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 2awa_1_D DATA FIRST_RESID 0 DATA SEQUENCE HXIHFSINKN LFLQALNTTK RAISSKNAIP ILSTVKIDVT NEGITLIGSN DATA SEQUENCE GQISIENFIS QKNEDAGLLI TSLGSILLEA SFFINVVSSL PDVTLDFKEI DATA SEQUENCE EQNQIVLTSG KSEITLKGKD SEQYPRIQEI SASTPLILET KLLKKIINET DATA SEQUENCE AFAASTQESR PILTGVHFVL SQHKELKTVA TDSHRLSQKK LTLEKNSDDF DATA SEQUENCE DVVIPSRSLR EFSAVFTDDI ETVEIFFANN QILFRSENIS FYTRLLEGNY DATA SEQUENCE PDTDRLIPTD FNTTITFNVV NLRQSXERAR LLSSATQNGT VKLEIKDGVV DATA SEQUENCE SAHVHSPEVG KVNEEIDTDQ VTGEDLTISF NPTYLIDSLK ALNSEKVTIS DATA SEQUENCE FISAVRPFTL VPADTDEDFX QLITPVR 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.359 175.328 0.052 0.000 0.993 0 H CA 0.000 56.071 56.048 0.039 0.000 1.023 0 H CB 0.000 29.780 29.762 0.029 0.000 1.292 3 H N 6.927 126.095 119.070 0.162 0.000 3.017 3 H HA 0.603 5.159 4.556 0.001 0.000 0.340 3 H C -2.145 173.273 175.328 0.150 0.000 1.014 3 H CA -0.426 55.679 56.048 0.095 0.000 1.341 3 H CB 1.782 31.569 29.762 0.043 0.000 1.739 3 H HN 0.499 nan 8.280 nan 0.000 0.506 4 F N 1.987 121.660 119.950 -0.462 0.000 2.626 4 F HA 0.634 5.161 4.527 0.000 0.000 0.311 4 F C -0.991 174.514 175.800 -0.491 0.000 1.088 4 F CA -1.028 56.725 58.000 -0.411 0.000 0.949 4 F CB 1.437 40.265 39.000 -0.287 0.000 1.322 4 F HN 0.336 nan 8.300 nan 0.000 0.461 5 S N 2.526 118.153 115.700 -0.121 0.000 2.578 5 S HA 0.883 5.354 4.470 0.000 0.000 0.301 5 S C -1.032 173.596 174.600 0.047 0.000 1.091 5 S CA -0.632 57.513 58.200 -0.091 0.000 1.032 5 S CB 1.898 65.069 63.200 -0.049 0.000 1.064 5 S HN 1.097 nan 8.310 nan 0.000 0.508 6 I N 1.129 121.698 120.570 -0.002 0.000 2.908 6 I HA 0.332 4.502 4.170 0.000 0.000 0.300 6 I C -1.142 174.967 176.117 -0.013 0.000 1.385 6 I CA -0.672 60.614 61.300 -0.023 0.000 1.004 6 I CB 2.056 39.997 38.000 -0.098 0.000 1.309 6 I HN 0.902 nan 8.210 nan 0.000 0.449 7 N N 5.759 124.458 118.700 -0.002 0.000 2.440 7 N HA -0.017 4.723 4.740 0.000 0.000 0.265 7 N C 0.645 176.194 175.510 0.066 0.000 1.239 7 N CA 0.412 53.474 53.050 0.020 0.000 0.909 7 N CB 1.120 39.613 38.487 0.010 0.000 1.066 7 N HN 0.674 nan 8.380 nan 0.000 0.474 8 K N 4.022 124.463 120.400 0.068 0.000 2.009 8 K HA -0.196 4.124 4.320 0.000 0.000 0.210 8 K C 1.170 177.828 176.600 0.098 0.000 1.049 8 K CA 1.423 57.776 56.287 0.110 0.000 0.929 8 K CB 0.037 32.572 32.500 0.060 0.000 0.714 8 K HN 0.535 nan 8.250 nan 0.000 0.440 9 N N 1.260 119.985 118.700 0.043 0.000 2.069 9 N HA -0.208 4.532 4.740 0.000 0.000 0.191 9 N C 1.834 177.353 175.510 0.016 0.000 1.031 9 N CA 1.148 54.206 53.050 0.013 0.000 0.852 9 N CB -0.364 38.122 38.487 -0.002 0.000 1.018 9 N HN 0.229 nan 8.380 nan 0.000 0.423 10 L N -0.412 120.831 121.223 0.034 0.000 2.046 10 L HA -0.119 4.222 4.340 0.000 0.000 0.208 10 L C 2.142 179.056 176.870 0.074 0.000 1.077 10 L CA 1.115 55.972 54.840 0.028 0.000 0.747 10 L CB -0.306 41.763 42.059 0.016 0.000 0.896 10 L HN -0.006 nan 8.230 nan 0.000 0.432 11 F N -0.020 119.896 119.950 -0.056 0.000 2.095 11 F HA -0.261 4.266 4.527 0.001 0.000 0.298 11 F C 2.083 177.840 175.800 -0.072 0.000 1.104 11 F CA 1.890 59.858 58.000 -0.054 0.000 1.232 11 F CB -0.552 38.447 39.000 -0.001 0.000 0.987 11 F HN 0.112 nan 8.300 nan 0.000 0.475 12 L N 0.541 121.699 121.223 -0.109 0.000 2.046 12 L HA -0.199 4.141 4.340 0.000 0.000 0.208 12 L C 2.481 179.241 176.870 -0.184 0.000 1.077 12 L CA 1.967 56.669 54.840 -0.230 0.000 0.747 12 L CB -1.178 40.797 42.059 -0.139 0.000 0.896 12 L HN 0.349 nan 8.230 nan 0.000 0.432 13 Q N -0.846 118.888 119.800 -0.111 0.000 2.045 13 Q HA -0.263 4.078 4.340 0.000 0.000 0.206 13 Q C 2.181 178.111 176.000 -0.116 0.000 0.991 13 Q CA 2.240 57.985 55.803 -0.097 0.000 0.851 13 Q CB -0.282 28.417 28.738 -0.065 0.000 0.911 13 Q HN 0.668 nan 8.270 nan 0.000 0.418 14 A N 0.250 123.002 122.820 -0.114 0.000 1.902 14 A HA -0.169 4.151 4.320 0.000 0.000 0.217 14 A C 2.015 179.507 177.584 -0.154 0.000 1.181 14 A CA 1.301 53.270 52.037 -0.113 0.000 0.623 14 A CB -0.671 18.289 19.000 -0.066 0.000 0.818 14 A HN 0.442 nan 8.150 nan 0.000 0.443 15 L N -0.391 120.678 121.223 -0.257 0.000 2.093 15 L HA -0.154 4.187 4.340 0.000 0.000 0.208 15 L C 2.235 179.010 176.870 -0.159 0.000 1.085 15 L CA 1.011 55.698 54.840 -0.255 0.000 0.755 15 L CB -0.512 41.287 42.059 -0.434 0.000 0.904 15 L HN 0.343 nan 8.230 nan 0.000 0.435 16 N N -0.759 117.848 118.700 -0.154 0.000 2.244 16 N HA -0.118 4.623 4.740 0.000 0.000 0.183 16 N C 1.826 177.286 175.510 -0.084 0.000 1.016 16 N CA 1.531 54.516 53.050 -0.108 0.000 0.866 16 N CB -0.237 38.188 38.487 -0.104 0.000 0.980 16 N HN 0.253 nan 8.380 nan 0.000 0.430 17 T N 0.338 114.834 114.554 -0.097 0.000 2.708 17 T HA -0.081 4.269 4.350 0.000 0.000 0.266 17 T C 1.850 176.514 174.700 -0.059 0.000 1.037 17 T CA 1.555 63.597 62.100 -0.096 0.000 1.146 17 T CB -0.476 68.316 68.868 -0.128 0.000 0.865 17 T HN 0.280 nan 8.240 nan 0.000 0.435 18 T N 1.564 116.087 114.554 -0.052 0.000 2.833 18 T HA -0.050 4.300 4.350 0.000 0.000 0.269 18 T C 1.898 176.603 174.700 0.008 0.000 1.054 18 T CA 0.905 62.996 62.100 -0.015 0.000 1.135 18 T CB -0.108 68.749 68.868 -0.019 0.000 0.869 18 T HN 0.294 nan 8.240 nan 0.000 0.466 19 K N 0.808 121.204 120.400 -0.006 0.000 2.288 19 K HA -0.037 4.283 4.320 0.000 0.000 0.201 19 K C 2.136 178.751 176.600 0.025 0.000 1.048 19 K CA 0.410 56.705 56.287 0.013 0.000 0.956 19 K CB 0.056 32.553 32.500 -0.005 0.000 0.746 19 K HN 0.080 nan 8.250 nan 0.000 0.461 20 R N -0.214 120.299 120.500 0.022 0.000 2.211 20 R HA -0.127 4.213 4.340 0.000 0.000 0.240 20 R C 1.479 177.822 176.300 0.071 0.000 1.144 20 R CA 1.138 57.265 56.100 0.045 0.000 0.992 20 R CB -0.395 29.934 30.300 0.049 0.000 0.869 20 R HN 0.169 nan 8.270 nan 0.000 0.462 21 A N 0.102 122.960 122.820 0.064 0.000 2.465 21 A HA 0.327 4.648 4.320 0.000 0.000 0.255 21 A C 0.461 178.078 177.584 0.055 0.000 1.274 21 A CA -0.317 51.752 52.037 0.054 0.000 0.920 21 A CB 0.394 19.413 19.000 0.032 0.000 1.033 21 A HN 0.053 nan 8.150 nan 0.000 0.516 22 I N 0.969 121.574 120.570 0.058 0.000 2.418 22 I HA 0.256 4.427 4.170 0.000 0.000 0.287 22 I C -0.567 175.584 176.117 0.057 0.000 1.008 22 I CA -0.345 60.995 61.300 0.066 0.000 1.104 22 I CB 2.185 40.232 38.000 0.079 0.000 1.264 22 I HN -0.004 nan 8.210 nan 0.000 0.438 23 S N 3.477 119.207 115.700 0.051 0.000 2.508 23 S HA 0.400 4.871 4.470 0.000 0.000 0.284 23 S C 1.254 175.881 174.600 0.046 0.000 1.192 23 S CA -0.167 58.059 58.200 0.044 0.000 1.070 23 S CB 1.789 65.011 63.200 0.036 0.000 1.004 23 S HN 0.867 nan 8.310 nan 0.000 0.493 24 S N 2.541 118.267 115.700 0.044 0.000 2.365 24 S HA 0.029 4.499 4.470 0.000 0.000 0.225 24 S C 1.204 175.824 174.600 0.033 0.000 1.039 24 S CA 1.796 60.022 58.200 0.043 0.000 1.033 24 S CB -0.732 62.492 63.200 0.041 0.000 0.887 24 S HN 0.944 nan 8.310 nan 0.000 0.447 25 K N 1.038 121.454 120.400 0.028 0.000 2.172 25 K HA 0.701 5.021 4.320 0.000 0.000 0.276 25 K C -0.728 175.882 176.600 0.018 0.000 1.013 25 K CA -0.464 55.836 56.287 0.021 0.000 0.913 25 K CB 0.264 32.776 32.500 0.019 0.000 1.055 25 K HN 0.650 nan 8.250 nan 0.000 0.461 26 N N -0.420 118.287 118.700 0.011 0.000 2.331 26 N HA 0.525 5.265 4.740 0.000 0.000 0.280 26 N C 0.812 176.320 175.510 -0.004 0.000 1.155 26 N CA -0.054 52.998 53.050 0.003 0.000 0.822 26 N CB 2.243 40.729 38.487 -0.002 0.000 1.619 26 N HN 0.586 nan 8.380 nan 0.000 0.476 27 A N 0.808 123.623 122.820 -0.008 0.000 1.858 27 A HA 0.014 4.335 4.320 0.000 0.000 0.216 27 A C 0.701 178.273 177.584 -0.021 0.000 1.190 27 A CA 1.071 53.100 52.037 -0.012 0.000 0.617 27 A CB -0.311 18.681 19.000 -0.013 0.000 0.827 27 A HN 0.486 nan 8.150 nan 0.000 0.443 28 I N 1.066 121.616 120.570 -0.033 0.000 2.294 28 I HA 0.174 4.344 4.170 0.000 0.000 0.295 28 I C -1.810 174.280 176.117 -0.045 0.000 1.098 28 I CA -1.209 60.061 61.300 -0.050 0.000 1.277 28 I CB 0.042 37.994 38.000 -0.079 0.000 1.434 28 I HN 0.301 nan 8.210 nan 0.000 0.498 29 P HA -0.045 nan 4.420 nan 0.000 0.223 29 P C 1.772 179.069 177.300 -0.006 0.000 1.151 29 P CA 0.497 63.589 63.100 -0.013 0.000 0.787 29 P CB 0.250 31.945 31.700 -0.008 0.000 0.788 30 I N -0.852 119.704 120.570 -0.023 0.000 3.083 30 I HA -0.101 4.069 4.170 0.000 0.000 0.273 30 I C 1.533 177.656 176.117 0.010 0.000 1.297 30 I CA 0.979 62.278 61.300 -0.002 0.000 1.452 30 I CB -0.711 37.273 38.000 -0.027 0.000 1.078 30 I HN -0.147 nan 8.210 nan 0.000 0.484 31 L N -0.275 120.928 121.223 -0.033 0.000 2.599 31 L HA -0.001 4.340 4.340 0.000 0.000 0.230 31 L C 2.145 179.064 176.870 0.081 0.000 1.141 31 L CA 0.771 55.607 54.840 -0.007 0.000 0.877 31 L CB -0.600 41.420 42.059 -0.064 0.000 1.009 31 L HN 0.367 nan 8.230 nan 0.000 0.447 32 S N -2.059 113.687 115.700 0.077 0.000 2.561 32 S HA -0.037 4.433 4.470 0.000 0.000 0.225 32 S C 1.104 175.779 174.600 0.125 0.000 0.977 32 S CA 0.113 58.367 58.200 0.090 0.000 0.926 32 S CB -0.770 62.471 63.200 0.068 0.000 0.769 32 S HN 0.475 nan 8.310 nan 0.000 0.533 33 T N -0.218 114.435 114.554 0.165 0.000 2.899 33 T HA 0.599 4.949 4.350 0.000 0.000 0.284 33 T C -0.240 174.564 174.700 0.173 0.000 1.004 33 T CA -0.707 61.494 62.100 0.170 0.000 1.043 33 T CB 1.492 70.465 68.868 0.176 0.000 1.013 33 T HN 0.167 nan 8.240 nan 0.000 0.518 34 V N 2.056 122.032 119.914 0.104 0.000 2.427 34 V HA 0.496 4.616 4.120 0.000 0.000 0.286 34 V C 0.060 176.109 176.094 -0.075 0.000 1.034 34 V CA -0.963 61.357 62.300 0.034 0.000 0.893 34 V CB 1.086 32.970 31.823 0.101 0.000 0.982 34 V HN 1.054 nan 8.190 nan 0.000 0.452 35 K N 6.483 126.718 120.400 -0.275 0.000 2.258 35 K HA 0.507 4.827 4.320 0.000 0.000 0.284 35 K C -0.915 175.601 176.600 -0.140 0.000 1.051 35 K CA -0.467 55.630 56.287 -0.316 0.000 0.923 35 K CB 0.805 32.901 32.500 -0.675 0.000 1.046 35 K HN 0.745 nan 8.250 nan 0.000 0.474 36 I N 4.372 124.908 120.570 -0.057 0.000 2.359 36 I HA 0.148 4.318 4.170 0.000 0.000 0.284 36 I C -0.650 175.452 176.117 -0.025 0.000 1.018 36 I CA -0.710 60.582 61.300 -0.014 0.000 1.173 36 I CB 1.394 39.421 38.000 0.045 0.000 1.326 36 I HN 0.485 nan 8.210 nan 0.000 0.462 37 D N 6.098 126.475 120.400 -0.038 0.000 2.193 37 D HA 0.433 5.073 4.640 0.000 0.000 0.244 37 D C -0.583 175.693 176.300 -0.039 0.000 1.064 37 D CA -0.110 53.876 54.000 -0.022 0.000 0.845 37 D CB 2.761 43.554 40.800 -0.012 0.000 1.148 37 D HN 0.050 nan 8.370 nan 0.000 0.464 38 V N 2.448 122.348 119.914 -0.023 0.000 2.444 38 V HA 0.507 4.627 4.120 0.000 0.000 0.294 38 V C 0.470 176.563 176.094 -0.001 0.000 1.022 38 V CA -0.586 61.684 62.300 -0.050 0.000 0.850 38 V CB 1.671 33.477 31.823 -0.027 0.000 0.992 38 V HN 0.731 nan 8.190 nan 0.000 0.426 39 T N 0.282 114.837 114.554 0.002 0.000 2.858 39 T HA 0.373 4.723 4.350 0.000 0.000 0.285 39 T C 0.677 175.392 174.700 0.024 0.000 1.052 39 T CA -0.637 61.479 62.100 0.027 0.000 1.009 39 T CB 1.525 70.421 68.868 0.046 0.000 1.241 39 T HN 0.359 nan 8.240 nan 0.000 0.542 40 N N -0.137 118.582 118.700 0.032 0.000 2.381 40 N HA -0.043 4.698 4.740 0.000 0.000 0.182 40 N C 1.313 176.848 175.510 0.040 0.000 1.025 40 N CA 0.666 53.734 53.050 0.030 0.000 0.888 40 N CB -0.017 38.487 38.487 0.029 0.000 0.965 40 N HN 0.582 nan 8.380 nan 0.000 0.438 41 E N -0.455 119.793 120.200 0.081 0.000 2.158 41 E HA 0.175 4.525 4.350 0.000 0.000 0.191 41 E C 0.946 177.654 176.600 0.181 0.000 0.982 41 E CA 0.478 56.969 56.400 0.151 0.000 0.823 41 E CB 0.206 30.016 29.700 0.184 0.000 0.766 41 E HN 0.356 nan 8.360 nan 0.000 0.468 42 G N -1.076 107.789 108.800 0.109 0.000 2.367 42 G HA2 0.246 4.206 3.960 0.000 0.000 0.272 42 G HA3 0.246 4.206 3.960 0.000 0.000 0.272 42 G C -1.431 173.369 174.900 -0.166 0.000 1.271 42 G CA -0.876 44.128 45.100 -0.160 0.000 0.893 42 G HN -0.016 nan 8.290 nan 0.000 0.485 43 I N 0.844 121.185 120.570 -0.381 0.000 2.460 43 I HA 0.531 4.702 4.170 0.000 0.000 0.298 43 I C -0.240 175.821 176.117 -0.093 0.000 0.989 43 I CA -0.636 60.485 61.300 -0.297 0.000 1.173 43 I CB 2.319 40.004 38.000 -0.524 0.000 1.338 43 I HN 0.342 nan 8.210 nan 0.000 0.456 44 T N 6.779 121.358 114.554 0.042 0.000 2.786 44 T HA 0.527 4.878 4.350 0.000 0.000 0.283 44 T C -0.306 174.412 174.700 0.029 0.000 0.992 44 T CA -0.484 61.690 62.100 0.124 0.000 0.954 44 T CB 0.923 69.884 68.868 0.155 0.000 0.934 44 T HN 0.266 nan 8.240 nan 0.000 0.440 45 L N 4.458 125.699 121.223 0.030 0.000 2.265 45 L HA 0.547 4.887 4.340 0.000 0.000 0.289 45 L C -0.616 176.251 176.870 -0.005 0.000 1.033 45 L CA -0.784 54.059 54.840 0.006 0.000 0.814 45 L CB 0.674 42.735 42.059 0.005 0.000 1.203 45 L HN 0.511 nan 8.230 nan 0.000 0.423 46 I N 2.496 123.031 120.570 -0.059 0.000 2.412 46 I HA 0.699 4.869 4.170 0.000 0.000 0.296 46 I C 0.589 176.667 176.117 -0.066 0.000 0.987 46 I CA 0.000 61.257 61.300 -0.072 0.000 1.180 46 I CB 1.910 39.821 38.000 -0.148 0.000 1.340 46 I HN 0.556 nan 8.210 nan 0.000 0.455 47 G N 2.944 111.769 108.800 0.042 0.000 2.659 47 G HA2 0.785 4.746 3.960 0.000 0.000 0.296 47 G HA3 0.785 4.746 3.960 0.000 0.000 0.296 47 G C -1.412 173.579 174.900 0.152 0.000 1.369 47 G CA -0.541 44.633 45.100 0.123 0.000 0.937 47 G HN 0.689 nan 8.290 nan 0.000 0.485 48 S N -0.649 115.160 115.700 0.183 0.000 2.565 48 S HA 0.569 5.039 4.470 0.000 0.000 0.269 48 S C -0.358 174.271 174.600 0.048 0.000 1.153 48 S CA -0.697 57.554 58.200 0.086 0.000 0.835 48 S CB 2.065 65.308 63.200 0.072 0.000 1.122 48 S HN 1.031 nan 8.310 nan 0.000 0.462 49 N N -0.475 118.231 118.700 0.010 0.000 2.143 49 N HA 0.357 5.097 4.740 0.000 0.000 0.229 49 N C 1.105 176.607 175.510 -0.014 0.000 1.294 49 N CA 0.365 53.417 53.050 0.004 0.000 0.883 49 N CB 0.556 39.056 38.487 0.020 0.000 1.148 49 N HN 1.692 nan 8.380 nan 0.000 0.511 50 G N -0.019 108.763 108.800 -0.030 0.000 2.258 50 G HA2 -0.307 3.654 3.960 0.000 0.000 0.233 50 G HA3 -0.307 3.654 3.960 0.000 0.000 0.233 50 G C 0.839 175.727 174.900 -0.020 0.000 1.006 50 G CA 0.494 45.574 45.100 -0.034 0.000 0.620 50 G HN 0.342 nan 8.290 nan 0.000 0.511 51 Q N -0.320 119.475 119.800 -0.009 0.000 2.511 51 Q HA 0.393 4.733 4.340 0.000 0.000 0.236 51 Q C 1.519 177.512 176.000 -0.012 0.000 0.893 51 Q CA 1.151 56.957 55.803 0.005 0.000 0.947 51 Q CB 0.850 29.605 28.738 0.027 0.000 1.110 51 Q HN 0.879 nan 8.270 nan 0.000 0.591 52 I N -1.448 119.097 120.570 -0.042 0.000 2.892 52 I HA 0.661 4.831 4.170 0.000 0.000 0.306 52 I C -0.792 175.252 176.117 -0.121 0.000 1.078 52 I CA -0.887 60.331 61.300 -0.137 0.000 1.032 52 I CB 2.396 40.250 38.000 -0.244 0.000 1.229 52 I HN -0.064 nan 8.210 nan 0.000 0.435 53 S N 3.937 119.543 115.700 -0.155 0.000 2.556 53 S HA 0.780 5.250 4.470 0.000 0.000 0.271 53 S C -1.043 173.548 174.600 -0.015 0.000 1.135 53 S CA -0.745 57.427 58.200 -0.046 0.000 0.858 53 S CB 2.065 65.260 63.200 -0.008 0.000 1.114 53 S HN 0.687 nan 8.310 nan 0.000 0.468 54 I N 0.979 121.581 120.570 0.054 0.000 2.533 54 I HA 0.433 4.603 4.170 0.000 0.000 0.290 54 I C -0.721 175.463 176.117 0.112 0.000 1.056 54 I CA -0.387 60.973 61.300 0.100 0.000 1.057 54 I CB 2.248 40.297 38.000 0.081 0.000 1.240 54 I HN 0.709 nan 8.210 nan 0.000 0.423 55 E N 4.723 125.009 120.200 0.144 0.000 2.145 55 E HA 0.273 4.623 4.350 0.000 0.000 0.262 55 E C -1.138 175.525 176.600 0.104 0.000 0.883 55 E CA -0.658 55.814 56.400 0.120 0.000 0.748 55 E CB 1.807 31.603 29.700 0.160 0.000 1.140 55 E HN 0.301 nan 8.360 nan 0.000 0.417 56 N N 3.386 122.134 118.700 0.079 0.000 2.446 56 N HA 0.205 4.945 4.740 0.000 0.000 0.265 56 N C -1.697 173.888 175.510 0.126 0.000 0.975 56 N CA -0.483 52.609 53.050 0.070 0.000 0.928 56 N CB 0.520 39.009 38.487 0.003 0.000 1.160 56 N HN 0.293 nan 8.380 nan 0.000 0.495 57 F N 4.676 124.613 119.950 -0.022 0.000 2.408 57 F HA 0.573 5.100 4.527 0.000 0.000 0.344 57 F C -0.426 175.351 175.800 -0.039 0.000 1.112 57 F CA -1.033 56.948 58.000 -0.032 0.000 1.096 57 F CB 0.565 39.554 39.000 -0.019 0.000 1.129 57 F HN 0.349 nan 8.300 nan 0.000 0.486 58 I N 5.072 125.219 120.570 -0.705 0.000 2.362 58 I HA 0.227 4.397 4.170 0.000 0.000 0.289 58 I C -0.057 175.391 176.117 -1.115 0.000 0.994 58 I CA -0.668 60.228 61.300 -0.673 0.000 1.158 58 I CB 1.572 39.345 38.000 -0.378 0.000 1.315 58 I HN 0.506 nan 8.210 nan 0.000 0.451 59 S N 4.142 119.336 115.700 -0.843 0.000 2.562 59 S HA 0.139 4.609 4.470 0.000 0.000 0.275 59 S C 1.003 175.424 174.600 -0.298 0.000 1.281 59 S CA -0.330 57.530 58.200 -0.568 0.000 1.045 59 S CB 1.285 64.387 63.200 -0.164 0.000 0.962 59 S HN 0.694 nan 8.310 nan 0.000 0.503 60 Q N 2.522 122.205 119.800 -0.195 0.000 2.197 60 Q HA -0.126 4.215 4.340 0.000 0.000 0.207 60 Q C 1.123 177.077 176.000 -0.076 0.000 0.984 60 Q CA 1.416 57.147 55.803 -0.120 0.000 0.869 60 Q CB -0.040 28.659 28.738 -0.064 0.000 0.906 60 Q HN 0.667 nan 8.270 nan 0.000 0.426 61 K N 0.500 120.869 120.400 -0.051 0.000 2.487 61 K HA 0.010 4.330 4.320 0.000 0.000 0.192 61 K C 0.431 177.013 176.600 -0.031 0.000 1.027 61 K CA -0.156 56.116 56.287 -0.025 0.000 1.054 61 K CB -0.027 32.475 32.500 0.003 0.000 0.824 61 K HN -0.003 nan 8.250 nan 0.000 0.510 62 N N 2.173 120.839 118.700 -0.058 0.000 2.405 62 N HA -0.054 4.686 4.740 0.000 0.000 0.260 62 N C 0.545 176.027 175.510 -0.047 0.000 1.152 62 N CA 0.306 53.325 53.050 -0.053 0.000 0.948 62 N CB 0.923 39.362 38.487 -0.080 0.000 1.111 62 N HN -0.082 nan 8.380 nan 0.000 0.485 63 E N 2.092 122.274 120.200 -0.029 0.000 2.153 63 E HA -0.145 4.206 4.350 0.000 0.000 0.194 63 E C 0.658 177.244 176.600 -0.024 0.000 0.988 63 E CA 1.492 57.878 56.400 -0.023 0.000 0.811 63 E CB -0.192 29.500 29.700 -0.014 0.000 0.746 63 E HN 0.685 nan 8.360 nan 0.000 0.466 64 D N 0.234 120.619 120.400 -0.026 0.000 2.183 64 D HA -0.007 4.634 4.640 0.000 0.000 0.203 64 D C 1.981 178.265 176.300 -0.027 0.000 0.969 64 D CA 1.196 55.183 54.000 -0.023 0.000 0.842 64 D CB -0.489 40.298 40.800 -0.022 0.000 0.957 64 D HN 0.377 nan 8.370 nan 0.000 0.484 65 A N 0.713 123.507 122.820 -0.043 0.000 2.019 65 A HA 0.140 4.460 4.320 0.000 0.000 0.219 65 A C 1.897 179.453 177.584 -0.047 0.000 1.164 65 A CA 1.430 53.434 52.037 -0.054 0.000 0.644 65 A CB -0.822 18.119 19.000 -0.099 0.000 0.805 65 A HN 0.280 nan 8.150 nan 0.000 0.449 66 G N -1.289 107.488 108.800 -0.038 0.000 2.395 66 G HA2 -0.148 3.812 3.960 0.000 0.000 0.300 66 G HA3 -0.148 3.812 3.960 0.000 0.000 0.300 66 G C -0.072 174.808 174.900 -0.033 0.000 0.998 66 G CA 0.561 45.645 45.100 -0.027 0.000 1.046 66 G HN 1.137 nan 8.290 nan 0.000 0.513 67 L N 0.408 121.597 121.223 -0.056 0.000 2.262 67 L HA 0.799 5.139 4.340 0.000 0.000 0.288 67 L C -0.373 176.472 176.870 -0.042 0.000 1.035 67 L CA -1.142 53.654 54.840 -0.074 0.000 0.820 67 L CB 1.086 43.048 42.059 -0.162 0.000 1.204 67 L HN 0.072 nan 8.230 nan 0.000 0.424 68 L N 6.639 127.864 121.223 0.004 0.000 2.333 68 L HA 0.557 4.897 4.340 0.000 0.000 0.280 68 L C -0.431 176.486 176.870 0.079 0.000 1.004 68 L CA -0.011 54.849 54.840 0.033 0.000 0.820 68 L CB 1.669 43.758 42.059 0.049 0.000 1.247 68 L HN 0.492 nan 8.230 nan 0.000 0.416 69 I N 1.941 122.556 120.570 0.075 0.000 2.404 69 I HA 0.359 4.529 4.170 0.000 0.000 0.293 69 I C 0.766 176.969 176.117 0.144 0.000 0.992 69 I CA -0.135 61.237 61.300 0.120 0.000 1.149 69 I CB 2.052 40.077 38.000 0.043 0.000 1.315 69 I HN 0.791 nan 8.210 nan 0.000 0.446 70 T N -0.278 114.416 114.554 0.232 0.000 2.975 70 T HA 0.214 4.564 4.350 0.000 0.000 0.257 70 T C 0.323 175.103 174.700 0.133 0.000 1.003 70 T CA 0.013 62.219 62.100 0.176 0.000 0.932 70 T CB 0.215 69.187 68.868 0.173 0.000 1.087 70 T HN 0.579 nan 8.240 nan 0.000 0.512 71 S N 0.733 116.535 115.700 0.169 0.000 2.535 71 S HA 0.679 5.150 4.470 0.000 0.000 0.272 71 S C -0.975 173.704 174.600 0.132 0.000 1.149 71 S CA -1.121 57.154 58.200 0.124 0.000 0.888 71 S CB 1.217 64.485 63.200 0.112 0.000 1.110 71 S HN 0.309 nan 8.310 nan 0.000 0.463 72 L N 1.939 123.217 121.223 0.093 0.000 2.454 72 L HA 0.917 5.258 4.340 0.000 0.000 0.256 72 L C 1.074 177.996 176.870 0.086 0.000 1.136 72 L CA -0.177 54.711 54.840 0.080 0.000 0.804 72 L CB 0.865 42.956 42.059 0.053 0.000 1.181 72 L HN 1.208 nan 8.230 nan 0.000 0.469 73 G N -0.213 108.633 108.800 0.076 0.000 2.333 73 G HA2 0.337 4.297 3.960 0.000 0.000 0.288 73 G HA3 0.337 4.297 3.960 0.000 0.000 0.288 73 G C -1.789 173.149 174.900 0.065 0.000 1.286 73 G CA -0.273 44.872 45.100 0.075 0.000 0.865 73 G HN 0.587 nan 8.290 nan 0.000 0.506 74 S N -0.979 114.762 115.700 0.069 0.000 2.543 74 S HA 0.752 5.222 4.470 0.000 0.000 0.273 74 S C -1.337 173.301 174.600 0.063 0.000 1.152 74 S CA -0.362 57.868 58.200 0.049 0.000 0.910 74 S CB 1.106 64.321 63.200 0.026 0.000 1.105 74 S HN 1.220 nan 8.310 nan 0.000 0.465 75 I N 3.720 124.327 120.570 0.061 0.000 3.006 75 I HA 0.553 4.724 4.170 0.000 0.000 0.306 75 I C -1.767 174.363 176.117 0.021 0.000 1.250 75 I CA -1.186 60.149 61.300 0.059 0.000 0.996 75 I CB 1.727 39.791 38.000 0.107 0.000 1.261 75 I HN 0.624 nan 8.210 nan 0.000 0.442 76 L N 6.128 127.361 121.223 0.017 0.000 2.307 76 L HA 0.600 4.941 4.340 0.000 0.000 0.284 76 L C -1.143 175.722 176.870 -0.008 0.000 1.023 76 L CA -0.659 54.188 54.840 0.010 0.000 0.810 76 L CB 1.564 43.659 42.059 0.060 0.000 1.231 76 L HN 0.402 nan 8.230 nan 0.000 0.423 77 L N 2.128 123.333 121.223 -0.030 0.000 2.388 77 L HA 0.410 4.750 4.340 0.000 0.000 0.264 77 L C -0.184 176.722 176.870 0.059 0.000 0.998 77 L CA -0.917 53.890 54.840 -0.055 0.000 0.817 77 L CB 2.352 44.220 42.059 -0.318 0.000 1.338 77 L HN 0.474 nan 8.230 nan 0.000 0.414 78 E N 1.482 121.747 120.200 0.108 0.000 2.406 78 E HA 0.039 4.389 4.350 0.000 0.000 0.258 78 E C 0.558 177.302 176.600 0.239 0.000 1.043 78 E CA 0.155 56.650 56.400 0.157 0.000 0.929 78 E CB 1.514 31.299 29.700 0.142 0.000 0.969 78 E HN 0.721 nan 8.360 nan 0.000 0.462 79 A N 3.797 126.739 122.820 0.203 0.000 1.858 79 A HA -0.186 4.134 4.320 0.000 0.000 0.216 79 A C 2.343 180.040 177.584 0.189 0.000 1.190 79 A CA 1.602 53.769 52.037 0.215 0.000 0.617 79 A CB -0.291 18.795 19.000 0.143 0.000 0.827 79 A HN 0.556 nan 8.150 nan 0.000 0.443 80 S N -1.215 114.580 115.700 0.157 0.000 2.377 80 S HA -0.212 4.258 4.470 0.000 0.000 0.224 80 S C 1.704 176.407 174.600 0.173 0.000 1.042 80 S CA 1.893 60.174 58.200 0.134 0.000 1.086 80 S CB -0.584 62.696 63.200 0.132 0.000 0.995 80 S HN 0.579 nan 8.310 nan 0.000 0.428 81 F N 1.394 121.396 119.950 0.087 0.000 2.091 81 F HA -0.152 4.376 4.527 0.000 0.000 0.299 81 F C 1.973 177.859 175.800 0.143 0.000 1.103 81 F CA 1.553 59.610 58.000 0.094 0.000 1.228 81 F CB -0.724 38.331 39.000 0.093 0.000 0.984 81 F HN 0.284 nan 8.300 nan 0.000 0.477 82 F N 0.848 120.813 119.950 0.026 0.000 2.102 82 F HA -0.195 4.332 4.527 0.001 0.000 0.298 82 F C 2.153 177.893 175.800 -0.099 0.000 1.105 82 F CA 1.694 59.667 58.000 -0.045 0.000 1.239 82 F CB -1.013 38.033 39.000 0.077 0.000 0.991 82 F HN 0.016 nan 8.300 nan 0.000 0.474 83 I N 0.472 120.905 120.570 -0.229 0.000 2.264 83 I HA -0.363 3.807 4.170 0.000 0.000 0.248 83 I C 1.916 177.866 176.117 -0.279 0.000 1.111 83 I CA 1.423 62.503 61.300 -0.365 0.000 1.382 83 I CB -0.629 37.251 38.000 -0.201 0.000 1.060 83 I HN 0.168 nan 8.210 nan 0.000 0.418 84 N N 0.293 118.869 118.700 -0.207 0.000 2.244 84 N HA -0.108 4.632 4.740 0.000 0.000 0.183 84 N C 1.856 177.218 175.510 -0.247 0.000 1.016 84 N CA 0.934 53.867 53.050 -0.196 0.000 0.866 84 N CB -0.453 37.942 38.487 -0.153 0.000 0.980 84 N HN 0.155 nan 8.380 nan 0.000 0.430 85 V N 0.390 120.101 119.914 -0.338 0.000 2.270 85 V HA -0.159 3.961 4.120 0.000 0.000 0.245 85 V C 2.349 178.329 176.094 -0.190 0.000 1.043 85 V CA 1.153 63.282 62.300 -0.284 0.000 1.014 85 V CB -0.507 31.143 31.823 -0.288 0.000 0.645 85 V HN 0.057 nan 8.190 nan 0.000 0.447 86 V N 0.105 119.871 119.914 -0.247 0.000 2.287 86 V HA -0.289 3.832 4.120 0.000 0.000 0.248 86 V C 2.745 178.756 176.094 -0.139 0.000 1.053 86 V CA 2.474 64.659 62.300 -0.192 0.000 1.027 86 V CB -0.881 30.733 31.823 -0.348 0.000 0.646 86 V HN 0.686 nan 8.190 nan 0.000 0.447 87 S N 0.665 116.262 115.700 -0.171 0.000 2.420 87 S HA -0.228 4.242 4.470 0.000 0.000 0.237 87 S C 2.042 176.591 174.600 -0.085 0.000 1.023 87 S CA 2.276 60.404 58.200 -0.120 0.000 0.991 87 S CB -0.411 62.715 63.200 -0.123 0.000 0.792 87 S HN 0.822 nan 8.310 nan 0.000 0.488 88 S N 0.127 115.773 115.700 -0.090 0.000 2.524 88 S HA 0.326 4.796 4.470 0.000 0.000 0.216 88 S C 0.592 175.164 174.600 -0.048 0.000 0.987 88 S CA -0.508 57.653 58.200 -0.066 0.000 0.909 88 S CB -0.564 62.592 63.200 -0.075 0.000 0.781 88 S HN 0.489 nan 8.310 nan 0.000 0.521 89 L N 2.186 123.382 121.223 -0.045 0.000 2.461 89 L HA 0.237 4.577 4.340 0.000 0.000 0.272 89 L C -1.227 175.633 176.870 -0.018 0.000 1.197 89 L CA -1.462 53.362 54.840 -0.026 0.000 0.836 89 L CB 0.312 42.363 42.059 -0.013 0.000 1.105 89 L HN 0.107 nan 8.230 nan 0.000 0.477 90 P HA 0.055 nan 4.420 nan 0.000 0.220 90 P C -0.129 177.167 177.300 -0.006 0.000 1.154 90 P CA 0.477 63.571 63.100 -0.010 0.000 0.830 90 P CB 0.296 31.991 31.700 -0.009 0.000 0.803 91 D N -1.163 119.235 120.400 -0.003 0.000 2.312 91 D HA 0.095 4.735 4.640 0.000 0.000 0.248 91 D C 1.497 177.798 176.300 0.003 0.000 1.086 91 D CA -0.450 53.550 54.000 -0.000 0.000 0.948 91 D CB 1.225 42.025 40.800 0.000 0.000 1.162 91 D HN -0.333 nan 8.370 nan 0.000 0.446 92 V N 0.076 119.992 119.914 0.003 0.000 2.490 92 V HA -0.091 4.029 4.120 0.000 0.000 0.250 92 V C 1.229 177.329 176.094 0.010 0.000 1.061 92 V CA 1.953 64.256 62.300 0.005 0.000 1.064 92 V CB -0.688 31.137 31.823 0.002 0.000 0.670 92 V HN 0.768 nan 8.190 nan 0.000 0.461 93 T N -1.861 112.698 114.554 0.008 0.000 2.942 93 T HA 0.688 5.038 4.350 0.000 0.000 0.289 93 T C -1.162 173.541 174.700 0.004 0.000 1.044 93 T CA -0.745 61.359 62.100 0.007 0.000 1.023 93 T CB 2.358 71.227 68.868 0.001 0.000 1.123 93 T HN 0.035 nan 8.240 nan 0.000 0.512 94 L N 1.193 122.411 121.223 -0.007 0.000 2.470 94 L HA 0.654 4.994 4.340 0.000 0.000 0.268 94 L C -1.498 175.326 176.870 -0.077 0.000 0.964 94 L CA -0.395 54.437 54.840 -0.014 0.000 0.839 94 L CB 1.897 43.973 42.059 0.030 0.000 1.276 94 L HN 0.904 nan 8.230 nan 0.000 0.403 95 D N 3.328 123.680 120.400 -0.081 0.000 2.249 95 D HA 0.398 5.038 4.640 0.000 0.000 0.246 95 D C -1.546 174.631 176.300 -0.204 0.000 1.114 95 D CA 0.182 54.090 54.000 -0.153 0.000 0.854 95 D CB 0.802 41.575 40.800 -0.045 0.000 1.132 95 D HN 0.414 nan 8.370 nan 0.000 0.461 96 F N 3.908 123.467 119.950 -0.652 0.000 2.445 96 F HA 0.399 4.926 4.527 0.000 0.000 0.348 96 F C -0.971 174.497 175.800 -0.554 0.000 1.125 96 F CA -0.897 56.692 58.000 -0.684 0.000 0.983 96 F CB 0.892 39.093 39.000 -1.332 0.000 1.198 96 F HN 0.130 nan 8.300 nan 0.000 0.436 97 K N 5.963 126.194 120.400 -0.281 0.000 2.604 97 K HA 0.232 4.552 4.320 0.000 0.000 0.247 97 K C -0.746 175.790 176.600 -0.107 0.000 0.956 97 K CA -0.503 55.767 56.287 -0.028 0.000 0.896 97 K CB 1.102 33.648 32.500 0.076 0.000 1.131 97 K HN 0.767 nan 8.250 nan 0.000 0.440 98 E N 4.861 125.062 120.200 0.001 0.000 2.392 98 E HA 0.153 4.503 4.350 0.000 0.000 0.264 98 E C -0.127 176.468 176.600 -0.007 0.000 1.024 98 E CA -0.204 56.190 56.400 -0.010 0.000 0.903 98 E CB 0.569 30.312 29.700 0.072 0.000 0.963 98 E HN 0.600 nan 8.360 nan 0.000 0.432 99 I N -0.433 120.120 120.570 -0.027 0.000 3.516 99 I HA 0.409 4.579 4.170 0.000 0.000 0.302 99 I C -0.296 175.813 176.117 -0.013 0.000 1.143 99 I CA -1.265 60.024 61.300 -0.018 0.000 1.003 99 I CB 1.153 39.135 38.000 -0.029 0.000 1.347 99 I HN 0.516 nan 8.210 nan 0.000 0.486 100 E N 0.663 120.857 120.200 -0.011 0.000 2.436 100 E HA 0.050 4.400 4.350 0.000 0.000 0.262 100 E C -0.767 175.828 176.600 -0.009 0.000 1.063 100 E CA -0.170 56.226 56.400 -0.006 0.000 0.944 100 E CB 0.357 30.054 29.700 -0.006 0.000 0.950 100 E HN 0.668 nan 8.360 nan 0.000 0.444 101 Q N 1.504 121.302 119.800 -0.004 0.000 2.478 101 Q HA -0.249 4.092 4.340 0.000 0.000 0.286 101 Q C -0.827 175.169 176.000 -0.007 0.000 1.299 101 Q CA 0.687 56.488 55.803 -0.004 0.000 0.826 101 Q CB -1.870 26.864 28.738 -0.006 0.000 1.199 101 Q HN 0.825 nan 8.270 nan 0.000 0.451 102 N N -0.653 118.045 118.700 -0.003 0.000 2.740 102 N HA -0.209 4.531 4.740 0.000 0.000 0.248 102 N C -0.773 174.722 175.510 -0.025 0.000 1.062 102 N CA 1.476 54.523 53.050 -0.005 0.000 0.704 102 N CB -0.626 37.862 38.487 0.002 0.000 0.968 102 N HN 0.612 nan 8.380 nan 0.000 0.547 103 Q N 0.369 120.145 119.800 -0.040 0.000 2.309 103 Q HA 0.693 5.033 4.340 0.000 0.000 0.264 103 Q C 0.301 176.227 176.000 -0.124 0.000 1.008 103 Q CA -0.756 55.007 55.803 -0.068 0.000 0.853 103 Q CB 2.531 31.238 28.738 -0.052 0.000 1.314 103 Q HN 0.333 nan 8.270 nan 0.000 0.448 104 I N -0.481 119.966 120.570 -0.205 0.000 2.389 104 I HA 0.517 4.688 4.170 0.000 0.000 0.288 104 I C -0.710 175.216 176.117 -0.318 0.000 0.999 104 I CA -0.723 60.348 61.300 -0.382 0.000 1.129 104 I CB 1.040 38.541 38.000 -0.832 0.000 1.288 104 I HN 0.477 nan 8.210 nan 0.000 0.444 105 V N 7.704 127.461 119.914 -0.261 0.000 2.455 105 V HA 0.392 4.512 4.120 0.000 0.000 0.273 105 V C 0.396 176.348 176.094 -0.236 0.000 1.045 105 V CA -0.231 61.960 62.300 -0.181 0.000 0.976 105 V CB 0.633 32.391 31.823 -0.108 0.000 0.993 105 V HN 0.785 nan 8.190 nan 0.000 0.475 106 L N 4.995 126.125 121.223 -0.155 0.000 2.307 106 L HA 0.642 4.983 4.340 0.000 0.000 0.284 106 L C 0.031 176.870 176.870 -0.052 0.000 1.023 106 L CA -0.153 54.626 54.840 -0.102 0.000 0.810 106 L CB 1.904 43.955 42.059 -0.014 0.000 1.231 106 L HN 0.597 nan 8.230 nan 0.000 0.423 107 T N 0.860 115.389 114.554 -0.042 0.000 2.890 107 T HA 0.347 4.697 4.350 0.000 0.000 0.295 107 T C -0.560 174.132 174.700 -0.013 0.000 0.993 107 T CA -0.538 61.548 62.100 -0.023 0.000 0.979 107 T CB 1.533 70.390 68.868 -0.019 0.000 0.967 107 T HN 0.437 nan 8.240 nan 0.000 0.441 108 S N 2.616 118.312 115.700 -0.007 0.000 2.756 108 S HA 0.654 5.125 4.470 0.000 0.000 0.303 108 S C 0.860 175.457 174.600 -0.003 0.000 1.135 108 S CA 0.500 58.698 58.200 -0.003 0.000 1.066 108 S CB 0.102 63.302 63.200 0.001 0.000 1.008 108 S HN 1.296 nan 8.310 nan 0.000 0.482 109 G N 5.161 113.959 108.800 -0.002 0.000 2.583 109 G HA2 -0.308 3.652 3.960 0.000 0.000 0.292 109 G HA3 -0.308 3.652 3.960 0.000 0.000 0.292 109 G C 0.486 175.384 174.900 -0.003 0.000 1.203 109 G CA 0.713 45.812 45.100 -0.002 0.000 0.987 109 G HN 0.704 nan 8.290 nan 0.000 0.554 110 K N 0.555 120.953 120.400 -0.003 0.000 2.487 110 K HA 0.339 4.659 4.320 0.000 0.000 0.192 110 K C 1.291 177.888 176.600 -0.004 0.000 1.027 110 K CA 0.707 56.992 56.287 -0.004 0.000 1.054 110 K CB 0.252 32.750 32.500 -0.003 0.000 0.824 110 K HN 0.379 nan 8.250 nan 0.000 0.510 111 S N 1.551 117.248 115.700 -0.005 0.000 2.525 111 S HA 0.116 4.587 4.470 0.000 0.000 0.278 111 S C -0.884 173.711 174.600 -0.008 0.000 1.234 111 S CA -0.622 57.574 58.200 -0.006 0.000 1.058 111 S CB 0.923 64.119 63.200 -0.007 0.000 0.983 111 S HN 0.215 nan 8.310 nan 0.000 0.495 112 E N 4.614 124.809 120.200 -0.008 0.000 2.281 112 E HA 0.428 4.779 4.350 0.000 0.000 0.266 112 E C -1.595 174.999 176.600 -0.009 0.000 0.893 112 E CA -0.461 55.931 56.400 -0.013 0.000 0.798 112 E CB 0.980 30.671 29.700 -0.014 0.000 1.245 112 E HN 0.695 nan 8.360 nan 0.000 0.410 113 I N 3.244 123.807 120.570 -0.012 0.000 2.447 113 I HA 0.257 4.428 4.170 0.000 0.000 0.287 113 I C -0.447 175.664 176.117 -0.009 0.000 1.023 113 I CA -0.582 60.718 61.300 0.001 0.000 1.083 113 I CB 2.326 40.329 38.000 0.006 0.000 1.245 113 I HN 0.371 nan 8.210 nan 0.000 0.434 114 T N 7.177 121.732 114.554 0.000 0.000 2.771 114 T HA 0.609 4.960 4.350 0.000 0.000 0.281 114 T C -0.227 174.483 174.700 0.016 0.000 0.982 114 T CA -0.399 61.689 62.100 -0.021 0.000 0.978 114 T CB 0.834 69.688 68.868 -0.024 0.000 0.930 114 T HN 0.256 nan 8.240 nan 0.000 0.447 115 L N 1.999 123.218 121.223 -0.008 0.000 2.334 115 L HA 0.580 4.920 4.340 0.000 0.000 0.273 115 L C 0.298 177.162 176.870 -0.011 0.000 1.013 115 L CA -1.208 53.659 54.840 0.044 0.000 0.816 115 L CB 1.735 43.834 42.059 0.067 0.000 1.278 115 L HN 0.342 nan 8.230 nan 0.000 0.431 116 K N 0.912 121.319 120.400 0.012 0.000 2.258 116 K HA 0.676 4.996 4.320 0.000 0.000 0.284 116 K C 0.003 176.593 176.600 -0.016 0.000 1.051 116 K CA 0.019 56.298 56.287 -0.012 0.000 0.923 116 K CB 0.936 33.429 32.500 -0.012 0.000 1.046 116 K HN 0.852 nan 8.250 nan 0.000 0.474 117 G N 2.447 111.231 108.800 -0.028 0.000 3.209 117 G HA2 0.654 4.614 3.960 0.000 0.000 0.236 117 G HA3 0.654 4.614 3.960 0.000 0.000 0.236 117 G C -1.145 173.753 174.900 -0.003 0.000 1.329 117 G CA -0.683 44.403 45.100 -0.022 0.000 1.015 117 G HN 0.585 nan 8.290 nan 0.000 0.571 118 K N 0.060 120.466 120.400 0.010 0.000 2.502 118 K HA 0.266 4.586 4.320 0.000 0.000 0.257 118 K C -1.377 175.242 176.600 0.032 0.000 0.938 118 K CA -0.811 55.489 56.287 0.023 0.000 0.819 118 K CB 2.627 35.148 32.500 0.035 0.000 1.333 118 K HN 0.557 nan 8.250 nan 0.000 0.434 119 D N 1.095 121.515 120.400 0.032 0.000 2.455 119 D HA -0.054 4.587 4.640 0.000 0.000 0.241 119 D C 0.590 176.921 176.300 0.052 0.000 1.138 119 D CA 0.444 54.466 54.000 0.037 0.000 0.877 119 D CB 1.153 41.971 40.800 0.030 0.000 1.187 119 D HN 0.614 nan 8.370 nan 0.000 0.451 120 S N 1.864 117.596 115.700 0.052 0.000 2.496 120 S HA -0.068 4.403 4.470 0.000 0.000 0.224 120 S C 1.861 176.515 174.600 0.089 0.000 0.996 120 S CA 0.876 59.117 58.200 0.069 0.000 0.927 120 S CB -0.133 63.084 63.200 0.029 0.000 0.774 120 S HN 0.617 nan 8.310 nan 0.000 0.524 121 E N 2.535 122.772 120.200 0.062 0.000 2.219 121 E HA -0.263 4.087 4.350 0.000 0.000 0.198 121 E C 2.048 178.686 176.600 0.064 0.000 0.998 121 E CA 1.605 58.038 56.400 0.055 0.000 0.818 121 E CB -1.282 28.439 29.700 0.036 0.000 0.741 121 E HN 1.039 nan 8.360 nan 0.000 0.477 122 Q N -1.920 117.922 119.800 0.071 0.000 2.378 122 Q HA -0.011 4.330 4.340 0.000 0.000 0.205 122 Q C 0.638 176.677 176.000 0.065 0.000 0.954 122 Q CA 0.249 56.084 55.803 0.054 0.000 0.901 122 Q CB -0.500 28.263 28.738 0.041 0.000 0.981 122 Q HN 0.618 nan 8.270 nan 0.000 0.483 123 Y N 4.133 124.431 120.300 -0.002 0.000 2.425 123 Y HA 0.178 4.728 4.550 0.000 0.000 0.331 123 Y C -2.004 173.888 175.900 -0.014 0.000 1.157 123 Y CA -2.428 55.669 58.100 -0.005 0.000 1.372 123 Y CB 0.723 39.183 38.460 0.000 0.000 1.253 123 Y HN 0.101 nan 8.280 nan 0.000 0.536 124 P HA 0.176 nan 4.420 nan 0.000 0.276 124 P C -0.787 176.521 177.300 0.014 0.000 1.235 124 P CA -0.173 62.842 63.100 -0.141 0.000 0.772 124 P CB 0.487 32.033 31.700 -0.256 0.000 0.871 125 R N 3.751 124.262 120.500 0.018 0.000 2.522 125 R HA 0.180 4.520 4.340 0.000 0.000 0.284 125 R C 0.541 176.818 176.300 -0.038 0.000 1.032 125 R CA -0.184 55.927 56.100 0.017 0.000 1.049 125 R CB -0.974 29.323 30.300 -0.006 0.000 0.956 125 R HN 0.569 nan 8.270 nan 0.000 0.422 126 I N 2.224 122.757 120.570 -0.061 0.000 2.556 126 I HA 0.017 4.187 4.170 0.000 0.000 0.284 126 I C 1.225 177.211 176.117 -0.219 0.000 1.114 126 I CA 0.200 61.389 61.300 -0.185 0.000 1.418 126 I CB 1.431 39.255 38.000 -0.293 0.000 1.394 126 I HN 0.701 nan 8.210 nan 0.000 0.552 127 Q N 5.508 125.172 119.800 -0.227 0.000 2.281 127 Q HA 0.137 4.477 4.340 0.000 0.000 0.267 127 Q C 0.036 175.915 176.000 -0.201 0.000 1.053 127 Q CA -0.264 55.439 55.803 -0.167 0.000 0.905 127 Q CB 0.693 29.361 28.738 -0.116 0.000 1.195 127 Q HN 0.737 nan 8.270 nan 0.000 0.398 128 E N 2.550 122.681 120.200 -0.115 0.000 2.360 128 E HA 0.426 4.776 4.350 0.000 0.000 0.269 128 E C 0.012 176.618 176.600 0.011 0.000 1.022 128 E CA 0.403 56.778 56.400 -0.043 0.000 0.887 128 E CB 0.329 30.010 29.700 -0.031 0.000 0.990 128 E HN 0.747 nan 8.360 nan 0.000 0.426 129 I N 0.649 121.274 120.570 0.091 0.000 2.634 129 I HA 0.640 4.810 4.170 0.000 0.000 0.284 129 I C 1.139 177.250 176.117 -0.011 0.000 1.124 129 I CA -0.017 61.313 61.300 0.051 0.000 1.417 129 I CB -0.141 37.895 38.000 0.060 0.000 1.396 129 I HN 1.144 nan 8.210 nan 0.000 0.571 130 S N 4.385 120.090 115.700 0.009 0.000 2.580 130 S HA 0.695 5.166 4.470 0.000 0.000 0.274 130 S C 1.012 175.617 174.600 0.008 0.000 1.329 130 S CA -0.068 58.135 58.200 0.004 0.000 1.036 130 S CB 0.058 63.270 63.200 0.021 0.000 0.919 130 S HN 2.597 nan 8.310 nan 0.000 0.515 131 A N 2.205 125.024 122.820 -0.002 0.000 2.567 131 A HA 0.427 4.747 4.320 0.000 0.000 0.263 131 A C 0.779 178.407 177.584 0.074 0.000 1.030 131 A CA 1.107 53.152 52.037 0.014 0.000 0.833 131 A CB -0.950 18.057 19.000 0.013 0.000 0.924 131 A HN 1.355 nan 8.150 nan 0.000 0.518 132 S N 1.463 117.251 115.700 0.146 0.000 2.661 132 S HA 0.734 5.205 4.470 0.000 0.000 0.285 132 S C -0.218 174.547 174.600 0.275 0.000 1.138 132 S CA -0.374 57.964 58.200 0.231 0.000 0.855 132 S CB 1.622 65.017 63.200 0.324 0.000 1.136 132 S HN 0.733 nan 8.310 nan 0.000 0.484 133 T N 4.462 119.116 114.554 0.166 0.000 2.744 133 T HA 0.551 4.902 4.350 0.000 0.000 0.291 133 T C -2.479 172.191 174.700 -0.050 0.000 0.957 133 T CA -0.825 61.321 62.100 0.077 0.000 1.002 133 T CB 1.115 70.008 68.868 0.041 0.000 0.919 133 T HN 0.499 nan 8.240 nan 0.000 0.468 134 P HA 0.384 nan 4.420 nan 0.000 0.276 134 P C -0.896 176.228 177.300 -0.293 0.000 1.244 134 P CA -0.885 61.827 63.100 -0.648 0.000 0.801 134 P CB 0.737 31.788 31.700 -1.081 0.000 1.006 135 L N 2.660 123.735 121.223 -0.247 0.000 2.282 135 L HA 0.410 4.751 4.340 0.000 0.000 0.288 135 L C -0.719 176.065 176.870 -0.143 0.000 1.033 135 L CA -0.442 54.351 54.840 -0.078 0.000 0.807 135 L CB 0.289 42.413 42.059 0.109 0.000 1.209 135 L HN 0.116 nan 8.230 nan 0.000 0.423 136 I N 6.690 127.211 120.570 -0.082 0.000 2.321 136 I HA 0.404 4.574 4.170 0.000 0.000 0.291 136 I C -0.305 175.796 176.117 -0.027 0.000 0.998 136 I CA -0.412 60.844 61.300 -0.072 0.000 1.227 136 I CB 0.888 38.856 38.000 -0.053 0.000 1.368 136 I HN 0.599 nan 8.210 nan 0.000 0.466 137 L N 4.627 125.837 121.223 -0.022 0.000 2.370 137 L HA 0.432 4.772 4.340 0.000 0.000 0.266 137 L C 0.324 177.200 176.870 0.011 0.000 1.002 137 L CA -0.856 53.988 54.840 0.007 0.000 0.818 137 L CB 2.470 44.542 42.059 0.021 0.000 1.325 137 L HN 0.499 nan 8.230 nan 0.000 0.418 138 E N 0.510 120.721 120.200 0.018 0.000 2.415 138 E HA -0.023 4.327 4.350 0.000 0.000 0.263 138 E C 0.509 177.133 176.600 0.040 0.000 0.995 138 E CA 0.090 56.504 56.400 0.023 0.000 0.915 138 E CB 1.003 30.715 29.700 0.020 0.000 0.951 138 E HN 0.555 nan 8.360 nan 0.000 0.449 139 T N 2.261 116.845 114.554 0.051 0.000 2.665 139 T HA -0.246 4.105 4.350 0.000 0.000 0.268 139 T C 1.985 176.744 174.700 0.099 0.000 1.035 139 T CA 1.853 64.011 62.100 0.097 0.000 1.151 139 T CB -0.088 68.816 68.868 0.060 0.000 0.862 139 T HN 0.447 nan 8.240 nan 0.000 0.438 140 K N 1.100 121.534 120.400 0.056 0.000 2.211 140 K HA 0.119 4.440 4.320 0.000 0.000 0.203 140 K C 2.191 178.812 176.600 0.034 0.000 1.050 140 K CA 0.677 56.990 56.287 0.044 0.000 0.945 140 K CB -1.192 31.323 32.500 0.025 0.000 0.732 140 K HN 0.350 nan 8.250 nan 0.000 0.451 141 L N 0.640 121.881 121.223 0.031 0.000 1.994 141 L HA 0.153 4.494 4.340 0.000 0.000 0.208 141 L C 2.559 179.442 176.870 0.022 0.000 1.071 141 L CA 1.682 56.533 54.840 0.019 0.000 0.745 141 L CB -0.437 41.635 42.059 0.021 0.000 0.892 141 L HN 0.280 nan 8.230 nan 0.000 0.431 142 L N -0.840 120.401 121.223 0.029 0.000 2.046 142 L HA -0.267 4.073 4.340 0.000 0.000 0.208 142 L C 2.615 179.495 176.870 0.017 0.000 1.077 142 L CA 1.533 56.367 54.840 -0.010 0.000 0.747 142 L CB -0.441 41.511 42.059 -0.179 0.000 0.896 142 L HN 0.284 nan 8.230 nan 0.000 0.432 143 K N -0.227 120.224 120.400 0.086 0.000 2.103 143 K HA -0.246 4.074 4.320 0.000 0.000 0.207 143 K C 2.168 178.791 176.600 0.038 0.000 1.048 143 K CA 1.380 57.724 56.287 0.096 0.000 0.930 143 K CB -0.040 32.520 32.500 0.100 0.000 0.716 143 K HN 0.175 nan 8.250 nan 0.000 0.444 144 K N 0.761 121.166 120.400 0.009 0.000 2.025 144 K HA -0.111 4.210 4.320 0.000 0.000 0.207 144 K C 2.061 178.619 176.600 -0.070 0.000 1.049 144 K CA 1.144 57.409 56.287 -0.036 0.000 0.933 144 K CB 0.000 32.471 32.500 -0.049 0.000 0.714 144 K HN -0.059 nan 8.250 nan 0.000 0.438 145 I N 1.498 122.035 120.570 -0.054 0.000 2.194 145 I HA -0.255 3.916 4.170 0.000 0.000 0.246 145 I C 2.364 178.462 176.117 -0.032 0.000 1.093 145 I CA 1.309 62.564 61.300 -0.075 0.000 1.355 145 I CB -0.748 37.237 38.000 -0.025 0.000 1.046 145 I HN 0.287 nan 8.210 nan 0.000 0.413 146 I N 0.286 120.874 120.570 0.030 0.000 2.252 146 I HA -0.222 3.949 4.170 0.000 0.000 0.245 146 I C 2.364 178.535 176.117 0.090 0.000 1.102 146 I CA 1.438 62.781 61.300 0.071 0.000 1.385 146 I CB -0.630 37.415 38.000 0.076 0.000 1.064 146 I HN 0.296 nan 8.210 nan 0.000 0.414 147 N N 0.694 119.431 118.700 0.062 0.000 2.309 147 N HA -0.150 4.590 4.740 0.000 0.000 0.182 147 N C 1.603 177.200 175.510 0.145 0.000 1.018 147 N CA 1.111 54.213 53.050 0.086 0.000 0.876 147 N CB -0.075 38.430 38.487 0.029 0.000 0.972 147 N HN 0.473 nan 8.380 nan 0.000 0.434 148 E N -1.031 119.194 120.200 0.042 0.000 2.385 148 E HA -0.005 4.345 4.350 0.000 0.000 0.194 148 E C 1.326 178.063 176.600 0.228 0.000 1.013 148 E CA 0.986 57.394 56.400 0.012 0.000 0.866 148 E CB 0.347 29.713 29.700 -0.557 0.000 0.832 148 E HN 0.475 nan 8.360 nan 0.000 0.500 149 T N -3.520 111.092 114.554 0.096 0.000 3.010 149 T HA 0.292 4.642 4.350 0.000 0.000 0.252 149 T C 2.001 176.591 174.700 -0.183 0.000 0.963 149 T CA 0.280 62.329 62.100 -0.086 0.000 0.952 149 T CB 0.103 68.907 68.868 -0.106 0.000 1.182 149 T HN 0.049 nan 8.240 nan 0.000 0.495 150 A N 1.958 124.791 122.820 0.022 0.000 1.972 150 A HA 0.136 4.456 4.320 0.000 0.000 0.219 150 A C 1.913 179.519 177.584 0.037 0.000 1.169 150 A CA 1.559 53.628 52.037 0.053 0.000 0.635 150 A CB -1.245 17.834 19.000 0.132 0.000 0.810 150 A HN 0.781 nan 8.150 nan 0.000 0.446 151 F N -0.776 119.215 119.950 0.068 0.000 2.451 151 F HA 0.259 4.786 4.527 0.001 0.000 0.299 151 F C 1.897 177.735 175.800 0.063 0.000 1.101 151 F CA 0.472 58.514 58.000 0.070 0.000 1.436 151 F CB -0.659 38.384 39.000 0.072 0.000 1.074 151 F HN 0.137 nan 8.300 nan 0.000 0.553 152 A N 0.813 123.153 122.820 -0.801 0.000 2.169 152 A HA 0.530 4.850 4.320 0.000 0.000 0.212 152 A C 1.632 179.104 177.584 -0.187 0.000 1.153 152 A CA 0.351 52.075 52.037 -0.523 0.000 0.756 152 A CB -1.108 17.529 19.000 -0.604 0.000 0.813 152 A HN 0.481 nan 8.150 nan 0.000 0.471 153 A N -0.156 122.608 122.820 -0.094 0.000 2.332 153 A HA 0.505 4.826 4.320 0.000 0.000 0.258 153 A C 0.753 178.359 177.584 0.037 0.000 1.087 153 A CA 0.262 52.305 52.037 0.011 0.000 0.802 153 A CB 0.020 19.057 19.000 0.061 0.000 1.042 153 A HN 0.431 nan 8.150 nan 0.000 0.489 154 S N -0.754 114.978 115.700 0.053 0.000 2.572 154 S HA 0.300 4.771 4.470 0.000 0.000 0.279 154 S C 1.212 175.857 174.600 0.075 0.000 1.341 154 S CA 0.337 58.576 58.200 0.065 0.000 1.043 154 S CB 0.230 63.465 63.200 0.059 0.000 0.887 154 S HN 1.219 nan 8.310 nan 0.000 0.516 155 T N 0.038 114.639 114.554 0.079 0.000 3.132 155 T HA 0.214 4.564 4.350 0.000 0.000 0.274 155 T C 0.070 174.810 174.700 0.066 0.000 1.011 155 T CA -0.154 61.993 62.100 0.077 0.000 0.899 155 T CB -0.092 68.826 68.868 0.084 0.000 1.089 155 T HN 0.626 nan 8.240 nan 0.000 0.543 156 Q N 0.777 120.615 119.800 0.063 0.000 2.360 156 Q HA 0.395 4.736 4.340 0.000 0.000 0.254 156 Q C 0.351 176.381 176.000 0.049 0.000 0.975 156 Q CA -0.679 55.156 55.803 0.054 0.000 0.912 156 Q CB 1.086 29.856 28.738 0.053 0.000 1.212 156 Q HN 0.429 nan 8.270 nan 0.000 0.452 157 E N 1.793 122.020 120.200 0.046 0.000 2.478 157 E HA -0.109 4.241 4.350 0.000 0.000 0.198 157 E C 1.765 178.387 176.600 0.036 0.000 1.046 157 E CA 1.228 57.654 56.400 0.043 0.000 0.870 157 E CB -0.034 29.691 29.700 0.042 0.000 0.818 157 E HN 0.922 nan 8.360 nan 0.000 0.527 158 S N 0.596 116.316 115.700 0.033 0.000 2.428 158 S HA -0.113 4.357 4.470 0.000 0.000 0.230 158 S C 1.480 176.094 174.600 0.023 0.000 1.014 158 S CA 0.272 58.488 58.200 0.027 0.000 0.957 158 S CB -0.081 63.134 63.200 0.025 0.000 0.784 158 S HN 0.042 nan 8.310 nan 0.000 0.499 159 R N 2.650 123.165 120.500 0.026 0.000 2.369 159 R HA 0.346 4.686 4.340 0.000 0.000 0.310 159 R C -1.855 174.458 176.300 0.022 0.000 1.141 159 R CA -2.073 54.037 56.100 0.017 0.000 1.116 159 R CB 0.881 31.189 30.300 0.013 0.000 1.135 159 R HN 0.191 nan 8.270 nan 0.000 0.529 160 P HA -0.198 nan 4.420 nan 0.000 0.212 160 P C 1.182 178.513 177.300 0.052 0.000 1.180 160 P CA 0.901 64.024 63.100 0.039 0.000 0.906 160 P CB 0.146 31.867 31.700 0.035 0.000 0.782 161 I N -0.559 120.033 120.570 0.037 0.000 2.248 161 I HA -0.204 3.967 4.170 0.000 0.000 0.248 161 I C 2.256 178.432 176.117 0.099 0.000 1.107 161 I CA 1.438 62.777 61.300 0.065 0.000 1.373 161 I CB -0.727 37.274 38.000 0.002 0.000 1.055 161 I HN -0.183 nan 8.210 nan 0.000 0.418 162 L N -0.207 121.029 121.223 0.021 0.000 2.552 162 L HA -0.046 4.295 4.340 0.000 0.000 0.227 162 L C 2.032 178.963 176.870 0.102 0.000 1.146 162 L CA 1.052 55.917 54.840 0.041 0.000 0.858 162 L CB -1.038 40.994 42.059 -0.045 0.000 0.969 162 L HN 0.397 nan 8.230 nan 0.000 0.451 163 T N -3.206 111.407 114.554 0.099 0.000 3.118 163 T HA 0.078 4.428 4.350 0.000 0.000 0.260 163 T C 0.966 175.746 174.700 0.133 0.000 1.139 163 T CA 0.343 62.505 62.100 0.104 0.000 1.085 163 T CB -0.165 68.757 68.868 0.089 0.000 0.934 163 T HN 0.268 nan 8.240 nan 0.000 0.518 164 G N 0.329 109.235 108.800 0.176 0.000 2.509 164 G HA2 0.579 4.539 3.960 0.000 0.000 0.328 164 G HA3 0.579 4.539 3.960 0.000 0.000 0.328 164 G C -1.216 173.807 174.900 0.206 0.000 1.194 164 G CA -0.723 44.492 45.100 0.192 0.000 0.967 164 G HN 0.255 nan 8.290 nan 0.000 0.488 165 V N 0.513 120.543 119.914 0.193 0.000 2.435 165 V HA 0.282 4.402 4.120 0.000 0.000 0.290 165 V C -0.078 176.110 176.094 0.156 0.000 1.030 165 V CA -0.741 61.645 62.300 0.144 0.000 0.881 165 V CB 1.319 33.271 31.823 0.216 0.000 0.983 165 V HN 0.799 nan 8.190 nan 0.000 0.445 166 H N 4.434 123.318 119.070 -0.311 0.000 2.604 166 H HA 0.416 4.972 4.556 0.000 0.000 0.306 166 H C -1.592 173.642 175.328 -0.156 0.000 1.075 166 H CA -0.531 55.285 56.048 -0.387 0.000 1.357 166 H CB 0.637 29.739 29.762 -1.099 0.000 1.426 166 H HN 0.501 nan 8.280 nan 0.000 0.470 167 F N 4.684 124.529 119.950 -0.174 0.000 2.427 167 F HA 0.253 4.781 4.527 0.001 0.000 0.348 167 F C -0.605 175.134 175.800 -0.103 0.000 1.125 167 F CA -0.632 57.334 58.000 -0.058 0.000 0.989 167 F CB 1.622 40.740 39.000 0.197 0.000 1.165 167 F HN 0.230 nan 8.300 nan 0.000 0.442 168 V N 5.421 125.231 119.914 -0.174 0.000 2.407 168 V HA 0.359 4.479 4.120 0.000 0.000 0.291 168 V C -0.770 175.041 176.094 -0.472 0.000 1.018 168 V CA -0.800 61.312 62.300 -0.314 0.000 0.842 168 V CB 1.676 33.272 31.823 -0.377 0.000 0.996 168 V HN 0.473 nan 8.190 nan 0.000 0.426 169 L N 4.671 125.302 121.223 -0.986 0.000 2.265 169 L HA 0.764 5.105 4.340 0.000 0.000 0.288 169 L C 0.180 176.722 176.870 -0.546 0.000 1.058 169 L CA 0.703 55.005 54.840 -0.896 0.000 0.809 169 L CB 1.450 42.647 42.059 -1.435 0.000 1.179 169 L HN 0.772 nan 8.230 nan 0.000 0.429 170 S N 4.254 119.740 115.700 -0.355 0.000 2.536 170 S HA 0.509 4.979 4.470 0.000 0.000 0.287 170 S C -0.383 174.064 174.600 -0.256 0.000 1.101 170 S CA -0.287 57.749 58.200 -0.274 0.000 0.950 170 S CB 1.178 64.252 63.200 -0.210 0.000 1.056 170 S HN 0.729 nan 8.310 nan 0.000 0.481 171 Q N 2.931 122.540 119.800 -0.319 0.000 2.475 171 Q HA -0.219 4.121 4.340 0.000 0.000 0.280 171 Q C -0.101 175.721 176.000 -0.297 0.000 1.234 171 Q CA 0.993 56.580 55.803 -0.360 0.000 0.873 171 Q CB -1.848 26.772 28.738 -0.195 0.000 1.256 171 Q HN 0.917 nan 8.270 nan 0.000 0.475 172 H N -5.691 113.309 119.070 -0.117 0.000 4.492 172 H HA -0.300 4.256 4.556 0.000 0.000 0.142 172 H C 1.479 176.746 175.328 -0.101 0.000 0.772 172 H CA 2.653 58.639 56.048 -0.105 0.000 1.239 172 H CB -1.419 28.302 29.762 -0.068 0.000 0.868 172 H HN 0.688 nan 8.280 nan 0.000 0.450 173 K N 0.698 121.088 120.400 -0.017 0.000 2.562 173 K HA 0.267 4.587 4.320 0.000 0.000 0.218 173 K C 0.535 177.094 176.600 -0.067 0.000 1.374 173 K CA 0.696 56.966 56.287 -0.028 0.000 0.996 173 K CB 0.966 33.463 32.500 -0.006 0.000 1.127 173 K HN 0.129 nan 8.250 nan 0.000 0.603 174 E N 1.148 121.283 120.200 -0.109 0.000 2.014 174 E HA 0.428 4.779 4.350 0.000 0.000 0.275 174 E C -1.306 175.199 176.600 -0.157 0.000 0.997 174 E CA -0.668 55.663 56.400 -0.114 0.000 0.804 174 E CB 0.840 30.472 29.700 -0.112 0.000 1.090 174 E HN 0.342 nan 8.360 nan 0.000 0.401 175 L N 4.239 125.388 121.223 -0.124 0.000 2.257 175 L HA 0.411 4.751 4.340 0.000 0.000 0.290 175 L C -0.615 176.173 176.870 -0.137 0.000 1.044 175 L CA -0.151 54.610 54.840 -0.132 0.000 0.810 175 L CB 0.694 42.730 42.059 -0.038 0.000 1.193 175 L HN 0.272 nan 8.230 nan 0.000 0.425 176 K N 3.117 123.404 120.400 -0.188 0.000 2.221 176 K HA 0.661 4.981 4.320 0.000 0.000 0.258 176 K C -1.046 175.360 176.600 -0.323 0.000 0.944 176 K CA -0.423 55.740 56.287 -0.207 0.000 0.823 176 K CB 1.239 33.626 32.500 -0.188 0.000 1.113 176 K HN 0.729 nan 8.250 nan 0.000 0.431 177 T N 0.113 114.448 114.554 -0.365 0.000 2.841 177 T HA 0.552 4.903 4.350 0.000 0.000 0.285 177 T C -0.692 173.805 174.700 -0.339 0.000 0.991 177 T CA -0.747 61.009 62.100 -0.574 0.000 0.966 177 T CB 1.258 69.599 68.868 -0.879 0.000 0.962 177 T HN 0.185 nan 8.240 nan 0.000 0.438 178 V N 1.672 121.409 119.914 -0.295 0.000 2.735 178 V HA 0.946 5.066 4.120 0.000 0.000 0.310 178 V C -0.059 175.977 176.094 -0.097 0.000 1.061 178 V CA -1.047 61.172 62.300 -0.135 0.000 0.913 178 V CB 1.599 33.409 31.823 -0.023 0.000 1.005 178 V HN 1.369 nan 8.190 nan 0.000 0.428 179 A N 2.116 124.915 122.820 -0.036 0.000 2.449 179 A HA 0.955 5.275 4.320 0.000 0.000 0.302 179 A C -0.570 177.022 177.584 0.014 0.000 1.048 179 A CA -0.572 51.483 52.037 0.030 0.000 0.708 179 A CB 2.308 21.273 19.000 -0.058 0.000 1.274 179 A HN 0.908 nan 8.150 nan 0.000 0.410 180 T N -0.084 114.512 114.554 0.071 0.000 2.889 180 T HA 0.497 4.847 4.350 0.000 0.000 0.315 180 T C -1.461 173.220 174.700 -0.031 0.000 1.291 180 T CA 0.081 62.164 62.100 -0.029 0.000 1.028 180 T CB 1.447 70.293 68.868 -0.037 0.000 1.235 180 T HN 0.790 nan 8.240 nan 0.000 0.491 181 D N 1.253 121.620 120.400 -0.054 0.000 2.501 181 D HA 0.181 4.821 4.640 0.000 0.000 0.226 181 D C 1.077 177.384 176.300 0.012 0.000 1.198 181 D CA 0.571 54.575 54.000 0.007 0.000 0.830 181 D CB -0.286 40.542 40.800 0.047 0.000 1.014 181 D HN 0.915 nan 8.370 nan 0.000 0.496 182 S N -1.102 114.532 115.700 -0.110 0.000 2.981 182 S HA -0.374 4.096 4.470 0.000 0.000 0.274 182 S C 0.580 174.928 174.600 -0.419 0.000 1.297 182 S CA 1.653 59.707 58.200 -0.243 0.000 1.266 182 S CB -2.384 60.654 63.200 -0.269 0.000 1.542 182 S HN 0.567 nan 8.310 nan 0.000 0.674 183 H N 1.480 120.477 119.070 -0.122 0.000 2.594 183 H HA 0.491 5.047 4.556 0.000 0.000 0.274 183 H C 0.843 176.009 175.328 -0.270 0.000 0.982 183 H CA 0.764 56.734 56.048 -0.131 0.000 1.228 183 H CB 0.421 30.152 29.762 -0.052 0.000 1.447 183 H HN 0.870 nan 8.280 nan 0.000 0.485 184 R N 0.164 120.498 120.500 -0.277 0.000 2.774 184 R HA 0.640 4.980 4.340 0.000 0.000 0.272 184 R C -1.898 174.259 176.300 -0.239 0.000 1.000 184 R CA -0.941 54.963 56.100 -0.327 0.000 0.906 184 R CB 1.681 31.669 30.300 -0.521 0.000 1.227 184 R HN 0.101 nan 8.270 nan 0.000 0.468 185 L N -0.375 120.725 121.223 -0.205 0.000 2.424 185 L HA 0.796 5.136 4.340 0.000 0.000 0.258 185 L C -1.314 175.467 176.870 -0.148 0.000 0.995 185 L CA -0.429 54.319 54.840 -0.154 0.000 0.821 185 L CB 2.676 44.672 42.059 -0.105 0.000 1.383 185 L HN 0.799 nan 8.230 nan 0.000 0.410 186 S N 2.169 117.791 115.700 -0.130 0.000 2.571 186 S HA 0.526 4.996 4.470 0.000 0.000 0.284 186 S C -1.587 173.009 174.600 -0.006 0.000 1.128 186 S CA -0.429 57.736 58.200 -0.059 0.000 0.970 186 S CB 1.583 64.700 63.200 -0.137 0.000 1.039 186 S HN 0.702 nan 8.310 nan 0.000 0.485 187 Q N 2.918 122.762 119.800 0.073 0.000 2.263 187 Q HA 0.462 4.802 4.340 0.000 0.000 0.266 187 Q C -1.694 174.401 176.000 0.159 0.000 1.002 187 Q CA -0.720 55.111 55.803 0.047 0.000 0.790 187 Q CB 1.383 30.125 28.738 0.007 0.000 1.272 187 Q HN 0.497 nan 8.270 nan 0.000 0.435 188 K N 2.958 123.393 120.400 0.059 0.000 2.292 188 K HA 0.466 4.786 4.320 0.000 0.000 0.257 188 K C -1.507 175.067 176.600 -0.044 0.000 0.940 188 K CA -0.302 56.011 56.287 0.044 0.000 0.811 188 K CB 1.304 33.753 32.500 -0.084 0.000 1.120 188 K HN 0.351 nan 8.250 nan 0.000 0.428 189 K N 3.685 124.076 120.400 -0.015 0.000 2.259 189 K HA 0.590 4.911 4.320 0.000 0.000 0.249 189 K C -0.933 175.647 176.600 -0.034 0.000 0.942 189 K CA -0.763 55.497 56.287 -0.045 0.000 0.816 189 K CB 1.528 34.006 32.500 -0.035 0.000 1.155 189 K HN 0.406 nan 8.250 nan 0.000 0.428 190 L N 0.726 121.922 121.223 -0.046 0.000 2.415 190 L HA 0.468 4.808 4.340 0.000 0.000 0.256 190 L C -0.812 176.038 176.870 -0.034 0.000 1.010 190 L CA -0.897 53.925 54.840 -0.031 0.000 0.826 190 L CB 2.814 44.858 42.059 -0.026 0.000 1.405 190 L HN 0.594 nan 8.230 nan 0.000 0.410 191 T N 2.624 117.164 114.554 -0.022 0.000 2.758 191 T HA 0.504 4.854 4.350 0.000 0.000 0.285 191 T C -0.057 174.636 174.700 -0.012 0.000 0.981 191 T CA -0.474 61.613 62.100 -0.022 0.000 0.965 191 T CB 0.764 69.621 68.868 -0.018 0.000 0.927 191 T HN 0.229 nan 8.240 nan 0.000 0.448 192 L N 3.058 124.274 121.223 -0.011 0.000 2.439 192 L HA 0.217 4.557 4.340 0.000 0.000 0.269 192 L C 1.879 178.749 176.870 0.000 0.000 1.179 192 L CA -0.330 54.511 54.840 0.002 0.000 0.828 192 L CB 0.556 42.621 42.059 0.009 0.000 1.106 192 L HN 0.757 nan 8.230 nan 0.000 0.467 193 E N 1.249 121.451 120.200 0.003 0.000 2.106 193 E HA -0.052 4.298 4.350 0.000 0.000 0.192 193 E C -0.030 176.570 176.600 -0.000 0.000 0.984 193 E CA 0.966 57.366 56.400 0.001 0.000 0.806 193 E CB 0.171 29.872 29.700 0.001 0.000 0.750 193 E HN 0.405 nan 8.360 nan 0.000 0.458 194 K N 1.394 121.795 120.400 0.001 0.000 2.267 194 K HA 0.309 4.629 4.320 0.000 0.000 0.246 194 K C -0.164 176.436 176.600 0.000 0.000 0.954 194 K CA -0.703 55.583 56.287 -0.003 0.000 0.824 194 K CB 1.366 33.862 32.500 -0.006 0.000 1.167 194 K HN -0.059 nan 8.250 nan 0.000 0.431 195 N N 0.392 119.088 118.700 -0.007 0.000 2.371 195 N HA 0.132 4.872 4.740 0.000 0.000 0.243 195 N C -0.262 175.241 175.510 -0.011 0.000 1.287 195 N CA 0.334 53.383 53.050 -0.002 0.000 0.911 195 N CB 0.982 39.444 38.487 -0.040 0.000 1.142 195 N HN 0.386 nan 8.380 nan 0.000 0.451 196 S N -0.910 114.793 115.700 0.006 0.000 2.611 196 S HA 0.138 4.608 4.470 0.000 0.000 0.268 196 S C -1.947 172.680 174.600 0.045 0.000 1.156 196 S CA -0.791 57.416 58.200 0.012 0.000 0.817 196 S CB 0.985 64.217 63.200 0.054 0.000 1.122 196 S HN 0.346 nan 8.310 nan 0.000 0.466 197 D N 2.513 122.938 120.400 0.042 0.000 2.425 197 D HA 0.132 4.772 4.640 0.000 0.000 0.247 197 D C -0.332 175.989 176.300 0.035 0.000 1.147 197 D CA 0.363 54.406 54.000 0.071 0.000 0.879 197 D CB 0.375 41.198 40.800 0.039 0.000 1.179 197 D HN 0.382 nan 8.370 nan 0.000 0.456 198 D N 1.223 121.630 120.400 0.012 0.000 2.478 198 D HA 0.123 4.764 4.640 0.000 0.000 0.234 198 D C 0.141 176.341 176.300 -0.168 0.000 1.154 198 D CA 0.681 54.571 54.000 -0.184 0.000 0.874 198 D CB 0.241 40.942 40.800 -0.164 0.000 1.198 198 D HN 0.257 nan 8.370 nan 0.000 0.455 199 F N -1.109 118.703 119.950 -0.230 0.000 2.713 199 F HA 0.518 5.046 4.527 0.000 0.000 0.311 199 F C -1.476 174.206 175.800 -0.198 0.000 1.141 199 F CA -1.300 56.511 58.000 -0.314 0.000 0.939 199 F CB 1.644 40.206 39.000 -0.731 0.000 1.325 199 F HN 0.007 nan 8.300 nan 0.000 0.453 200 D N 2.009 122.541 120.400 0.221 0.000 2.375 200 D HA 0.513 5.153 4.640 0.000 0.000 0.241 200 D C -1.508 174.947 176.300 0.257 0.000 1.361 200 D CA -0.071 54.047 54.000 0.198 0.000 0.995 200 D CB 1.758 42.636 40.800 0.131 0.000 1.312 200 D HN 0.892 nan 8.370 nan 0.000 0.576 201 V N 0.246 120.351 119.914 0.319 0.000 3.141 201 V HA 0.838 4.958 4.120 0.000 0.000 0.312 201 V C -0.918 175.379 176.094 0.339 0.000 1.157 201 V CA -0.795 61.674 62.300 0.281 0.000 1.041 201 V CB 2.250 34.212 31.823 0.232 0.000 1.071 201 V HN 0.149 nan 8.190 nan 0.000 0.441 202 V N 2.724 122.791 119.914 0.256 0.000 2.398 202 V HA 0.497 4.617 4.120 0.000 0.000 0.282 202 V C -0.375 175.834 176.094 0.193 0.000 1.014 202 V CA -0.140 62.304 62.300 0.241 0.000 0.838 202 V CB 1.026 32.977 31.823 0.213 0.000 1.018 202 V HN 0.767 nan 8.190 nan 0.000 0.432 203 I N 6.511 127.202 120.570 0.201 0.000 2.342 203 I HA 0.375 4.545 4.170 0.000 0.000 0.291 203 I C -2.254 173.965 176.117 0.169 0.000 1.010 203 I CA -2.092 59.298 61.300 0.149 0.000 1.308 203 I CB 1.724 39.768 38.000 0.072 0.000 1.400 203 I HN 0.343 nan 8.210 nan 0.000 0.488 204 P HA -0.034 nan 4.420 nan 0.000 0.264 204 P C 0.701 178.091 177.300 0.150 0.000 1.183 204 P CA 0.100 63.286 63.100 0.143 0.000 0.763 204 P CB 0.644 32.420 31.700 0.127 0.000 0.807 205 S N 4.225 120.010 115.700 0.141 0.000 2.399 205 S HA -0.233 4.237 4.470 0.000 0.000 0.231 205 S C 1.729 176.410 174.600 0.134 0.000 1.022 205 S CA 1.053 59.335 58.200 0.137 0.000 0.983 205 S CB -0.700 62.573 63.200 0.122 0.000 0.803 205 S HN 0.541 nan 8.310 nan 0.000 0.480 206 R N 1.224 121.802 120.500 0.130 0.000 2.148 206 R HA 0.150 4.490 4.340 0.000 0.000 0.223 206 R C 1.964 178.362 176.300 0.163 0.000 1.088 206 R CA 1.390 57.567 56.100 0.129 0.000 0.985 206 R CB -0.711 29.655 30.300 0.110 0.000 0.880 206 R HN 0.351 nan 8.270 nan 0.000 0.451 207 S N 1.210 117.022 115.700 0.187 0.000 2.383 207 S HA -0.017 4.453 4.470 0.000 0.000 0.227 207 S C 1.804 176.564 174.600 0.266 0.000 1.026 207 S CA 1.204 59.575 58.200 0.284 0.000 0.981 207 S CB -0.172 63.193 63.200 0.276 0.000 0.818 207 S HN 0.268 nan 8.310 nan 0.000 0.472 208 L N 0.847 122.165 121.223 0.158 0.000 2.141 208 L HA -0.031 4.309 4.340 0.000 0.000 0.209 208 L C 2.650 179.582 176.870 0.104 0.000 1.094 208 L CA 1.041 55.925 54.840 0.073 0.000 0.763 208 L CB -0.358 41.748 42.059 0.078 0.000 0.908 208 L HN 0.200 nan 8.230 nan 0.000 0.437 209 R N -0.328 120.245 120.500 0.122 0.000 2.115 209 R HA -0.119 4.221 4.340 0.000 0.000 0.230 209 R C 2.143 178.496 176.300 0.089 0.000 1.111 209 R CA 0.886 57.049 56.100 0.106 0.000 0.976 209 R CB -0.115 30.248 30.300 0.105 0.000 0.870 209 R HN 0.331 nan 8.270 nan 0.000 0.445 210 E N 0.233 120.509 120.200 0.126 0.000 2.152 210 E HA -0.173 4.178 4.350 0.000 0.000 0.192 210 E C 1.657 178.205 176.600 -0.087 0.000 0.983 210 E CA 0.725 57.194 56.400 0.114 0.000 0.818 210 E CB -0.247 29.637 29.700 0.307 0.000 0.758 210 E HN 0.264 nan 8.360 nan 0.000 0.467 211 F N 2.352 122.072 119.950 -0.383 0.000 2.091 211 F HA -0.243 4.284 4.527 0.000 0.000 0.299 211 F C 2.284 177.930 175.800 -0.256 0.000 1.103 211 F CA 1.693 59.296 58.000 -0.661 0.000 1.228 211 F CB -0.189 38.342 39.000 -0.781 0.000 0.984 211 F HN -0.128 nan 8.300 nan 0.000 0.477 212 S N 0.127 115.822 115.700 -0.009 0.000 2.419 212 S HA -0.083 4.388 4.470 0.000 0.000 0.233 212 S C 2.110 176.639 174.600 -0.118 0.000 1.016 212 S CA 0.876 59.063 58.200 -0.021 0.000 0.974 212 S CB -0.581 62.663 63.200 0.074 0.000 0.786 212 S HN 0.560 nan 8.310 nan 0.000 0.492 213 A N 0.513 123.254 122.820 -0.131 0.000 1.997 213 A HA 0.204 4.525 4.320 0.000 0.000 0.212 213 A C 2.184 179.639 177.584 -0.215 0.000 1.178 213 A CA 0.435 52.397 52.037 -0.125 0.000 0.698 213 A CB -0.380 18.582 19.000 -0.062 0.000 0.842 213 A HN 0.319 nan 8.150 nan 0.000 0.458 214 V N -0.985 118.723 119.914 -0.345 0.000 2.379 214 V HA -0.076 4.045 4.120 0.000 0.000 0.245 214 V C 0.526 176.186 176.094 -0.724 0.000 1.044 214 V CA 1.019 62.994 62.300 -0.541 0.000 1.036 214 V CB -0.676 30.726 31.823 -0.701 0.000 0.664 214 V HN 0.483 nan 8.190 nan 0.000 0.453 215 F N 1.610 121.236 119.950 -0.541 0.000 2.351 215 F HA 0.341 4.869 4.527 0.000 0.000 0.362 215 F C 1.098 176.706 175.800 -0.320 0.000 1.131 215 F CA -0.775 56.935 58.000 -0.483 0.000 1.187 215 F CB -0.009 38.513 39.000 -0.796 0.000 1.434 215 F HN 0.038 nan 8.300 nan 0.000 0.553 216 T N -2.218 112.271 114.554 -0.108 0.000 2.748 216 T HA 0.037 4.388 4.350 0.000 0.000 0.304 216 T C 0.887 175.574 174.700 -0.021 0.000 1.041 216 T CA -0.702 61.359 62.100 -0.066 0.000 1.033 216 T CB 0.860 69.686 68.868 -0.070 0.000 0.995 216 T HN 0.377 nan 8.240 nan 0.000 0.536 217 D N 0.316 120.707 120.400 -0.016 0.000 2.371 217 D HA -0.048 4.592 4.640 0.000 0.000 0.221 217 D C 1.766 178.069 176.300 0.006 0.000 0.986 217 D CA 0.612 54.612 54.000 -0.001 0.000 0.899 217 D CB -0.234 40.565 40.800 -0.002 0.000 0.902 217 D HN 0.782 nan 8.370 nan 0.000 0.530 218 D N 0.329 120.731 120.400 0.003 0.000 2.312 218 D HA -0.133 4.507 4.640 0.000 0.000 0.211 218 D C 0.742 177.055 176.300 0.022 0.000 0.964 218 D CA 0.150 54.155 54.000 0.008 0.000 0.877 218 D CB 0.097 40.897 40.800 0.001 0.000 0.924 218 D HN 0.236 nan 8.370 nan 0.000 0.515 219 I N 1.661 122.252 120.570 0.035 0.000 2.282 219 I HA 0.072 4.242 4.170 0.000 0.000 0.290 219 I C 1.187 177.330 176.117 0.044 0.000 1.090 219 I CA -0.321 61.015 61.300 0.059 0.000 1.231 219 I CB 0.843 38.918 38.000 0.124 0.000 1.434 219 I HN -0.200 nan 8.210 nan 0.000 0.487 220 E N 2.831 123.050 120.200 0.032 0.000 2.107 220 E HA -0.077 4.273 4.350 0.000 0.000 0.191 220 E C 0.688 177.301 176.600 0.022 0.000 0.982 220 E CA 0.989 57.404 56.400 0.024 0.000 0.809 220 E CB 0.237 29.948 29.700 0.019 0.000 0.756 220 E HN 0.715 nan 8.360 nan 0.000 0.459 221 T N -2.102 112.463 114.554 0.018 0.000 2.916 221 T HA 0.595 4.946 4.350 0.000 0.000 0.292 221 T C -0.687 174.008 174.700 -0.008 0.000 1.064 221 T CA -0.951 61.153 62.100 0.007 0.000 1.011 221 T CB 2.252 71.121 68.868 0.002 0.000 1.152 221 T HN -0.070 nan 8.240 nan 0.000 0.510 222 V N 0.362 120.257 119.914 -0.030 0.000 2.789 222 V HA 0.548 4.668 4.120 0.000 0.000 0.311 222 V C -1.093 174.958 176.094 -0.073 0.000 1.073 222 V CA -0.818 61.445 62.300 -0.061 0.000 0.921 222 V CB 2.025 33.757 31.823 -0.153 0.000 1.009 222 V HN 1.071 nan 8.190 nan 0.000 0.426 223 E N 5.627 125.779 120.200 -0.080 0.000 2.259 223 E HA 0.490 4.840 4.350 0.000 0.000 0.281 223 E C -0.932 175.468 176.600 -0.333 0.000 1.027 223 E CA -0.211 56.063 56.400 -0.211 0.000 0.838 223 E CB 1.712 31.330 29.700 -0.136 0.000 1.066 223 E HN 0.563 nan 8.360 nan 0.000 0.401 224 I N 3.822 124.061 120.570 -0.552 0.000 2.389 224 I HA 0.307 4.478 4.170 0.000 0.000 0.288 224 I C -0.809 174.790 176.117 -0.864 0.000 0.999 224 I CA -0.646 60.211 61.300 -0.738 0.000 1.129 224 I CB 0.701 38.209 38.000 -0.820 0.000 1.288 224 I HN 0.355 nan 8.210 nan 0.000 0.444 225 F N 5.528 125.139 119.950 -0.565 0.000 2.458 225 F HA 0.532 5.059 4.527 0.001 0.000 0.336 225 F C -0.285 175.190 175.800 -0.542 0.000 1.114 225 F CA -0.562 57.217 58.000 -0.368 0.000 0.987 225 F CB 1.299 40.172 39.000 -0.211 0.000 1.130 225 F HN 0.164 nan 8.300 nan 0.000 0.458 226 F N 1.885 121.805 119.950 -0.050 0.000 2.422 226 F HA 0.764 5.292 4.527 0.000 0.000 0.333 226 F C 0.359 176.153 175.800 -0.010 0.000 1.095 226 F CA -0.594 57.344 58.000 -0.103 0.000 1.038 226 F CB 1.460 40.360 39.000 -0.167 0.000 1.156 226 F HN 0.561 nan 8.300 nan 0.000 0.483 227 A N 1.285 124.190 122.820 0.142 0.000 2.483 227 A HA 0.620 4.940 4.320 0.000 0.000 0.286 227 A C 0.593 178.243 177.584 0.110 0.000 1.207 227 A CA -0.078 52.028 52.037 0.115 0.000 0.764 227 A CB 0.035 19.081 19.000 0.077 0.000 1.341 227 A HN 0.795 nan 8.150 nan 0.000 0.428 228 N N -0.655 118.095 118.700 0.084 0.000 2.120 228 N HA -0.201 4.540 4.740 0.000 0.000 0.188 228 N C 1.287 176.841 175.510 0.074 0.000 1.024 228 N CA 2.388 55.484 53.050 0.077 0.000 0.852 228 N CB -0.793 37.729 38.487 0.059 0.000 1.003 228 N HN 1.193 nan 8.380 nan 0.000 0.424 229 N N -1.155 117.581 118.700 0.061 0.000 2.220 229 N HA 0.121 4.861 4.740 0.000 0.000 0.195 229 N C 0.212 175.754 175.510 0.053 0.000 1.123 229 N CA 0.547 53.629 53.050 0.052 0.000 0.874 229 N CB 0.117 38.626 38.487 0.036 0.000 0.995 229 N HN 0.986 nan 8.380 nan 0.000 0.498 230 Q N -1.611 118.221 119.800 0.054 0.000 2.522 230 Q HA 0.606 4.946 4.340 0.000 0.000 0.285 230 Q C -1.899 174.099 176.000 -0.004 0.000 0.982 230 Q CA -0.869 54.963 55.803 0.048 0.000 0.805 230 Q CB 1.304 30.086 28.738 0.074 0.000 1.457 230 Q HN 0.100 nan 8.270 nan 0.000 0.394 231 I N 1.378 121.914 120.570 -0.057 0.000 2.646 231 I HA 0.609 4.779 4.170 0.000 0.000 0.299 231 I C -1.141 174.858 176.117 -0.195 0.000 1.036 231 I CA -0.818 60.305 61.300 -0.296 0.000 1.074 231 I CB 1.746 39.422 38.000 -0.541 0.000 1.258 231 I HN 0.719 nan 8.210 nan 0.000 0.430 232 L N 5.537 126.564 121.223 -0.326 0.000 2.325 232 L HA 0.703 5.043 4.340 0.000 0.000 0.281 232 L C -1.285 175.401 176.870 -0.306 0.000 1.004 232 L CA 0.131 54.810 54.840 -0.267 0.000 0.823 232 L CB 1.099 42.960 42.059 -0.329 0.000 1.236 232 L HN 0.498 nan 8.230 nan 0.000 0.415 233 F N 4.913 124.868 119.950 0.009 0.000 2.404 233 F HA 0.610 5.137 4.527 0.001 0.000 0.354 233 F C 0.442 176.302 175.800 0.100 0.000 1.122 233 F CA -0.359 57.641 58.000 0.000 0.000 1.080 233 F CB 1.044 40.075 39.000 0.053 0.000 1.131 233 F HN 0.403 nan 8.300 nan 0.000 0.471 234 R N 2.236 122.852 120.500 0.192 0.000 2.513 234 R HA 0.552 4.892 4.340 0.000 0.000 0.301 234 R C -0.509 175.908 176.300 0.195 0.000 0.968 234 R CA -0.254 55.979 56.100 0.222 0.000 0.872 234 R CB 1.897 32.309 30.300 0.188 0.000 1.177 234 R HN 0.863 nan 8.270 nan 0.000 0.444 235 S N 1.410 117.284 115.700 0.290 0.000 2.713 235 S HA 0.185 4.655 4.470 0.000 0.000 0.296 235 S C 1.041 175.740 174.600 0.166 0.000 1.114 235 S CA -0.604 57.729 58.200 0.221 0.000 0.997 235 S CB 1.352 64.744 63.200 0.321 0.000 1.249 235 S HN 0.725 nan 8.310 nan 0.000 0.534 236 E N 0.506 120.786 120.200 0.134 0.000 2.077 236 E HA -0.111 4.239 4.350 0.000 0.000 0.193 236 E C 1.181 177.862 176.600 0.135 0.000 0.989 236 E CA 1.493 57.960 56.400 0.112 0.000 0.800 236 E CB -0.085 29.672 29.700 0.096 0.000 0.746 236 E HN 0.611 nan 8.360 nan 0.000 0.452 237 N N -0.655 118.134 118.700 0.148 0.000 2.250 237 N HA 0.171 4.912 4.740 0.000 0.000 0.190 237 N C -0.393 175.212 175.510 0.157 0.000 1.116 237 N CA 0.253 53.414 53.050 0.185 0.000 0.881 237 N CB 1.289 39.857 38.487 0.135 0.000 1.006 237 N HN 0.134 nan 8.380 nan 0.000 0.491 238 I N 0.536 121.186 120.570 0.133 0.000 2.498 238 I HA 0.256 4.426 4.170 0.000 0.000 0.290 238 I C -0.536 175.693 176.117 0.187 0.000 1.032 238 I CA -0.499 60.861 61.300 0.100 0.000 1.073 238 I CB 2.214 40.170 38.000 -0.073 0.000 1.251 238 I HN -0.295 nan 8.210 nan 0.000 0.426 239 S N 5.482 121.278 115.700 0.159 0.000 2.478 239 S HA 0.515 4.985 4.470 0.000 0.000 0.312 239 S C -0.896 173.822 174.600 0.196 0.000 1.094 239 S CA -0.425 57.851 58.200 0.126 0.000 1.081 239 S CB 1.184 64.385 63.200 0.002 0.000 1.007 239 S HN 0.445 nan 8.310 nan 0.000 0.475 240 F N 4.559 124.570 119.950 0.102 0.000 2.430 240 F HA 0.539 5.066 4.527 0.001 0.000 0.362 240 F C -1.468 174.430 175.800 0.164 0.000 1.103 240 F CA -0.796 57.334 58.000 0.217 0.000 1.045 240 F CB 0.356 39.617 39.000 0.436 0.000 1.276 240 F HN 0.500 nan 8.300 nan 0.000 0.444 241 Y N 2.968 123.200 120.300 -0.114 0.000 2.352 241 Y HA 0.580 5.131 4.550 0.000 0.000 0.326 241 Y C 0.587 176.356 175.900 -0.219 0.000 1.166 241 Y CA -0.805 57.251 58.100 -0.073 0.000 1.182 241 Y CB 1.777 40.202 38.460 -0.058 0.000 1.216 241 Y HN 0.500 nan 8.280 nan 0.000 0.474 242 T N 2.377 117.007 114.554 0.126 0.000 2.909 242 T HA 0.493 4.843 4.350 0.000 0.000 0.299 242 T C -0.633 174.120 174.700 0.089 0.000 1.073 242 T CA -0.929 61.217 62.100 0.077 0.000 0.999 242 T CB 0.813 69.794 68.868 0.189 0.000 1.098 242 T HN 0.674 nan 8.240 nan 0.000 0.477 243 R N 2.310 122.847 120.500 0.063 0.000 2.594 243 R HA 0.471 4.812 4.340 0.000 0.000 0.272 243 R C -0.234 176.112 176.300 0.076 0.000 1.074 243 R CA -0.306 55.829 56.100 0.058 0.000 1.105 243 R CB 0.431 30.757 30.300 0.043 0.000 1.008 243 R HN 0.506 nan 8.270 nan 0.000 0.472 244 L N 3.405 124.671 121.223 0.072 0.000 2.343 244 L HA 0.364 4.704 4.340 0.000 0.000 0.275 244 L C -0.160 176.762 176.870 0.087 0.000 1.056 244 L CA -0.811 54.081 54.840 0.086 0.000 0.804 244 L CB 1.107 43.218 42.059 0.088 0.000 1.203 244 L HN 0.379 nan 8.230 nan 0.000 0.440 245 L N 2.460 123.745 121.223 0.104 0.000 2.313 245 L HA 0.237 4.577 4.340 0.000 0.000 0.282 245 L C 0.172 177.102 176.870 0.100 0.000 1.092 245 L CA -0.127 54.773 54.840 0.100 0.000 0.831 245 L CB 0.490 42.620 42.059 0.118 0.000 1.159 245 L HN 0.595 nan 8.230 nan 0.000 0.442 246 E N 1.656 121.903 120.200 0.079 0.000 2.280 246 E HA 0.751 5.101 4.350 0.000 0.000 0.264 246 E C 0.143 176.781 176.600 0.064 0.000 1.064 246 E CA -0.142 56.302 56.400 0.073 0.000 0.900 246 E CB 1.623 31.358 29.700 0.058 0.000 1.123 246 E HN 0.741 nan 8.360 nan 0.000 0.418 247 G N 1.082 109.916 108.800 0.057 0.000 2.406 247 G HA2 -0.130 3.830 3.960 0.000 0.000 0.680 247 G HA3 -0.130 3.830 3.960 0.000 0.000 0.680 247 G C -1.366 173.561 174.900 0.045 0.000 1.338 247 G CA -1.103 44.022 45.100 0.041 0.000 0.941 247 G HN 0.400 nan 8.290 nan 0.000 0.633 248 N N 0.143 118.855 118.700 0.019 0.000 2.408 248 N HA 0.368 5.108 4.740 0.000 0.000 0.257 248 N C -0.318 175.181 175.510 -0.017 0.000 1.064 248 N CA -0.172 52.885 53.050 0.012 0.000 0.952 248 N CB 1.174 39.660 38.487 -0.002 0.000 1.093 248 N HN 0.525 nan 8.380 nan 0.000 0.490 249 Y N 3.194 123.387 120.300 -0.177 0.000 2.411 249 Y HA 0.168 4.719 4.550 0.000 0.000 0.333 249 Y C -1.630 174.151 175.900 -0.197 0.000 1.186 249 Y CA -1.143 56.796 58.100 -0.268 0.000 1.381 249 Y CB 0.365 38.434 38.460 -0.651 0.000 1.273 249 Y HN 0.485 nan 8.280 nan 0.000 0.546 250 P HA 0.137 nan 4.420 nan 0.000 0.272 250 P C -1.076 176.211 177.300 -0.022 0.000 1.223 250 P CA 0.189 63.169 63.100 -0.201 0.000 0.784 250 P CB 0.340 31.870 31.700 -0.284 0.000 0.923 251 D N 0.315 120.713 120.400 -0.004 0.000 2.441 251 D HA 0.139 4.780 4.640 0.000 0.000 0.243 251 D C 1.230 177.549 176.300 0.031 0.000 1.257 251 D CA 0.155 54.177 54.000 0.037 0.000 1.027 251 D CB -0.779 40.030 40.800 0.016 0.000 1.084 251 D HN 0.466 nan 8.370 nan 0.000 0.514 252 T N -1.688 112.914 114.554 0.080 0.000 2.951 252 T HA -0.112 4.238 4.350 0.000 0.000 0.268 252 T C 1.229 175.950 174.700 0.035 0.000 1.073 252 T CA 0.887 63.025 62.100 0.063 0.000 1.134 252 T CB 0.079 69.028 68.868 0.135 0.000 0.884 252 T HN 0.410 nan 8.240 nan 0.000 0.479 253 D N 2.024 122.447 120.400 0.039 0.000 2.263 253 D HA -0.006 4.634 4.640 0.000 0.000 0.208 253 D C 2.078 178.379 176.300 0.003 0.000 0.971 253 D CA 1.071 55.081 54.000 0.017 0.000 0.867 253 D CB -0.234 40.574 40.800 0.014 0.000 0.929 253 D HN 0.588 nan 8.370 nan 0.000 0.492 254 R N 0.441 120.941 120.500 0.000 0.000 2.721 254 R HA 0.358 4.698 4.340 0.000 0.000 0.296 254 R C 1.435 177.724 176.300 -0.018 0.000 1.174 254 R CA 0.041 56.135 56.100 -0.011 0.000 1.129 254 R CB -1.246 29.046 30.300 -0.012 0.000 1.316 254 R HN 0.246 nan 8.270 nan 0.000 0.571 255 L N -0.463 120.750 121.223 -0.017 0.000 2.878 255 L HA 0.406 4.746 4.340 0.000 0.000 0.253 255 L C 0.494 177.351 176.870 -0.023 0.000 1.135 255 L CA -0.051 54.774 54.840 -0.025 0.000 0.943 255 L CB 0.518 42.559 42.059 -0.032 0.000 1.307 255 L HN 0.453 nan 8.230 nan 0.000 0.545 256 I N -0.478 120.084 120.570 -0.013 0.000 2.312 256 I HA 0.459 4.630 4.170 0.000 0.000 0.290 256 I C -2.164 173.949 176.117 -0.007 0.000 1.008 256 I CA -1.893 59.410 61.300 0.004 0.000 1.226 256 I CB 0.675 38.684 38.000 0.015 0.000 1.371 256 I HN -0.148 nan 8.210 nan 0.000 0.468 257 P HA 0.290 nan 4.420 nan 0.000 0.274 257 P C 0.292 177.472 177.300 -0.200 0.000 1.231 257 P CA -0.212 62.785 63.100 -0.172 0.000 0.790 257 P CB 1.262 32.774 31.700 -0.314 0.000 0.951 258 T N -2.296 112.117 114.554 -0.236 0.000 3.085 258 T HA 0.405 4.755 4.350 0.000 0.000 0.264 258 T C 0.478 175.055 174.700 -0.205 0.000 1.019 258 T CA 0.555 62.583 62.100 -0.120 0.000 0.910 258 T CB -0.450 68.389 68.868 -0.047 0.000 1.059 258 T HN 0.677 nan 8.240 nan 0.000 0.542 259 D N 0.207 120.290 120.400 -0.528 0.000 2.879 259 D HA 0.699 5.340 4.640 0.000 0.000 0.236 259 D C -1.356 174.503 176.300 -0.734 0.000 1.171 259 D CA -0.623 53.140 54.000 -0.394 0.000 0.868 259 D CB 1.489 42.176 40.800 -0.189 0.000 1.598 259 D HN 0.189 nan 8.370 nan 0.000 0.497 260 F N 0.616 120.582 119.950 0.027 0.000 2.588 260 F HA 0.511 5.038 4.527 0.001 0.000 0.314 260 F C 1.134 176.966 175.800 0.054 0.000 1.069 260 F CA -0.982 57.047 58.000 0.048 0.000 0.931 260 F CB 2.635 41.659 39.000 0.040 0.000 1.260 260 F HN 0.400 nan 8.300 nan 0.000 0.465 261 N N -0.276 118.583 118.700 0.265 0.000 2.250 261 N HA 0.132 4.872 4.740 0.000 0.000 0.190 261 N C -0.518 175.090 175.510 0.164 0.000 1.116 261 N CA 0.422 53.572 53.050 0.166 0.000 0.881 261 N CB 1.097 39.655 38.487 0.119 0.000 1.006 261 N HN 0.504 nan 8.380 nan 0.000 0.491 262 T N 0.159 114.854 114.554 0.236 0.000 2.956 262 T HA 0.412 4.763 4.350 0.000 0.000 0.312 262 T C -0.499 174.352 174.700 0.251 0.000 1.151 262 T CA -0.654 61.571 62.100 0.208 0.000 1.024 262 T CB 2.615 71.596 68.868 0.189 0.000 1.140 262 T HN 0.112 nan 8.240 nan 0.000 0.473 263 T N 0.189 114.828 114.554 0.143 0.000 2.916 263 T HA 0.852 5.202 4.350 0.000 0.000 0.305 263 T C -1.242 173.475 174.700 0.029 0.000 1.119 263 T CA -0.771 61.369 62.100 0.067 0.000 1.008 263 T CB 0.993 69.834 68.868 -0.045 0.000 1.129 263 T HN 0.549 nan 8.240 nan 0.000 0.480 264 I N 1.482 122.043 120.570 -0.015 0.000 2.619 264 I HA 0.452 4.622 4.170 0.000 0.000 0.292 264 I C -0.525 175.386 176.117 -0.343 0.000 1.100 264 I CA -0.918 60.239 61.300 -0.240 0.000 1.043 264 I CB 2.884 40.653 38.000 -0.385 0.000 1.239 264 I HN 0.665 nan 8.210 nan 0.000 0.420 265 T N 5.323 119.631 114.554 -0.409 0.000 2.791 265 T HA 0.600 4.951 4.350 0.000 0.000 0.288 265 T C -0.728 173.785 174.700 -0.311 0.000 0.999 265 T CA -0.281 61.668 62.100 -0.251 0.000 0.952 265 T CB 0.369 69.162 68.868 -0.126 0.000 0.938 265 T HN 0.128 nan 8.240 nan 0.000 0.444 266 F N 2.142 122.099 119.950 0.012 0.000 2.507 266 F HA 0.427 4.954 4.527 -0.000 0.000 0.327 266 F C 0.891 176.700 175.800 0.015 0.000 1.068 266 F CA -1.289 56.723 58.000 0.019 0.000 0.965 266 F CB 1.042 40.060 39.000 0.031 0.000 1.192 266 F HN 0.365 nan 8.300 nan 0.000 0.476 267 N N 1.153 119.989 118.700 0.227 0.000 2.483 267 N HA 0.023 4.764 4.740 0.000 0.000 0.264 267 N C 0.776 176.365 175.510 0.131 0.000 1.197 267 N CA 0.154 53.287 53.050 0.139 0.000 0.927 267 N CB 1.405 39.950 38.487 0.096 0.000 1.065 267 N HN 0.470 nan 8.380 nan 0.000 0.461 268 V N 4.385 124.354 119.914 0.091 0.000 2.307 268 V HA -0.199 3.921 4.120 0.000 0.000 0.245 268 V C 2.295 178.410 176.094 0.036 0.000 1.045 268 V CA 1.264 63.602 62.300 0.063 0.000 1.024 268 V CB -0.270 31.585 31.823 0.054 0.000 0.651 268 V HN 0.570 nan 8.190 nan 0.000 0.449 269 V N 0.806 120.741 119.914 0.035 0.000 2.233 269 V HA -0.280 3.840 4.120 0.000 0.000 0.247 269 V C 2.374 178.479 176.094 0.019 0.000 1.050 269 V CA 2.367 64.681 62.300 0.023 0.000 1.010 269 V CB -0.915 30.921 31.823 0.023 0.000 0.637 269 V HN 0.577 nan 8.190 nan 0.000 0.444 270 N N 0.099 118.818 118.700 0.032 0.000 2.061 270 N HA -0.177 4.564 4.740 0.000 0.000 0.193 270 N C 1.676 177.188 175.510 0.004 0.000 1.030 270 N CA 1.537 54.605 53.050 0.030 0.000 0.856 270 N CB -0.689 37.833 38.487 0.057 0.000 1.023 270 N HN 0.362 nan 8.380 nan 0.000 0.424 271 L N 1.751 122.965 121.223 -0.015 0.000 2.046 271 L HA -0.061 4.279 4.340 0.000 0.000 0.208 271 L C 2.366 179.186 176.870 -0.084 0.000 1.077 271 L CA 1.553 56.317 54.840 -0.128 0.000 0.747 271 L CB -0.606 41.275 42.059 -0.297 0.000 0.896 271 L HN 0.082 nan 8.230 nan 0.000 0.432 272 R N -0.856 119.620 120.500 -0.039 0.000 2.091 272 R HA -0.204 4.136 4.340 0.000 0.000 0.238 272 R C 2.224 178.515 176.300 -0.015 0.000 1.136 272 R CA 2.012 58.102 56.100 -0.018 0.000 0.959 272 R CB -0.156 30.141 30.300 -0.005 0.000 0.856 272 R HN 0.582 nan 8.270 nan 0.000 0.437 273 Q N -0.312 119.480 119.800 -0.013 0.000 2.230 273 Q HA 0.008 4.348 4.340 0.000 0.000 0.202 273 Q C 0.813 176.803 176.000 -0.018 0.000 0.963 273 Q CA 0.503 56.299 55.803 -0.011 0.000 0.866 273 Q CB 0.193 28.929 28.738 -0.004 0.000 0.931 273 Q HN 0.152 nan 8.270 nan 0.000 0.452 277 R N 1.516 122.002 120.500 -0.023 0.000 2.080 277 R HA -0.046 4.294 4.340 0.000 0.000 0.236 277 R C 2.385 178.665 176.300 -0.034 0.000 1.137 277 R CA 1.741 57.825 56.100 -0.027 0.000 0.943 277 R CB -0.290 29.992 30.300 -0.029 0.000 0.846 277 R HN 0.135 nan 8.270 nan 0.000 0.431 278 A N 1.233 124.026 122.820 -0.044 0.000 1.917 278 A HA -0.242 4.078 4.320 0.000 0.000 0.219 278 A C 2.151 179.702 177.584 -0.055 0.000 1.182 278 A CA 1.747 53.749 52.037 -0.058 0.000 0.633 278 A CB -0.568 18.384 19.000 -0.081 0.000 0.819 278 A HN 0.295 nan 8.150 nan 0.000 0.448 279 R N -0.459 120.013 120.500 -0.046 0.000 2.115 279 R HA -0.004 4.337 4.340 0.000 0.000 0.230 279 R C 1.931 178.209 176.300 -0.037 0.000 1.111 279 R CA 1.084 57.157 56.100 -0.045 0.000 0.976 279 R CB -0.391 29.890 30.300 -0.033 0.000 0.870 279 R HN 0.533 nan 8.270 nan 0.000 0.445 280 L N 0.392 121.597 121.223 -0.030 0.000 2.013 280 L HA -0.242 4.098 4.340 0.000 0.000 0.212 280 L C 2.115 178.969 176.870 -0.027 0.000 1.073 280 L CA 1.265 56.090 54.840 -0.024 0.000 0.753 280 L CB -0.258 41.790 42.059 -0.019 0.000 0.890 280 L HN 0.248 nan 8.230 nan 0.000 0.432 281 L N -1.081 120.124 121.223 -0.029 0.000 2.209 281 L HA -0.085 4.256 4.340 0.000 0.000 0.207 281 L C 2.733 179.579 176.870 -0.040 0.000 1.094 281 L CA 1.381 56.204 54.840 -0.028 0.000 0.790 281 L CB -0.420 41.628 42.059 -0.018 0.000 0.932 281 L HN 0.281 nan 8.230 nan 0.000 0.447 282 S N -1.477 114.193 115.700 -0.049 0.000 2.453 282 S HA -0.121 4.349 4.470 0.000 0.000 0.231 282 S C 2.009 176.574 174.600 -0.060 0.000 1.005 282 S CA 0.833 58.996 58.200 -0.061 0.000 0.949 282 S CB -0.627 62.526 63.200 -0.078 0.000 0.774 282 S HN 0.468 nan 8.310 nan 0.000 0.510 283 S N 1.293 116.963 115.700 -0.051 0.000 2.555 283 S HA 0.329 4.800 4.470 0.000 0.000 0.230 283 S C 1.816 176.391 174.600 -0.041 0.000 0.978 283 S CA 0.375 58.547 58.200 -0.046 0.000 0.934 283 S CB -0.503 62.675 63.200 -0.037 0.000 0.766 283 S HN 0.731 nan 8.310 nan 0.000 0.533 284 A N 1.836 124.630 122.820 -0.043 0.000 1.873 284 A HA 0.272 4.592 4.320 0.000 0.000 0.215 284 A C 1.613 179.168 177.584 -0.048 0.000 1.186 284 A CA 1.516 53.528 52.037 -0.043 0.000 0.616 284 A CB -1.728 17.244 19.000 -0.047 0.000 0.823 284 A HN 0.708 nan 8.150 nan 0.000 0.442 285 T N -2.216 112.303 114.554 -0.057 0.000 2.897 285 T HA 0.495 4.846 4.350 0.000 0.000 0.294 285 T C 1.048 175.720 174.700 -0.047 0.000 1.004 285 T CA 0.467 62.534 62.100 -0.055 0.000 1.106 285 T CB 0.433 69.262 68.868 -0.065 0.000 0.949 285 T HN 0.645 nan 8.240 nan 0.000 0.520 286 Q N 1.202 120.979 119.800 -0.038 0.000 2.230 286 Q HA 0.031 4.371 4.340 0.000 0.000 0.202 286 Q C 1.973 177.949 176.000 -0.039 0.000 0.963 286 Q CA 1.788 57.570 55.803 -0.035 0.000 0.866 286 Q CB -1.358 27.366 28.738 -0.025 0.000 0.931 286 Q HN 1.108 nan 8.270 nan 0.000 0.452 287 N N 0.968 119.646 118.700 -0.037 0.000 2.375 287 N HA 0.407 5.148 4.740 0.000 0.000 0.220 287 N C 0.972 176.455 175.510 -0.045 0.000 1.170 287 N CA 0.250 53.280 53.050 -0.033 0.000 0.833 287 N CB -0.036 38.439 38.487 -0.021 0.000 1.069 287 N HN 0.740 nan 8.380 nan 0.000 0.479 288 G N 1.108 109.872 108.800 -0.060 0.000 2.367 288 G HA2 0.400 4.360 3.960 0.000 0.000 0.280 288 G HA3 0.400 4.360 3.960 0.000 0.000 0.280 288 G C 0.605 175.453 174.900 -0.087 0.000 1.175 288 G CA 0.649 45.707 45.100 -0.071 0.000 1.001 288 G HN 0.623 nan 8.290 nan 0.000 0.437 289 T N -0.795 113.708 114.554 -0.085 0.000 2.950 289 T HA 0.650 5.001 4.350 0.000 0.000 0.288 289 T C -0.258 174.341 174.700 -0.168 0.000 1.035 289 T CA -0.955 61.073 62.100 -0.120 0.000 1.028 289 T CB 2.116 70.938 68.868 -0.077 0.000 1.109 289 T HN 0.510 nan 8.240 nan 0.000 0.514 290 V N 0.689 120.414 119.914 -0.315 0.000 2.547 290 V HA 0.588 4.709 4.120 0.000 0.000 0.299 290 V C -0.354 175.504 176.094 -0.393 0.000 1.040 290 V CA -0.988 61.100 62.300 -0.353 0.000 0.913 290 V CB 1.476 33.035 31.823 -0.441 0.000 0.992 290 V HN 0.998 nan 8.190 nan 0.000 0.449 291 K N 5.218 125.515 120.400 -0.172 0.000 2.240 291 K HA 0.473 4.793 4.320 0.000 0.000 0.271 291 K C -1.387 175.214 176.600 0.001 0.000 1.018 291 K CA -0.705 55.541 56.287 -0.068 0.000 0.874 291 K CB 1.327 33.836 32.500 0.014 0.000 1.098 291 K HN 0.561 nan 8.250 nan 0.000 0.458 292 L N 3.825 125.065 121.223 0.028 0.000 2.282 292 L HA 0.306 4.647 4.340 0.000 0.000 0.288 292 L C -0.565 176.346 176.870 0.068 0.000 1.033 292 L CA 0.074 54.972 54.840 0.097 0.000 0.807 292 L CB 1.393 43.564 42.059 0.187 0.000 1.209 292 L HN 0.636 nan 8.230 nan 0.000 0.423 293 E N 4.632 124.902 120.200 0.116 0.000 2.129 293 E HA 0.455 4.805 4.350 0.000 0.000 0.268 293 E C -1.276 175.343 176.600 0.032 0.000 0.900 293 E CA -0.440 55.994 56.400 0.057 0.000 0.755 293 E CB 0.988 30.736 29.700 0.081 0.000 1.117 293 E HN 0.519 nan 8.360 nan 0.000 0.410 294 I N 3.874 124.426 120.570 -0.031 0.000 2.390 294 I HA 0.345 4.515 4.170 0.000 0.000 0.283 294 I C -0.193 175.905 176.117 -0.032 0.000 1.016 294 I CA -0.189 61.088 61.300 -0.039 0.000 1.151 294 I CB 1.367 39.303 38.000 -0.107 0.000 1.293 294 I HN 0.370 nan 8.210 nan 0.000 0.458 295 K N 2.480 122.874 120.400 -0.010 0.000 2.604 295 K HA 0.444 4.764 4.320 0.000 0.000 0.247 295 K C 0.048 176.644 176.600 -0.007 0.000 0.956 295 K CA -0.590 55.690 56.287 -0.010 0.000 0.896 295 K CB 0.979 33.476 32.500 -0.005 0.000 1.131 295 K HN 0.505 nan 8.250 nan 0.000 0.440 296 D N 1.504 121.898 120.400 -0.010 0.000 2.708 296 D HA -0.158 4.482 4.640 0.000 0.000 0.236 296 D C 1.408 177.702 176.300 -0.010 0.000 1.146 296 D CA 2.440 56.435 54.000 -0.009 0.000 0.662 296 D CB -1.422 39.375 40.800 -0.006 0.000 1.059 296 D HN 2.384 nan 8.370 nan 0.000 0.428 297 G N -2.650 106.141 108.800 -0.015 0.000 2.195 297 G HA2 -0.257 3.704 3.960 0.000 0.000 0.246 297 G HA3 -0.257 3.704 3.960 0.000 0.000 0.246 297 G C 0.360 175.251 174.900 -0.015 0.000 0.984 297 G CA 0.066 45.154 45.100 -0.021 0.000 0.633 297 G HN 1.327 nan 8.290 nan 0.000 0.525 298 V N 1.421 121.335 119.914 -0.001 0.000 2.432 298 V HA 0.597 4.717 4.120 0.000 0.000 0.275 298 V C 0.587 176.700 176.094 0.032 0.000 1.043 298 V CA -0.657 61.653 62.300 0.016 0.000 0.925 298 V CB 1.711 33.547 31.823 0.021 0.000 0.985 298 V HN 0.269 nan 8.190 nan 0.000 0.466 299 V N 4.824 124.772 119.914 0.056 0.000 2.459 299 V HA 0.727 4.847 4.120 0.000 0.000 0.295 299 V C 0.065 176.217 176.094 0.096 0.000 1.029 299 V CA -0.208 62.151 62.300 0.098 0.000 0.874 299 V CB 1.824 33.759 31.823 0.187 0.000 0.985 299 V HN 1.051 nan 8.190 nan 0.000 0.438 300 S N 3.217 118.973 115.700 0.093 0.000 2.546 300 S HA 0.908 5.379 4.470 0.000 0.000 0.274 300 S C -0.616 173.958 174.600 -0.043 0.000 1.121 300 S CA -0.531 57.675 58.200 0.010 0.000 0.887 300 S CB 2.048 65.264 63.200 0.027 0.000 1.094 300 S HN 1.230 nan 8.310 nan 0.000 0.474 301 A N 2.262 124.954 122.820 -0.213 0.000 2.312 301 A HA 0.794 5.114 4.320 0.000 0.000 0.328 301 A C -0.605 176.704 177.584 -0.458 0.000 1.158 301 A CA -0.626 51.297 52.037 -0.190 0.000 0.821 301 A CB 0.597 19.525 19.000 -0.120 0.000 1.170 301 A HN 0.913 nan 8.150 nan 0.000 0.490 302 H N 0.859 119.899 119.070 -0.050 0.000 2.877 302 H HA 0.494 5.050 4.556 0.000 0.000 0.347 302 H C -1.543 173.761 175.328 -0.041 0.000 1.042 302 H CA -0.380 55.646 56.048 -0.035 0.000 1.276 302 H CB 1.821 31.567 29.762 -0.027 0.000 1.681 302 H HN 0.411 nan 8.280 nan 0.000 0.521 303 V N 2.762 122.721 119.914 0.074 0.000 2.735 303 V HA 0.181 4.301 4.120 0.000 0.000 0.310 303 V C -0.688 175.482 176.094 0.127 0.000 1.061 303 V CA -0.725 61.608 62.300 0.054 0.000 0.913 303 V CB 2.368 34.189 31.823 -0.005 0.000 1.005 303 V HN 0.761 nan 8.190 nan 0.000 0.428 304 H N 1.965 121.034 119.070 -0.003 0.000 3.013 304 H HA 0.588 5.145 4.556 0.001 0.000 0.326 304 H C -0.973 174.349 175.328 -0.010 0.000 0.973 304 H CA -0.381 55.665 56.048 -0.002 0.000 1.369 304 H CB 1.608 31.372 29.762 0.002 0.000 1.598 304 H HN 0.523 nan 8.280 nan 0.000 0.518 305 S N 7.796 123.371 115.700 -0.208 0.000 2.461 305 S HA 0.308 4.779 4.470 0.000 0.000 0.322 305 S C -2.603 171.802 174.600 -0.324 0.000 1.063 305 S CA -1.251 56.778 58.200 -0.285 0.000 1.120 305 S CB 0.933 64.065 63.200 -0.113 0.000 0.968 305 S HN 0.596 nan 8.310 nan 0.000 0.467 306 P HA 0.198 nan 4.420 nan 0.000 0.264 306 P C 0.649 177.917 177.300 -0.053 0.000 1.183 306 P CA 0.936 63.920 63.100 -0.192 0.000 0.763 306 P CB 0.005 31.613 31.700 -0.152 0.000 0.807 307 E N 0.138 120.351 120.200 0.021 0.000 2.805 307 E HA -0.253 4.097 4.350 0.000 0.000 0.266 307 E C 0.547 177.149 176.600 0.004 0.000 1.092 307 E CA 1.708 58.118 56.400 0.016 0.000 0.781 307 E CB -2.543 27.160 29.700 0.005 0.000 1.379 307 E HN 0.279 nan 8.360 nan 0.000 0.433 308 V N -2.751 117.164 119.914 0.002 0.000 3.029 308 V HA 0.753 4.873 4.120 0.000 0.000 0.230 308 V C 1.521 177.626 176.094 0.017 0.000 1.254 308 V CA 1.276 63.575 62.300 -0.001 0.000 1.276 308 V CB 0.963 32.774 31.823 -0.020 0.000 1.080 308 V HN 1.734 nan 8.190 nan 0.000 0.495 309 G N 0.716 109.539 108.800 0.040 0.000 2.327 309 G HA2 0.415 4.376 3.960 0.000 0.000 0.291 309 G HA3 0.415 4.376 3.960 0.000 0.000 0.291 309 G C -1.849 173.111 174.900 0.100 0.000 1.290 309 G CA -0.207 44.928 45.100 0.059 0.000 0.857 309 G HN 0.465 nan 8.290 nan 0.000 0.520 310 K N -1.508 118.940 120.400 0.080 0.000 2.536 310 K HA 0.782 5.102 4.320 0.000 0.000 0.269 310 K C -1.533 175.089 176.600 0.037 0.000 0.965 310 K CA -0.986 55.355 56.287 0.089 0.000 0.860 310 K CB 2.464 35.032 32.500 0.113 0.000 1.423 310 K HN 0.583 nan 8.250 nan 0.000 0.438 311 V N 1.695 121.624 119.914 0.025 0.000 2.459 311 V HA 0.385 4.505 4.120 0.000 0.000 0.295 311 V C -0.878 175.189 176.094 -0.044 0.000 1.029 311 V CA -0.775 61.514 62.300 -0.018 0.000 0.874 311 V CB 1.347 33.145 31.823 -0.040 0.000 0.985 311 V HN 0.860 nan 8.190 nan 0.000 0.438 312 N N 3.588 122.243 118.700 -0.075 0.000 2.461 312 N HA 0.366 5.106 4.740 0.000 0.000 0.284 312 N C -1.206 174.201 175.510 -0.173 0.000 1.049 312 N CA -0.405 52.541 53.050 -0.173 0.000 0.889 312 N CB 2.190 40.659 38.487 -0.030 0.000 1.365 312 N HN 0.904 nan 8.380 nan 0.000 0.499 313 E N 2.169 122.211 120.200 -0.263 0.000 2.274 313 E HA 0.182 4.532 4.350 0.000 0.000 0.269 313 E C -1.316 175.204 176.600 -0.134 0.000 0.891 313 E CA -0.525 55.786 56.400 -0.148 0.000 0.784 313 E CB 1.475 31.108 29.700 -0.112 0.000 1.225 313 E HN 0.538 nan 8.360 nan 0.000 0.412 314 E N 4.168 124.330 120.200 -0.063 0.000 2.354 314 E HA 0.284 4.634 4.350 0.000 0.000 0.269 314 E C -0.780 175.827 176.600 0.012 0.000 1.036 314 E CA -0.236 56.155 56.400 -0.015 0.000 0.876 314 E CB 0.777 30.479 29.700 0.004 0.000 1.009 314 E HN 0.460 nan 8.360 nan 0.000 0.416 315 I N 3.988 124.591 120.570 0.056 0.000 2.410 315 I HA 0.174 4.345 4.170 0.000 0.000 0.286 315 I C -0.547 175.657 176.117 0.145 0.000 1.009 315 I CA -0.994 60.368 61.300 0.103 0.000 1.111 315 I CB 1.663 39.750 38.000 0.145 0.000 1.262 315 I HN 0.499 nan 8.210 nan 0.000 0.443 316 D N 4.156 124.624 120.400 0.114 0.000 2.419 316 D HA 0.241 4.881 4.640 0.000 0.000 0.236 316 D C -0.222 176.155 176.300 0.129 0.000 1.165 316 D CA 0.890 54.947 54.000 0.095 0.000 0.882 316 D CB 0.865 41.707 40.800 0.070 0.000 1.201 316 D HN 0.415 nan 8.370 nan 0.000 0.443 317 T N -0.008 114.570 114.554 0.040 0.000 2.982 317 T HA 0.146 4.496 4.350 0.000 0.000 0.321 317 T C 0.452 175.111 174.700 -0.068 0.000 1.229 317 T CA -0.669 61.396 62.100 -0.059 0.000 1.044 317 T CB 1.908 70.682 68.868 -0.157 0.000 1.184 317 T HN 0.167 nan 8.240 nan 0.000 0.477 318 D N 0.741 121.083 120.400 -0.098 0.000 2.249 318 D HA 0.133 4.773 4.640 0.000 0.000 0.205 318 D C 0.487 176.736 176.300 -0.086 0.000 0.962 318 D CA 0.810 54.769 54.000 -0.068 0.000 0.860 318 D CB 0.409 41.181 40.800 -0.046 0.000 0.955 318 D HN 0.588 nan 8.370 nan 0.000 0.505 319 Q N -0.676 119.041 119.800 -0.139 0.000 2.518 319 Q HA 0.357 4.697 4.340 0.000 0.000 0.254 319 Q C -2.374 173.533 176.000 -0.156 0.000 0.962 319 Q CA -0.415 55.318 55.803 -0.118 0.000 0.982 319 Q CB 1.803 30.488 28.738 -0.088 0.000 1.516 319 Q HN 0.128 nan 8.270 nan 0.000 0.426 320 V N 2.192 122.040 119.914 -0.110 0.000 2.680 320 V HA 0.803 4.923 4.120 0.000 0.000 0.309 320 V C -0.432 175.632 176.094 -0.050 0.000 1.052 320 V CA -0.499 61.744 62.300 -0.095 0.000 0.908 320 V CB 2.013 33.784 31.823 -0.086 0.000 1.001 320 V HN 0.831 nan 8.190 nan 0.000 0.431 321 T N 1.963 116.501 114.554 -0.027 0.000 2.916 321 T HA 0.741 5.091 4.350 0.000 0.000 0.305 321 T C 0.054 174.765 174.700 0.019 0.000 1.119 321 T CA 0.855 62.952 62.100 -0.005 0.000 1.008 321 T CB 1.470 70.336 68.868 -0.004 0.000 1.129 321 T HN 1.771 nan 8.240 nan 0.000 0.480 322 G N 2.977 111.790 108.800 0.022 0.000 2.542 322 G HA2 -0.112 3.848 3.960 0.000 0.000 0.235 322 G HA3 -0.112 3.848 3.960 0.000 0.000 0.235 322 G C -0.693 174.220 174.900 0.023 0.000 1.286 322 G CA -0.353 44.769 45.100 0.035 0.000 0.904 322 G HN 0.751 nan 8.290 nan 0.000 0.577 323 E N 1.199 121.416 120.200 0.029 0.000 2.312 323 E HA 0.352 4.703 4.350 0.000 0.000 0.259 323 E C 0.216 176.811 176.600 -0.008 0.000 1.122 323 E CA -0.524 55.884 56.400 0.013 0.000 0.922 323 E CB 0.445 30.157 29.700 0.020 0.000 1.109 323 E HN 0.488 nan 8.360 nan 0.000 0.442 324 D N 0.683 121.073 120.400 -0.017 0.000 2.362 324 D HA 0.248 4.888 4.640 0.000 0.000 0.238 324 D C -0.132 176.136 176.300 -0.053 0.000 1.212 324 D CA 0.184 54.162 54.000 -0.035 0.000 0.902 324 D CB 0.728 41.512 40.800 -0.027 0.000 1.180 324 D HN 0.046 nan 8.370 nan 0.000 0.445 325 L N -0.123 121.049 121.223 -0.086 0.000 2.666 325 L HA 0.221 4.561 4.340 0.000 0.000 0.259 325 L C -1.388 175.411 176.870 -0.118 0.000 0.919 325 L CA -0.177 54.594 54.840 -0.115 0.000 0.927 325 L CB 2.159 44.090 42.059 -0.214 0.000 1.423 325 L HN 0.248 nan 8.230 nan 0.000 0.426 326 T N 6.058 120.567 114.554 -0.075 0.000 2.779 326 T HA 0.736 5.087 4.350 0.000 0.000 0.280 326 T C -0.739 173.946 174.700 -0.025 0.000 0.987 326 T CA -0.164 61.904 62.100 -0.053 0.000 0.966 326 T CB 0.959 69.804 68.868 -0.039 0.000 0.933 326 T HN 0.608 nan 8.240 nan 0.000 0.442 327 I N 1.555 122.123 120.570 -0.003 0.000 2.802 327 I HA 0.605 4.776 4.170 0.000 0.000 0.298 327 I C -1.028 175.197 176.117 0.180 0.000 1.176 327 I CA -0.425 60.931 61.300 0.092 0.000 1.025 327 I CB 2.098 40.132 38.000 0.057 0.000 1.243 327 I HN 0.528 nan 8.210 nan 0.000 0.424 328 S N 5.830 121.667 115.700 0.228 0.000 2.513 328 S HA 0.869 5.339 4.470 0.000 0.000 0.299 328 S C -1.213 173.586 174.600 0.332 0.000 1.087 328 S CA -0.419 57.860 58.200 0.131 0.000 1.012 328 S CB 1.630 64.861 63.200 0.052 0.000 1.044 328 S HN 0.480 nan 8.310 nan 0.000 0.485 329 F N -0.188 119.859 119.950 0.160 0.000 2.773 329 F HA 0.567 5.094 4.527 0.000 0.000 0.314 329 F C -0.875 174.988 175.800 0.104 0.000 1.160 329 F CA -1.311 56.814 58.000 0.208 0.000 0.920 329 F CB 0.583 39.818 39.000 0.392 0.000 1.323 329 F HN 0.393 nan 8.300 nan 0.000 0.457 330 N N 3.349 122.195 118.700 0.243 0.000 2.431 330 N HA 0.273 5.013 4.740 0.000 0.000 0.265 330 N C -1.615 173.950 175.510 0.091 0.000 1.184 330 N CA -2.395 50.621 53.050 -0.057 0.000 0.943 330 N CB 0.942 39.122 38.487 -0.511 0.000 1.080 330 N HN 0.449 nan 8.380 nan 0.000 0.477 331 P HA -0.085 nan 4.420 nan 0.000 0.220 331 P C 0.965 178.335 177.300 0.116 0.000 1.148 331 P CA 1.088 64.251 63.100 0.105 0.000 0.803 331 P CB 0.211 31.892 31.700 -0.033 0.000 0.782 332 T N -0.506 114.048 114.554 -0.001 0.000 2.759 332 T HA -0.179 4.171 4.350 0.000 0.000 0.269 332 T C 1.607 176.420 174.700 0.188 0.000 1.042 332 T CA 1.424 63.541 62.100 0.029 0.000 1.140 332 T CB -0.833 68.000 68.868 -0.057 0.000 0.864 332 T HN 0.035 nan 8.240 nan 0.000 0.455 333 Y N 0.652 121.049 120.300 0.161 0.000 2.181 333 Y HA 0.053 4.603 4.550 0.000 0.000 0.288 333 Y C 2.168 178.160 175.900 0.154 0.000 1.146 333 Y CA -0.333 57.864 58.100 0.162 0.000 1.164 333 Y CB -1.166 37.382 38.460 0.148 0.000 0.982 333 Y HN 0.129 nan 8.280 nan 0.000 0.515 334 L N 0.108 121.542 121.223 0.352 0.000 2.056 334 L HA -0.137 4.204 4.340 0.000 0.000 0.207 334 L C 2.081 179.046 176.870 0.160 0.000 1.078 334 L CA 1.466 56.453 54.840 0.244 0.000 0.749 334 L CB -0.988 41.274 42.059 0.338 0.000 0.901 334 L HN 0.140 nan 8.230 nan 0.000 0.433 335 I N -0.285 120.372 120.570 0.145 0.000 2.179 335 I HA -0.292 3.878 4.170 0.000 0.000 0.242 335 I C 2.015 178.153 176.117 0.036 0.000 1.088 335 I CA 1.431 62.774 61.300 0.072 0.000 1.357 335 I CB -0.559 37.473 38.000 0.053 0.000 1.051 335 I HN 0.245 nan 8.210 nan 0.000 0.409 336 D N 0.434 120.872 120.400 0.064 0.000 2.149 336 D HA -0.145 4.496 4.640 0.000 0.000 0.198 336 D C 2.376 178.608 176.300 -0.114 0.000 0.990 336 D CA 1.273 55.224 54.000 -0.082 0.000 0.839 336 D CB -0.270 40.587 40.800 0.095 0.000 0.948 336 D HN 0.201 nan 8.370 nan 0.000 0.460 337 S N 0.194 115.974 115.700 0.134 0.000 2.368 337 S HA -0.054 4.416 4.470 0.000 0.000 0.225 337 S C 2.152 176.800 174.600 0.080 0.000 1.030 337 S CA 0.536 58.836 58.200 0.167 0.000 0.999 337 S CB -0.106 63.161 63.200 0.111 0.000 0.844 337 S HN 0.258 nan 8.310 nan 0.000 0.459 338 L N 0.853 122.099 121.223 0.039 0.000 2.072 338 L HA -0.011 4.329 4.340 0.000 0.000 0.205 338 L C 2.337 179.216 176.870 0.014 0.000 1.079 338 L CA 1.051 55.908 54.840 0.028 0.000 0.752 338 L CB -0.405 41.665 42.059 0.018 0.000 0.906 338 L HN 0.200 nan 8.230 nan 0.000 0.436 339 K N 0.302 120.679 120.400 -0.038 0.000 2.209 339 K HA -0.107 4.214 4.320 0.000 0.000 0.204 339 K C 2.043 178.605 176.600 -0.063 0.000 1.048 339 K CA 1.178 57.425 56.287 -0.068 0.000 0.940 339 K CB -0.135 32.287 32.500 -0.129 0.000 0.729 339 K HN 0.275 nan 8.250 nan 0.000 0.451 340 A N 0.911 123.701 122.820 -0.050 0.000 2.119 340 A HA 0.056 4.377 4.320 0.000 0.000 0.216 340 A C 0.851 178.569 177.584 0.222 0.000 1.152 340 A CA 0.305 52.387 52.037 0.076 0.000 0.708 340 A CB -0.162 18.995 19.000 0.262 0.000 0.805 340 A HN 0.093 nan 8.150 nan 0.000 0.460 341 L N 0.012 121.361 121.223 0.210 0.000 2.395 341 L HA 0.212 4.553 4.340 0.000 0.000 0.269 341 L C 0.551 177.496 176.870 0.125 0.000 1.133 341 L CA -0.507 54.473 54.840 0.233 0.000 0.812 341 L CB 0.606 42.757 42.059 0.154 0.000 1.125 341 L HN 0.147 nan 8.230 nan 0.000 0.452 342 N N -0.761 118.010 118.700 0.118 0.000 2.205 342 N HA 0.019 4.759 4.740 0.000 0.000 0.201 342 N C -0.243 175.304 175.510 0.061 0.000 1.128 342 N CA -0.090 53.000 53.050 0.067 0.000 0.867 342 N CB 0.478 38.993 38.487 0.047 0.000 0.996 342 N HN 0.591 nan 8.380 nan 0.000 0.503 343 S N -0.624 115.121 115.700 0.075 0.000 2.616 343 S HA 0.232 4.703 4.470 0.000 0.000 0.277 343 S C 0.992 175.623 174.600 0.051 0.000 1.234 343 S CA -0.762 57.474 58.200 0.059 0.000 1.028 343 S CB 2.310 65.548 63.200 0.063 0.000 0.988 343 S HN 0.154 nan 8.310 nan 0.000 0.522 344 E N 0.776 121.001 120.200 0.042 0.000 2.268 344 E HA -0.040 4.310 4.350 0.000 0.000 0.195 344 E C -0.059 176.571 176.600 0.050 0.000 0.995 344 E CA 0.796 57.220 56.400 0.041 0.000 0.836 344 E CB 0.158 29.878 29.700 0.033 0.000 0.763 344 E HN 0.526 nan 8.360 nan 0.000 0.491 345 K N -0.030 120.400 120.400 0.050 0.000 2.443 345 K HA 0.455 4.775 4.320 0.000 0.000 0.251 345 K C -1.511 175.124 176.600 0.058 0.000 0.972 345 K CA -0.716 55.606 56.287 0.059 0.000 0.833 345 K CB 2.924 35.448 32.500 0.040 0.000 1.317 345 K HN -0.124 nan 8.250 nan 0.000 0.441 346 V N 0.856 120.820 119.914 0.083 0.000 2.789 346 V HA 0.491 4.611 4.120 0.000 0.000 0.311 346 V C -1.411 174.726 176.094 0.072 0.000 1.073 346 V CA -0.221 62.122 62.300 0.071 0.000 0.921 346 V CB 2.300 34.177 31.823 0.090 0.000 1.009 346 V HN 0.793 nan 8.190 nan 0.000 0.426 347 T N 7.727 122.282 114.554 0.002 0.000 2.792 347 T HA 0.629 4.979 4.350 0.000 0.000 0.280 347 T C -0.527 174.120 174.700 -0.088 0.000 0.990 347 T CA -0.118 61.957 62.100 -0.042 0.000 0.960 347 T CB 0.774 69.592 68.868 -0.083 0.000 0.939 347 T HN 0.522 nan 8.240 nan 0.000 0.439 348 I N 2.586 123.108 120.570 -0.079 0.000 2.433 348 I HA 0.466 4.636 4.170 0.000 0.000 0.292 348 I C -0.081 175.766 176.117 -0.450 0.000 1.001 348 I CA -0.746 60.423 61.300 -0.219 0.000 1.119 348 I CB 1.929 39.893 38.000 -0.059 0.000 1.289 348 I HN 0.495 nan 8.210 nan 0.000 0.438 349 S N 5.791 121.077 115.700 -0.689 0.000 2.561 349 S HA 0.701 5.171 4.470 0.000 0.000 0.303 349 S C -0.787 173.488 174.600 -0.542 0.000 1.110 349 S CA -0.546 57.227 58.200 -0.711 0.000 1.034 349 S CB 1.147 63.567 63.200 -1.300 0.000 1.010 349 S HN 0.297 nan 8.310 nan 0.000 0.482 350 F N 0.575 120.614 119.950 0.148 0.000 2.538 350 F HA 0.542 5.069 4.527 0.000 0.000 0.325 350 F C 1.165 177.184 175.800 0.365 0.000 1.066 350 F CA -1.008 57.155 58.000 0.271 0.000 0.946 350 F CB 1.077 40.121 39.000 0.074 0.000 1.199 350 F HN 0.392 nan 8.300 nan 0.000 0.473 351 I N -1.037 119.804 120.570 0.452 0.000 2.947 351 I HA 0.203 4.373 4.170 0.000 0.000 0.263 351 I C 0.632 176.860 176.117 0.185 0.000 1.130 351 I CA 0.616 62.055 61.300 0.232 0.000 1.448 351 I CB -0.093 37.956 38.000 0.082 0.000 1.222 351 I HN 0.707 nan 8.210 nan 0.000 0.453 352 S N -0.653 115.169 115.700 0.203 0.000 2.643 352 S HA 0.742 5.212 4.470 0.000 0.000 0.270 352 S C 0.623 175.322 174.600 0.165 0.000 1.166 352 S CA 0.036 58.321 58.200 0.142 0.000 0.815 352 S CB 1.194 64.454 63.200 0.099 0.000 1.139 352 S HN 0.625 nan 8.310 nan 0.000 0.472 353 A N 0.212 123.101 122.820 0.114 0.000 2.172 353 A HA 0.233 4.553 4.320 0.000 0.000 0.216 353 A C 1.570 179.251 177.584 0.162 0.000 1.154 353 A CA 1.487 53.599 52.037 0.125 0.000 0.701 353 A CB -0.980 18.066 19.000 0.077 0.000 0.789 353 A HN 1.645 nan 8.150 nan 0.000 0.465 354 V N -4.666 115.336 119.914 0.145 0.000 3.477 354 V HA 0.399 4.519 4.120 0.000 0.000 0.297 354 V C 0.454 176.630 176.094 0.136 0.000 1.433 354 V CA -0.451 61.929 62.300 0.133 0.000 1.052 354 V CB -0.466 31.412 31.823 0.091 0.000 0.895 354 V HN 0.336 nan 8.190 nan 0.000 0.438 355 R N 1.030 121.627 120.500 0.162 0.000 2.787 355 R HA 0.587 4.927 4.340 0.000 0.000 0.271 355 R C -2.775 173.647 176.300 0.204 0.000 0.993 355 R CA -2.182 54.003 56.100 0.142 0.000 0.993 355 R CB 1.497 31.860 30.300 0.104 0.000 1.155 355 R HN 0.125 nan 8.270 nan 0.000 0.486 356 P HA -0.025 nan 4.420 nan 0.000 0.268 356 P C -1.067 176.333 177.300 0.167 0.000 1.208 356 P CA 0.244 63.383 63.100 0.065 0.000 0.777 356 P CB 0.321 32.004 31.700 -0.027 0.000 0.875 357 F N -1.643 118.318 119.950 0.018 0.000 2.593 357 F HA 0.787 5.314 4.527 0.001 0.000 0.320 357 F C -0.180 175.513 175.800 -0.178 0.000 1.060 357 F CA -1.055 56.892 58.000 -0.089 0.000 0.940 357 F CB 0.895 39.719 39.000 -0.292 0.000 1.268 357 F HN 0.254 nan 8.300 nan 0.000 0.475 358 T N 0.522 115.029 114.554 -0.078 0.000 2.925 358 T HA 0.813 5.164 4.350 0.000 0.000 0.285 358 T C -1.119 173.457 174.700 -0.207 0.000 1.021 358 T CA -0.741 61.253 62.100 -0.176 0.000 1.042 358 T CB 1.730 70.499 68.868 -0.165 0.000 1.037 358 T HN 0.660 nan 8.240 nan 0.000 0.481 359 L N 2.098 123.198 121.223 -0.205 0.000 2.409 359 L HA 0.738 5.078 4.340 0.000 0.000 0.272 359 L C -0.417 176.303 176.870 -0.249 0.000 0.980 359 L CA -0.852 53.876 54.840 -0.186 0.000 0.826 359 L CB 2.212 44.185 42.059 -0.144 0.000 1.268 359 L HN 0.871 nan 8.230 nan 0.000 0.407 360 V N 0.601 120.390 119.914 -0.209 0.000 3.007 360 V HA 0.823 4.943 4.120 0.000 0.000 0.311 360 V C -2.730 173.284 176.094 -0.133 0.000 1.120 360 V CA -2.338 59.832 62.300 -0.218 0.000 0.980 360 V CB 2.137 33.864 31.823 -0.159 0.000 1.033 360 V HN 0.540 nan 8.190 nan 0.000 0.429 361 P HA 0.351 nan 4.420 nan 0.000 0.271 361 P C -0.205 177.092 177.300 -0.006 0.000 1.220 361 P CA 0.411 63.509 63.100 -0.004 0.000 0.768 361 P CB 1.019 32.766 31.700 0.078 0.000 0.848 362 A N 2.284 125.105 122.820 0.001 0.000 2.340 362 A HA 0.475 4.795 4.320 0.000 0.000 0.268 362 A C 0.974 178.561 177.584 0.005 0.000 1.100 362 A CA 0.492 52.525 52.037 -0.006 0.000 0.803 362 A CB -1.184 17.813 19.000 -0.005 0.000 1.043 362 A HN 0.793 nan 8.150 nan 0.000 0.488 363 D N 0.317 120.716 120.400 -0.002 0.000 2.697 363 D HA 0.085 4.725 4.640 0.000 0.000 0.238 363 D C 0.197 176.504 176.300 0.012 0.000 1.152 363 D CA 1.472 55.474 54.000 0.004 0.000 0.666 363 D CB -2.339 38.464 40.800 0.004 0.000 1.037 363 D HN 1.233 nan 8.370 nan 0.000 0.423 364 T N -2.206 112.357 114.554 0.016 0.000 2.883 364 T HA 0.565 4.916 4.350 0.000 0.000 0.301 364 T C 0.454 175.168 174.700 0.023 0.000 1.158 364 T CA -0.016 62.099 62.100 0.025 0.000 1.007 364 T CB 2.060 70.953 68.868 0.042 0.000 1.186 364 T HN 0.168 nan 8.240 nan 0.000 0.499 365 D N 0.091 120.505 120.400 0.024 0.000 2.352 365 D HA 0.052 4.693 4.640 0.000 0.000 0.232 365 D C 0.444 176.762 176.300 0.030 0.000 1.055 365 D CA 0.194 54.207 54.000 0.021 0.000 0.891 365 D CB 0.188 40.998 40.800 0.015 0.000 0.897 365 D HN 0.526 nan 8.370 nan 0.000 0.529 366 E N 1.233 121.462 120.200 0.049 0.000 2.167 366 E HA 0.068 4.418 4.350 0.000 0.000 0.284 366 E C -0.988 175.670 176.600 0.095 0.000 1.016 366 E CA -0.425 56.021 56.400 0.076 0.000 0.817 366 E CB 0.836 30.604 29.700 0.114 0.000 1.080 366 E HN -0.037 nan 8.360 nan 0.000 0.397 367 D N 5.241 125.691 120.400 0.083 0.000 2.631 367 D HA 0.106 4.746 4.640 0.000 0.000 0.227 367 D C -1.318 175.074 176.300 0.153 0.000 1.146 367 D CA -0.084 53.963 54.000 0.078 0.000 1.009 367 D CB -0.447 40.374 40.800 0.035 0.000 1.057 367 D HN 0.219 nan 8.370 nan 0.000 0.509 371 L N 1.632 122.728 121.223 -0.213 0.000 2.493 371 L HA 0.771 5.111 4.340 0.000 0.000 0.265 371 L C -1.853 174.799 176.870 -0.363 0.000 0.954 371 L CA -0.258 54.423 54.840 -0.265 0.000 0.844 371 L CB 1.639 43.597 42.059 -0.168 0.000 1.302 371 L HN 0.653 nan 8.230 nan 0.000 0.405 372 I N 2.353 122.549 120.570 -0.622 0.000 2.533 372 I HA 0.435 4.605 4.170 0.000 0.000 0.290 372 I C -0.059 175.753 176.117 -0.507 0.000 1.056 372 I CA -0.457 60.472 61.300 -0.618 0.000 1.057 372 I CB 2.748 40.244 38.000 -0.839 0.000 1.240 372 I HN 0.581 nan 8.210 nan 0.000 0.423 373 T N 7.184 121.654 114.554 -0.140 0.000 2.743 373 T HA 0.321 4.671 4.350 0.000 0.000 0.293 373 T C -2.185 172.643 174.700 0.212 0.000 0.945 373 T CA -1.020 61.101 62.100 0.035 0.000 1.030 373 T CB 0.738 69.638 68.868 0.054 0.000 0.912 373 T HN 0.367 nan 8.240 nan 0.000 0.483 374 P HA 0.413 nan 4.420 nan 0.000 0.289 374 P C -0.964 176.513 177.300 0.295 0.000 1.299 374 P CA -0.517 62.837 63.100 0.422 0.000 0.766 374 P CB 0.728 32.711 31.700 0.471 0.000 1.226 375 V N 0.144 120.217 119.914 0.264 0.000 2.540 375 V HA 0.339 4.459 4.120 0.000 0.000 0.302 375 V C 1.144 177.321 176.094 0.138 0.000 1.035 375 V CA -0.871 61.536 62.300 0.179 0.000 0.873 375 V CB 1.430 33.341 31.823 0.148 0.000 0.992 375 V HN 0.492 nan 8.190 nan 0.000 0.428 376 R N 0.000 120.565 120.500 0.109 0.000 2.786 376 R HA 0.000 4.340 4.340 0.000 0.000 0.208 376 R CA 0.000 56.150 56.100 0.083 0.000 0.921 376 R CB 0.000 30.340 30.300 0.066 0.000 0.687 376 R HN 0.000 nan 8.270 nan 0.000 0.535