1.023 362 L CA -0.468 54.523 54.840 0.253 0.000 0.812 362 L CB 1.688 43.908 42.059 0.268 0.000 1.223 362 L HN 0.215 nan 8.230 nan 0.000 0.421 363 R N 2.277 122.860 120.500 0.137 0.000 2.739 363 R HA 0.630 4.970 4.340 0.000 0.000 0.271 363 R C -1.706 174.668 176.300 0.124 0.000 1.010 363 R CA -0.898 55.228 56.100 0.043 0.000 0.897 363 R CB 2.651 32.836 30.300 -0.192 0.000 1.236 363 R HN 0.520 nan 8.270 nan 0.000 0.466 364 Y N -1.637 118.619 120.300 -0.073 0.000 2.677 364 Y HA 0.608 5.158 4.550 0.001 0.000 0.334 364 Y C -1.228 174.653 175.900 -0.032 0.000 1.154 364 Y CA -1.518 56.556 58.100 -0.043 0.000 1.070 364 Y CB 1.292 39.735 38.460 -0.028 0.000 1.294 364 Y HN 0.440 nan 8.280 nan 0.000 0.475 365 R N 2.397 122.862 120.500 -0.059 0.000 2.295 365 R HA 0.272 4.613 4.340 0.000 0.000 0.324 365 R C -0.840 175.458 176.300 -0.003 0.000 0.968 365 R CA -0.589 55.431 56.100 -0.132 0.000 0.837 365 R CB 0.521 30.805 30.300 -0.026 0.000 1.133 365 R HN 0.933 nan 8.270 nan 0.000 0.450 366 D N 4.759 125.027 120.400 -0.221 0.000 2.433 366 D HA 0.143 4.784 4.640 0.000 0.000 0.255 366 D C -1.748 174.384 176.300 -0.280 0.000 1.226 366 D CA -1.999 51.941 54.000 -0.101 0.000 1.015 366 D CB 0.641 41.309 40.800 -0.219 0.000 1.091 366 D HN 0.242 nan 8.370 nan 0.000 0.527 367 P HA -0.064 nan 4.420 nan 0.000 0.223 367 P C 0.357 177.503 177.300 -0.256 0.000 1.144 367 P CA 1.051 63.822 63.100 -0.548 0.000 0.783 367 P CB 0.146 31.460 31.700 -0.643 0.000 0.771 368 E N -1.355 118.726 120.200 -0.198 0.000 2.465 368 E HA 0.224 4.575 4.350 0.000 0.000 0.195 368 E C 1.346 177.877 176.600 -0.114 0.000 1.028 368 E CA 0.312 56.633 56.400 -0.132 0.000 0.899 368 E CB -0.414 29.219 29.700 -0.112 0.000 1.032 368 E HN 0.198 nan 8.360 nan 0.000 0.468 369 G N 2.365 111.093 108.800 -0.120 0.000 2.162 369 G HA2 -0.348 3.612 3.960 0.000 0.000 0.260 369 G HA3 -0.348 3.612 3.960 0.000 0.000 0.260 369 G C 0.426 175.255 174.900 -0.117 0.000 0.976 369 G CA 0.517 45.557 45.100 -0.099 0.000 0.655 369 G HN 0.289 nan 8.290 nan 0.000 0.533 370 R N -0.164 120.247 120.500 -0.148 0.000 2.457 370 R HA 0.567 4.908 4.340 0.000 0.000 0.284 370 R C -0.037 176.112 176.300 -0.251 0.000 1.024 370 R CA -0.541 55.459 56.100 -0.166 0.000 1.025 370 R CB 1.027 31.238 30.300 -0.148 0.000 1.063 370 R HN 0.040 nan 8.270 nan 0.000 0.493 371 V N 5.074 124.841 119.914 -0.245 0.000 2.407 371 V HA 0.422 4.542 4.120 0.000 0.000 0.278 371 V C 0.162 176.020 176.094 -0.393 0.000 1.037 371 V CA -0.204 61.901 62.300 -0.325 0.000 0.900 371 V CB 1.286 32.969 31.823 -0.233 0.000 0.983 371 V HN 0.793 nan 8.190 nan 0.000 0.459 372 R N 2.615 122.768 120.500 -0.579 0.000 2.808 372 R HA 0.503 4.844 4.340 0.000 0.000 0.272 372 R C -1.569 174.549 176.300 -0.304 0.000 0.995 372 R CA -0.976 54.864 56.100 -0.434 0.000 0.917 372 R CB 2.021 32.083 30.300 -0.397 0.000 1.217 372 R HN 0.541 nan 8.270 nan 0.000 0.471 373 Y N 0.951 121.275 120.300 0.041 0.000 2.442 373 Y HA 0.175 4.726 4.550 0.000 0.000 0.330 373 Y C 0.987 177.049 175.900 0.271 0.000 1.129 373 Y CA 0.281 58.472 58.100 0.151 0.000 1.365 373 Y CB 0.618 39.163 38.460 0.143 0.000 1.233 373 Y HN 0.633 nan 8.280 nan 0.000 0.529 374 A N 3.351 126.441 122.820 0.450 0.000 2.310 374 A HA 0.386 4.707 4.320 0.000 0.000 0.260 374 A C -1.210 176.586 177.584 0.353 0.000 1.112 374 A CA -0.325 51.876 52.037 0.272 0.000 0.804 374 A CB 0.201 19.278 19.000 0.127 0.000 1.081 374 A HN 0.600 nan 8.150 nan 0.000 0.499 375 Y N -0.025 120.290 120.300 0.024 0.000 2.360 375 Y HA 0.522 5.072 4.550 0.000 0.000 0.337 375 Y C 0.955 176.836 175.900 -0.032 0.000 1.039 375 Y CA -0.859 57.245 58.100 0.007 0.000 1.109 375 Y CB 1.647 40.081 38.460 -0.044 0.000 1.201 375 Y HN 0.799 nan 8.280 nan 0.000 0.458 376 T N 1.406 116.030 114.554 0.117 0.000 2.932 376 T HA 0.917 5.267 4.350 0.000 0.000 0.289 376 T C -0.967 173.729 174.700 -0.006 0.000 1.039 376 T CA -0.785 61.310 62.100 -0.008 0.000 1.024 376 T CB 2.084 71.001 68.868 0.083 0.000 1.090 376 T HN 0.305 nan 8.240 nan 0.000 0.496 377 L N 1.571 122.738 121.223 -0.093 0.000 2.540 377 L HA 0.713 5.054 4.340 0.000 0.000 0.256 377 L C -1.118 175.751 176.870 -0.002 0.000 1.001 377 L CA -0.807 54.039 54.840 0.010 0.000 0.843 377 L CB 2.501 44.586 42.059 0.044 0.000 1.436 377 L HN 1.127 nan 8.230 nan 0.000 0.410 378 N N -0.296 118.457 118.700 0.088 0.000 2.598 378 N HA 0.716 5.456 4.740 0.000 0.000 0.263 378 N C -1.574 173.980 175.510 0.072 0.000 1.254 378 N CA -0.764 52.368 53.050 0.138 0.000 0.863 378 N CB 1.761 40.398 38.487 0.250 0.000 1.586 378 N HN 0.500 nan 8.380 nan 0.000 0.491 379 N N -0.699 118.037 118.700 0.060 0.000 2.396 379 N HA 0.465 5.205 4.740 0.000 0.000 0.275 379 N C -1.525 174.017 175.510 0.054 0.000 1.218 379 N CA -0.368 52.689 53.050 0.013 0.000 0.812 379 N CB 2.202 40.639 38.487 -0.082 0.000 1.592 379 N HN 0.641 nan 8.380 nan 0.000 0.480 380 T N 1.405 116.006 114.554 0.080 0.000 2.946 380 T HA 0.349 4.699 4.350 0.000 0.000 0.311 380 T C 1.134 175.922 174.700 0.147 0.000 1.063 380 T CA 0.420 62.575 62.100 0.091 0.000 1.139 380 T CB 0.865 69.739 68.868 0.010 0.000 0.994 380 T HN 0.598 nan 8.240 nan 0.000 0.547 381 A N 2.509 125.375 122.820 0.077 0.000 1.920 381 A HA 0.546 4.867 4.320 0.000 0.000 0.209 381 A C 0.341 177.986 177.584 0.102 0.000 1.229 381 A CA 0.409 52.481 52.037 0.058 0.000 0.671 381 A CB 0.177 19.172 19.000 -0.009 0.000 0.886 381 A HN 0.567 nan 8.150 nan 0.000 0.461 382 L N -1.732 119.495 121.223 0.007 0.000 2.705 382 L HA 0.609 4.950 4.340 0.000 0.000 0.260 382 L C -1.231 175.617 176.870 -0.038 0.000 0.921 382 L CA 0.069 54.877 54.840 -0.054 0.000 0.948 382 L CB 1.273 43.328 42.059 -0.007 0.000 1.427 382 L HN 0.343 nan 8.230 nan 0.000 0.432 383 A N 2.414 125.181 122.820 -0.087 0.000 2.304 383 A HA 0.820 5.140 4.320 0.000 0.000 0.314 383 A C -0.124 177.461 177.584 0.002 0.000 1.187 383 A CA 0.043 52.105 52.037 0.042 0.000 0.810 383 A CB 0.945 19.968 19.000 0.040 0.000 1.183 383 A HN 0.761 nan 8.150 nan 0.000 0.487 384 T N 0.470 115.085 114.554 0.102 0.000 2.928 384 T HA 0.646 4.996 4.350 0.000 0.000 0.284 384 T C -1.991 172.743 174.700 0.058 0.000 1.008 384 T CA -1.623 60.496 62.100 0.033 0.000 1.057 384 T CB 1.738 70.652 68.868 0.076 0.000 1.018 384 T HN 0.374 nan 8.240 nan 0.000 0.493 385 P HA 0.144 nan 4.420 nan 0.000 0.257 385 P C 1.268 178.386 177.300 -0.303 0.000 1.241 385 P CA -0.128 62.797 63.100 -0.293 0.000 0.816 385 P CB 0.297 31.581 31.700 -0.693 0.000 1.150 386 R N 1.502 121.809 120.500 -0.322 0.000 2.091 386 R HA -0.133 4.207 4.340 0.000 0.000 0.238 386 R C 2.134 178.263 176.300 -0.286 0.000 1.136 386 R CA 1.914 57.819 56.100 -0.326 0.000 0.959 386 R CB -0.856 29.238 30.300 -0.344 0.000 0.856 386 R HN 0.164 nan 8.270 nan 0.000 0.437 387 I N -0.530 119.895 120.570 -0.242 0.000 2.756 387 I HA -0.157 4.013 4.170 0.000 0.000 0.262 387 I C 1.903 177.887 176.117 -0.221 0.000 1.225 387 I CA 1.016 62.187 61.300 -0.214 0.000 1.472 387 I CB -0.268 37.623 38.000 -0.182 0.000 1.094 387 I HN 0.088 nan 8.210 nan 0.000 0.454 388 L N 1.063 122.150 121.223 -0.227 0.000 2.201 388 L HA -0.087 4.253 4.340 0.000 0.000 0.212 388 L C 2.908 179.654 176.870 -0.207 0.000 1.105 388 L CA 1.073 55.801 54.840 -0.186 0.000 0.775 388 L CB -0.607 41.364 42.059 -0.145 0.000 0.913 388 L HN 0.381 nan 8.230 nan 0.000 0.440 389 A N -0.216 122.394 122.820 -0.350 0.000 1.902 389 A HA -0.241 4.079 4.320 0.000 0.000 0.217 389 A C 2.186 179.566 177.584 -0.340 0.000 1.181 389 A CA 1.944 53.633 52.037 -0.579 0.000 0.623 389 A CB -0.374 18.051 19.000 -0.960 0.000 0.818 389 A HN 0.316 nan 8.150 nan 0.000 0.443 390 M N -0.778 118.665 119.600 -0.261 0.000 2.236 390 M HA 0.119 4.599 4.480 0.000 0.000 0.266 390 M C 1.942 178.128 176.300 -0.190 0.000 1.070 390 M CA 0.892 56.080 55.300 -0.187 0.000 1.137 390 M CB -0.399 32.109 32.600 -0.153 0.000 1.378 390 M HN 0.326 nan 8.290 nan 0.000 0.426 391 L N -0.624 120.470 121.223 -0.216 0.000 2.046 391 L HA -0.211 4.129 4.340 0.000 0.000 0.208 391 L C 2.256 179.030 176.870 -0.161 0.000 1.077 391 L CA 1.124 55.785 54.840 -0.298 0.000 0.747 391 L CB -0.745 41.228 42.059 -0.143 0.000 0.896 391 L HN 0.298 nan 8.230 nan 0.000 0.432 392 L N -0.532 120.669 121.223 -0.037 0.000 1.994 392 L HA -0.224 4.116 4.340 0.000 0.000 0.208 392 L C 2.613 179.538 176.870 0.092 0.000 1.071 392 L CA 1.528 56.406 54.840 0.065 0.000 0.745 392 L CB -0.582 41.534 42.059 0.094 0.000 0.892 392 L HN 0.297 nan 8.230 nan 0.000 0.431 393 E N -0.122 120.110 120.200 0.053 0.000 2.150 393 E HA -0.164 4.187 4.350 0.000 0.000 0.193 393 E C 1.724 178.449 176.600 0.209 0.000 0.985 393 E CA 0.868 57.323 56.400 0.091 0.000 0.814 393 E CB -0.087 29.640 29.700 0.046 0.000 0.752 393 E HN 0.508 nan 8.360 nan 0.000 0.466 394 N N -0.033 118.749 118.700 0.136 0.000 2.422 394 N HA -0.029 4.711 4.740 0.000 0.000 0.181 394 N C 0.662 176.404 175.510 0.387 0.000 1.080 394 N CA 0.626 53.816 53.050 0.234 0.000 0.893 394 N CB 0.235 38.759 38.487 0.062 0.000 0.973 394 N HN 0.375 nan 8.380 nan 0.000 0.456 395 H N 0.113 119.309 119.070 0.210 0.000 2.674 395 H HA 0.093 4.649 4.556 0.001 0.000 0.274 395 H C 0.214 175.672 175.328 0.216 0.000 1.121 395 H CA -0.473 55.683 56.048 0.180 0.000 1.132 395 H CB 0.762 30.588 29.762 0.106 0.000 1.606 395 H HN 0.272 nan 8.280 nan 0.000 0.558 396 Q N 1.523 121.548 119.800 0.374 0.000 2.361 396 Q HA 0.162 4.502 4.340 0.000 0.000 0.276 396 Q C -0.642 175.574 176.000 0.360 0.000 1.022 396 Q CA 0.246 56.228 55.803 0.298 0.000 0.898 396 Q CB 1.298 30.170 28.738 0.223 0.000 1.246 396 Q HN 0.328 nan 8.270 nan 0.000 0.410 397 L N 1.919 123.227 121.223 0.142 0.000 2.387 397 L HA 0.131 4.471 4.340 0.000 0.000 0.266 397 L C 1.625 178.225 176.870 -0.450 0.000 1.059 397 L CA -0.846 53.998 54.840 0.007 0.000 0.801 397 L CB 1.209 43.263 42.059 -0.008 0.000 1.223 397 L HN 0.824 nan 8.230 nan 0.000 0.456 398 Q N 0.661 120.020 119.800 -0.735 0.000 2.096 398 Q HA -0.212 4.129 4.340 0.000 0.000 0.204 398 Q C 1.020 176.656 176.000 -0.607 0.000 0.982 398 Q CA 1.894 56.987 55.803 -1.183 0.000 0.850 398 Q CB -0.172 28.221 28.738 -0.575 0.000 0.901 398 Q HN 0.757 nan 8.270 nan 0.000 0.422 399 D N -0.938 119.268 120.400 -0.325 0.000 2.378 399 D HA -0.011 4.629 4.640 0.000 0.000 0.227 399 D C 1.141 177.325 176.300 -0.193 0.000 1.012 399 D CA 0.973 54.846 54.000 -0.212 0.000 0.905 399 D CB -0.210 40.511 40.800 -0.131 0.000 0.895 399 D HN 0.385 nan 8.370 nan 0.000 0.532 400 G N -0.155 108.518 108.800 -0.213 0.000 2.175 400 G HA2 -0.326 3.635 3.960 0.000 0.000 0.244 400 G HA3 -0.326 3.635 3.960 0.000 0.000 0.244 400 G C 0.472 175.322 174.900 -0.084 0.000 0.982 400 G CA -0.000 45.009 45.100 -0.151 0.000 0.641 400 G HN 0.461 nan 8.290 nan 0.000 0.527 401 R N -0.638 119.839 120.500 -0.038 0.000 2.738 401 R HA 0.573 4.914 4.340 0.000 0.000 0.275 401 R C -0.154 176.244 176.300 0.162 0.000 1.121 401 R CA 0.026 56.180 56.100 0.091 0.000 1.207 401 R CB 0.893 31.228 30.300 0.058 0.000 1.141 401 R HN 0.121 nan 8.270 nan 0.000 0.571 402 V N 1.557 121.606 119.914 0.225 0.000 2.709 402 V HA 0.304 4.425 4.120 0.000 0.000 0.308 402 V C -0.307 175.826 176.094 0.065 0.000 1.062 402 V CA -0.931 61.469 62.300 0.168 0.000 0.901 402 V CB 1.807 33.740 31.823 0.183 0.000 1.003 402 V HN 0.770 nan 8.190 nan 0.000 0.425 403 R N 3.387 123.927 120.500 0.067 0.000 2.500 403 R HA 0.753 5.094 4.340 0.000 0.000 0.275 403 R C -0.520 175.750 176.300 -0.050 0.000 1.051 403 R CA -0.511 55.581 56.100 -0.014 0.000 1.088 403 R CB 1.645 31.926 30.300 -0.031 0.000 1.063 403 R HN 0.559 nan 8.270 nan 0.000 0.511 404 V N 0.279 120.131 119.914 -0.102 0.000 2.427 404 V HA 0.500 4.620 4.120 0.000 0.000 0.286 404 V C -2.310 173.757 176.094 -0.046 0.000 1.034 404 V CA -2.800 59.450 62.300 -0.082 0.000 0.893 404 V CB 1.096 32.808 31.823 -0.185 0.000 0.982 404 V HN 0.868 nan 8.190 nan 0.000 0.452 405 P HA -0.029 nan 4.420 nan 0.000 0.264 405 P C 0.329 177.602 177.300 -0.046 0.000 1.173 405 P CA 0.461 63.519 63.100 -0.070 0.000 0.761 405 P CB 0.713 32.406 31.700 -0.012 0.000 0.794 406 Q N 3.108 122.883 119.800 -0.041 0.000 2.156 406 Q HA -0.242 4.099 4.340 0.000 0.000 0.211 406 Q C 2.308 178.320 176.000 0.021 0.000 0.995 406 Q CA 3.099 58.898 55.803 -0.007 0.000 0.877 406 Q CB -1.137 27.601 28.738 0.001 0.000 0.920 406 Q HN 0.667 nan 8.270 nan 0.000 0.416 407 A N -0.987 121.836 122.820 0.005 0.000 2.067 407 A HA -0.057 4.263 4.320 0.000 0.000 0.219 407 A C 1.683 179.290 177.584 0.038 0.000 1.158 407 A CA 0.888 52.952 52.037 0.045 0.000 0.661 407 A CB -0.185 18.823 19.000 0.014 0.000 0.801 407 A HN 0.352 nan 8.150 nan 0.000 0.452 408 L N -0.712 120.483 121.223 -0.046 0.000 2.607 408 L HA 0.228 4.568 4.340 0.000 0.000 0.228 408 L C 1.851 178.822 176.870 0.169 0.000 1.123 408 L CA 0.092 54.949 54.840 0.028 0.000 0.890 408 L CB 0.018 42.028 42.059 -0.082 0.000 1.103 408 L HN 0.341 nan 8.230 nan 0.000 0.468 409 I N 0.582 121.214 120.570 0.104 0.000 2.179 409 I HA -0.196 3.974 4.170 0.000 0.000 0.242 409 I C -0.337 175.828 176.117 0.081 0.000 1.088 409 I CA 1.313 62.654 61.300 0.068 0.000 1.357 409 I CB -1.197 36.821 38.000 0.030 0.000 1.051 409 I HN 0.224 nan 8.210 nan 0.000 0.409 410 P HA -0.196 nan 4.420 nan 0.000 0.217 410 P C 1.191 178.415 177.300 -0.128 0.000 1.148 410 P CA 1.658 64.726 63.100 -0.053 0.000 0.828 410 P CB -0.134 31.491 31.700 -0.124 0.000 0.783 411 Y N -2.614 117.715 120.300 0.048 0.000 2.457 411 Y HA 0.031 4.581 4.550 0.001 0.000 0.292 411 Y C 2.320 178.248 175.900 0.048 0.000 1.125 411 Y CA 0.718 58.852 58.100 0.057 0.000 1.254 411 Y CB -0.329 38.176 38.460 0.076 0.000 1.012 411 Y HN -0.090 nan 8.280 nan 0.000 0.555 412 M N -2.085 117.617 119.600 0.171 0.000 2.571 412 M HA 0.311 4.791 4.480 0.000 0.000 0.259 412 M C 1.783 178.108 176.300 0.041 0.000 1.205 412 M CA 1.085 56.444 55.300 0.099 0.000 1.138 412 M CB -0.259 32.374 32.600 0.055 0.000 1.329 412 M HN 0.334 nan 8.290 nan 0.000 0.503 413 G N 2.273 111.089 108.800 0.026 0.000 2.176 413 G HA2 -0.262 3.699 3.960 0.000 0.000 0.253 413 G HA3 -0.262 3.699 3.960 0.000 0.000 0.253 413 G C 0.166 175.065 174.900 -0.000 0.000 0.979 413 G CA 0.828 45.931 45.100 0.007 0.000 0.641 413 G HN 0.501 nan 8.290 nan 0.000 0.530 414 K N -1.167 119.229 120.400 -0.007 0.000 2.556 414 K HA 0.703 5.024 4.320 0.000 0.000 0.274 414 K C 0.145 176.725 176.600 -0.034 0.000 0.966 414 K CA -0.515 55.761 56.287 -0.019 0.000 0.865 414 K CB 1.601 34.086 32.500 -0.025 0.000 1.444 414 K HN 0.005 nan 8.250 nan 0.000 0.433 415 E N 0.446 120.627 120.200 -0.032 0.000 2.447 415 E HA 0.092 4.442 4.350 0.000 0.000 0.195 415 E C -0.744 175.822 176.600 -0.056 0.000 1.028 415 E CA 0.105 56.482 56.400 -0.040 0.000 0.876 415 E CB 0.721 30.406 29.700 -0.024 0.000 0.885 415 E HN 0.355 nan 8.360 nan 0.000 0.500 416 V N 1.476 121.358 119.914 -0.054 0.000 2.841 416 V HA 0.284 4.404 4.120 0.000 0.000 0.310 416 V C -0.513 175.549 176.094 -0.054 0.000 1.090 416 V CA -0.819 61.454 62.300 -0.045 0.000 0.930 416 V CB 2.147 33.969 31.823 -0.003 0.000 1.014 416 V HN 0.111 nan 8.190 nan 0.000 0.425 417 L N 2.989 124.175 121.223 -0.061 0.000 2.305 417 L HA 0.512 4.852 4.340 0.000 0.000 0.281 417 L C -0.031 176.993 176.870 0.257 0.000 1.085 417 L CA -0.189 54.629 54.840 -0.036 0.000 0.813 417 L CB 1.196 43.075 42.059 -0.300 0.000 1.157 417 L HN 0.632 nan 8.230 nan 0.000 0.436 418 E N 5.452 125.817 120.200 0.275 0.000 2.214 418 E HA 0.383 4.734 4.350 0.000 0.000 0.274 418 E C -2.368 174.464 176.600 0.388 0.000 0.977 418 E CA -1.963 54.593 56.400 0.259 0.000 0.827 418 E CB 1.357 31.139 29.700 0.137 0.000 1.130 418 E HN 0.198 nan 8.360 nan 0.000 0.394 419 P HA -0.054 nan 4.420 nan 0.000 0.266 419 P C -0.433 176.898 177.300 0.051 0.000 1.195 419 P CA -0.142 62.901 63.100 -0.095 0.000 0.768 419 P CB 0.570 32.164 31.700 -0.176 0.000 0.838 420 C N 3.719 123.043 119.300 0.040 0.000 2.225 420 C HA 0.752 5.212 4.460 0.000 0.000 0.328 420 C C 0.655 175.668 174.990 0.037 0.000 1.187 420 C CA 0.708 59.793 59.018 0.113 0.000 1.665 420 C CB -1.439 26.423 27.740 0.203 0.000 2.253 420 C HN 0.792 nan 8.230 nan 0.000 0.497 421 G N 0.000 108.820 108.800 0.033 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 45.109 45.100 0.015 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925