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 1rld_1_B DATA FIRST_RESID 22 DATA SEQUENCE LTYYTPEYQT KDTDILAAFR VTPQPGVPPE EAGAAVAAES STXXXXXVWT DATA SEQUENCE DGLTSLDRYK GRCYRIERVV GEKDQYIAYV AYPLDLFEEG SVTNMFTSIV DATA SEQUENCE GNVFGFKALR ALRLEDLRIP PAYVKTFQGP PHGIQVERDK LNKYGRPLLG DATA SEQUENCE cTIKPKLGLS AKNYGRAVYE cLRGGLDFTK DDENVNSQPF MRWRDRFLFC DATA SEQUENCE AEALYKAEAE TGEIKGHYLN ATAGTCEEMI KRAVFARELG VPIVMHDYLT DATA SEQUENCE GGFTANTSLA HYCRDNGLLL HIHRAMHAVI DRQKNHGIHF RVLAKALRMS DATA SEQUENCE GGDHIHSGTV VGKLEGERDI TLGFVDLLRD DFVEQDRSRG IYFTQDWVSL DATA SEQUENCE PGVLPVASGG IHVWHMPALT EIFGDDSVLQ FGGGTLGHPW GNAPGAVANR DATA SEQUENCE VALEACVKAR NEGRDLAQEG NEIIREAcKW SPELAAAcEV WKEIVF 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 22 L HA 0.000 nan 4.340 nan 0.000 0.249 22 L C 0.000 176.935 176.870 0.108 0.000 1.165 22 L CA 0.000 54.929 54.840 0.149 0.000 0.813 22 L CB 0.000 42.140 42.059 0.135 0.000 0.961 23 T N -1.017 113.586 114.554 0.082 0.000 3.144 23 T HA 0.263 4.620 4.350 0.011 0.000 0.290 23 T C 0.605 175.145 174.700 -0.267 0.000 0.966 23 T CA 0.287 62.328 62.100 -0.098 0.000 0.907 23 T CB 0.022 68.796 68.868 -0.158 0.000 1.152 23 T HN 0.305 nan 8.240 nan 0.000 0.532 24 Y N -0.122 120.180 120.300 0.004 0.000 2.471 24 Y HA 0.410 4.966 4.550 0.011 0.000 0.249 24 Y C 0.095 176.015 175.900 0.035 0.000 1.116 24 Y CA -1.329 56.760 58.100 -0.018 0.000 1.240 24 Y CB 0.659 39.102 38.460 -0.028 0.000 1.251 24 Y HN 0.262 nan 8.280 nan 0.000 0.527 25 Y N 2.602 122.956 120.300 0.091 0.000 2.404 25 Y HA 0.435 4.991 4.550 0.011 0.000 0.344 25 Y C -0.134 175.801 175.900 0.058 0.000 0.970 25 Y CA -1.379 56.758 58.100 0.061 0.000 1.180 25 Y CB 0.520 39.004 38.460 0.039 0.000 1.138 25 Y HN 0.035 nan 8.280 nan 0.000 0.510 26 T N 6.860 121.140 114.554 -0.457 0.000 3.064 26 T HA 0.280 4.637 4.350 0.011 0.000 0.367 26 T C -2.176 172.334 174.700 -0.318 0.000 1.202 26 T CA -1.963 59.931 62.100 -0.343 0.000 1.133 26 T CB 1.475 70.290 68.868 -0.089 0.000 1.074 26 T HN 0.478 nan 8.240 nan 0.000 0.519 27 P HA -0.161 nan 4.420 nan 0.000 0.218 27 P C 1.149 178.424 177.300 -0.042 0.000 1.149 27 P CA 1.218 64.181 63.100 -0.229 0.000 0.817 27 P CB 0.351 31.945 31.700 -0.177 0.000 0.785 28 E N -0.371 119.800 120.200 -0.047 0.000 2.489 28 E HA -0.107 4.250 4.350 0.011 0.000 0.193 28 E C 0.120 176.729 176.600 0.015 0.000 1.057 28 E CA -0.569 55.823 56.400 -0.013 0.000 0.866 28 E CB -1.190 28.498 29.700 -0.020 0.000 0.916 28 E HN 0.256 nan 8.360 nan 0.000 0.500 29 Y N 2.409 122.667 120.300 -0.070 0.000 2.359 29 Y HA 0.185 4.742 4.550 0.011 0.000 0.330 29 Y C -0.133 175.682 175.900 -0.142 0.000 1.143 29 Y CA -0.470 57.575 58.100 -0.092 0.000 1.318 29 Y CB 0.627 39.049 38.460 -0.063 0.000 1.234 29 Y HN -0.093 nan 8.280 nan 0.000 0.522 30 Q N 4.436 123.758 119.800 -0.797 0.000 2.314 30 Q HA 0.279 4.625 4.340 0.011 0.000 0.259 30 Q C -0.165 175.072 176.000 -1.271 0.000 0.951 30 Q CA -0.824 54.538 55.803 -0.734 0.000 0.909 30 Q CB 1.045 29.546 28.738 -0.394 0.000 1.236 30 Q HN 0.810 nan 8.270 nan 0.000 0.444 31 T N 0.397 114.340 114.554 -1.019 0.000 2.926 31 T HA 0.224 4.581 4.350 0.011 0.000 0.307 31 T C 0.086 174.567 174.700 -0.365 0.000 1.059 31 T CA -0.628 61.026 62.100 -0.745 0.000 1.122 31 T CB 0.726 69.306 68.868 -0.481 0.000 0.972 31 T HN 0.204 nan 8.240 nan 0.000 0.545 32 K N 1.100 121.415 120.400 -0.142 0.000 2.095 32 K HA 0.265 4.591 4.320 0.011 0.000 0.252 32 K C 1.185 177.763 176.600 -0.037 0.000 0.977 32 K CA -0.799 55.460 56.287 -0.047 0.000 0.900 32 K CB 0.777 33.303 32.500 0.044 0.000 1.060 32 K HN 0.779 nan 8.250 nan 0.000 0.449 33 D N -0.606 119.780 120.400 -0.023 0.000 2.340 33 D HA -0.062 4.585 4.640 0.011 0.000 0.220 33 D C -0.535 175.770 176.300 0.007 0.000 1.039 33 D CA 0.248 54.241 54.000 -0.013 0.000 0.866 33 D CB -0.017 40.779 40.800 -0.006 0.000 0.913 33 D HN 0.468 nan 8.370 nan 0.000 0.523 34 T N -1.130 113.437 114.554 0.022 0.000 3.327 34 T HA 0.469 4.825 4.350 0.011 0.000 0.373 34 T C -0.952 173.778 174.700 0.050 0.000 1.589 34 T CA -0.844 61.279 62.100 0.039 0.000 1.497 34 T CB 0.869 69.769 68.868 0.053 0.000 1.032 34 T HN -0.207 nan 8.240 nan 0.000 0.640 35 D N 1.330 121.746 120.400 0.026 0.000 2.859 35 D HA 0.499 5.145 4.640 0.011 0.000 0.223 35 D C -0.899 175.393 176.300 -0.013 0.000 1.218 35 D CA -0.599 53.436 54.000 0.060 0.000 0.850 35 D CB 2.000 42.855 40.800 0.091 0.000 1.656 35 D HN 0.288 nan 8.370 nan 0.000 0.484 36 I N 1.431 122.017 120.570 0.026 0.000 2.331 36 I HA 0.305 4.481 4.170 0.011 0.000 0.292 36 I C -0.246 175.944 176.117 0.122 0.000 0.998 36 I CA -0.316 60.947 61.300 -0.061 0.000 1.267 36 I CB 0.935 38.761 38.000 -0.291 0.000 1.386 36 I HN 0.132 nan 8.210 nan 0.000 0.476 37 L N 5.955 127.128 121.223 -0.083 0.000 2.322 37 L HA 0.841 5.187 4.340 0.011 0.000 0.281 37 L C 0.054 176.857 176.870 -0.111 0.000 1.014 37 L CA -0.665 54.115 54.840 -0.100 0.000 0.815 37 L CB 1.522 43.281 42.059 -0.500 0.000 1.247 37 L HN 0.693 nan 8.230 nan 0.000 0.421 38 A N 2.584 125.531 122.820 0.213 0.000 2.322 38 A HA 0.919 5.246 4.320 0.011 0.000 0.327 38 A C -0.568 177.204 177.584 0.315 0.000 1.134 38 A CA -0.548 51.587 52.037 0.162 0.000 0.831 38 A CB 1.739 20.802 19.000 0.105 0.000 1.288 38 A HN 0.751 nan 8.150 nan 0.000 0.472 39 A N 0.848 123.713 122.820 0.075 0.000 2.483 39 A HA 0.654 4.981 4.320 0.011 0.000 0.308 39 A C -1.243 176.085 177.584 -0.427 0.000 1.291 39 A CA -0.302 51.585 52.037 -0.250 0.000 0.774 39 A CB -0.203 18.486 19.000 -0.518 0.000 1.134 39 A HN 0.564 nan 8.150 nan 0.000 0.471 40 F N 1.554 121.362 119.950 -0.236 0.000 2.411 40 F HA 0.388 4.921 4.527 0.011 0.000 0.355 40 F C 1.204 176.888 175.800 -0.193 0.000 1.117 40 F CA -0.156 57.728 58.000 -0.193 0.000 1.139 40 F CB 1.322 40.224 39.000 -0.162 0.000 1.120 40 F HN 0.643 nan 8.300 nan 0.000 0.493 41 R N 4.738 125.233 120.500 -0.007 0.000 2.325 41 R HA 0.398 4.744 4.340 0.011 0.000 0.323 41 R C -1.101 175.232 176.300 0.054 0.000 1.177 41 R CA -0.403 55.703 56.100 0.010 0.000 1.018 41 R CB 0.059 30.355 30.300 -0.008 0.000 1.070 41 R HN 0.556 nan 8.270 nan 0.000 0.495 42 V N 1.825 121.783 119.914 0.073 0.000 2.509 42 V HA 0.443 4.569 4.120 0.011 0.000 0.284 42 V C -0.283 175.864 176.094 0.087 0.000 1.047 42 V CA -0.340 61.997 62.300 0.062 0.000 0.952 42 V CB 1.759 33.604 31.823 0.036 0.000 0.988 42 V HN 0.653 nan 8.190 nan 0.000 0.469 43 T N 7.691 122.280 114.554 0.059 0.000 3.053 43 T HA 0.408 4.764 4.350 0.011 0.000 0.363 43 T C -2.421 172.307 174.700 0.046 0.000 1.239 43 T CA -0.826 61.301 62.100 0.045 0.000 1.071 43 T CB 0.768 69.646 68.868 0.017 0.000 1.089 43 T HN 0.793 nan 8.240 nan 0.000 0.527 44 P HA 0.030 nan 4.420 nan 0.000 0.271 44 P C -0.164 177.134 177.300 -0.003 0.000 1.233 44 P CA -0.383 62.736 63.100 0.032 0.000 0.795 44 P CB 0.739 32.471 31.700 0.053 0.000 0.936 45 Q N 1.533 121.308 119.800 -0.042 0.000 2.327 45 Q HA 0.247 4.594 4.340 0.011 0.000 0.254 45 Q C -1.973 174.008 176.000 -0.033 0.000 0.952 45 Q CA -2.024 53.746 55.803 -0.055 0.000 0.884 45 Q CB -0.347 28.333 28.738 -0.098 0.000 1.224 45 Q HN 0.296 nan 8.270 nan 0.000 0.422 46 P HA 0.010 nan 4.420 nan 0.000 0.263 46 P C 0.208 177.496 177.300 -0.019 0.000 1.195 46 P CA 1.156 64.249 63.100 -0.012 0.000 0.762 46 P CB 0.605 32.297 31.700 -0.012 0.000 0.799 47 G N 1.980 110.773 108.800 -0.011 0.000 2.259 47 G HA2 -0.210 3.756 3.960 0.011 0.000 0.217 47 G HA3 -0.210 3.756 3.960 0.011 0.000 0.217 47 G C -0.046 174.838 174.900 -0.026 0.000 1.001 47 G CA -0.143 44.947 45.100 -0.018 0.000 0.627 47 G HN 0.525 nan 8.290 nan 0.000 0.501 48 V N 3.381 123.277 119.914 -0.030 0.000 2.485 48 V HA 0.357 4.483 4.120 0.011 0.000 0.287 48 V C -1.336 174.724 176.094 -0.056 0.000 1.022 48 V CA -0.746 61.530 62.300 -0.040 0.000 1.067 48 V CB 0.842 32.641 31.823 -0.040 0.000 0.967 48 V HN 0.200 nan 8.190 nan 0.000 0.479 49 P HA 0.153 nan 4.420 nan 0.000 0.268 49 P C -2.013 175.160 177.300 -0.213 0.000 1.205 49 P CA -1.146 61.879 63.100 -0.125 0.000 0.771 49 P CB 0.202 31.836 31.700 -0.110 0.000 0.858 50 P HA -0.207 nan 4.420 nan 0.000 0.216 50 P C 1.090 178.114 177.300 -0.460 0.000 1.153 50 P CA 1.534 64.266 63.100 -0.613 0.000 0.858 50 P CB 0.041 31.042 31.700 -1.166 0.000 0.789 51 E N -0.214 119.702 120.200 -0.474 0.000 2.070 51 E HA -0.225 4.132 4.350 0.011 0.000 0.197 51 E C 2.056 178.434 176.600 -0.371 0.000 1.004 51 E CA 1.349 57.365 56.400 -0.639 0.000 0.805 51 E CB -0.831 28.513 29.700 -0.593 0.000 0.744 51 E HN 0.408 nan 8.360 nan 0.000 0.451 52 E N -0.269 119.806 120.200 -0.208 0.000 2.208 52 E HA -0.105 4.251 4.350 0.011 0.000 0.193 52 E C 1.889 178.458 176.600 -0.052 0.000 0.988 52 E CA 0.706 57.057 56.400 -0.082 0.000 0.828 52 E CB -0.023 29.647 29.700 -0.050 0.000 0.763 52 E HN 0.267 nan 8.360 nan 0.000 0.478 53 A N 0.685 123.448 122.820 -0.096 0.000 1.855 53 A HA -0.078 4.249 4.320 0.011 0.000 0.215 53 A C 2.407 179.951 177.584 -0.066 0.000 1.191 53 A CA 1.661 53.665 52.037 -0.055 0.000 0.613 53 A CB -1.241 17.715 19.000 -0.074 0.000 0.829 53 A HN 0.421 nan 8.150 nan 0.000 0.442 54 G N -0.582 108.155 108.800 -0.106 0.000 2.418 54 G HA2 0.010 3.976 3.960 0.011 0.000 0.217 54 G HA3 0.010 3.976 3.960 0.011 0.000 0.217 54 G C 1.738 176.630 174.900 -0.013 0.000 1.158 54 G CA 1.518 46.582 45.100 -0.060 0.000 0.771 54 G HN 0.823 nan 8.290 nan 0.000 0.545 55 A N 1.160 123.999 122.820 0.031 0.000 1.933 55 A HA 0.258 4.585 4.320 0.011 0.000 0.218 55 A C 2.811 180.370 177.584 -0.042 0.000 1.175 55 A CA 2.195 54.291 52.037 0.100 0.000 0.628 55 A CB -0.742 18.357 19.000 0.166 0.000 0.814 55 A HN 0.782 nan 8.150 nan 0.000 0.444 56 A N -0.421 122.354 122.820 -0.075 0.000 1.908 56 A HA -0.041 4.286 4.320 0.011 0.000 0.218 56 A C 2.231 179.632 177.584 -0.305 0.000 1.181 56 A CA 1.914 53.847 52.037 -0.173 0.000 0.627 56 A CB -0.994 18.041 19.000 0.058 0.000 0.818 56 A HN 0.427 nan 8.150 nan 0.000 0.445 57 V N -0.137 119.630 119.914 -0.245 0.000 2.295 57 V HA -0.252 3.875 4.120 0.011 0.000 0.246 57 V C 3.051 178.951 176.094 -0.323 0.000 1.049 57 V CA 1.992 64.071 62.300 -0.368 0.000 1.024 57 V CB -1.374 30.174 31.823 -0.459 0.000 0.648 57 V HN 0.625 nan 8.190 nan 0.000 0.447 58 A N 0.214 122.898 122.820 -0.227 0.000 1.877 58 A HA -0.123 4.203 4.320 0.011 0.000 0.216 58 A C 2.437 179.824 177.584 -0.329 0.000 1.186 58 A CA 2.081 54.012 52.037 -0.176 0.000 0.620 58 A CB -0.921 18.066 19.000 -0.022 0.000 0.822 58 A HN 0.603 nan 8.150 nan 0.000 0.443 59 A N -0.317 122.091 122.820 -0.687 0.000 2.032 59 A HA -0.104 4.222 4.320 0.011 0.000 0.221 59 A C 1.047 178.218 177.584 -0.688 0.000 1.165 59 A CA 1.477 52.714 52.037 -1.333 0.000 0.645 59 A CB -0.413 17.912 19.000 -1.124 0.000 0.807 59 A HN 0.473 nan 8.150 nan 0.000 0.453 60 E N 0.392 120.327 120.200 -0.442 0.000 1.858 60 E HA 0.318 4.674 4.350 0.011 0.000 0.278 60 E C 0.349 176.887 176.600 -0.103 0.000 1.172 60 E CA 0.400 56.638 56.400 -0.269 0.000 1.127 60 E CB -0.027 29.524 29.700 -0.247 0.000 1.084 60 E HN 0.381 nan 8.360 nan 0.000 0.455 61 S N -0.922 114.716 115.700 -0.104 0.000 2.462 61 S HA 0.120 4.597 4.470 0.011 0.000 0.269 61 S C -0.098 174.511 174.600 0.015 0.000 1.005 61 S CA -0.095 58.117 58.200 0.018 0.000 1.260 61 S CB 0.536 63.812 63.200 0.126 0.000 0.990 61 S HN 0.335 nan 8.310 nan 0.000 0.477 62 S N 0.298 115.989 115.700 -0.016 0.000 2.661 62 S HA 0.844 5.320 4.470 0.011 0.000 0.268 62 S C -1.174 173.439 174.600 0.021 0.000 1.162 62 S CA -0.732 57.494 58.200 0.043 0.000 0.817 62 S CB 1.938 65.233 63.200 0.158 0.000 1.141 62 S HN 0.247 nan 8.310 nan 0.000 0.477 70 W N -0.532 120.776 121.300 0.014 0.000 4.476 70 W HA -0.311 4.356 4.660 0.011 0.000 0.234 70 W C 1.196 177.720 176.519 0.009 0.000 3.470 70 W CA 1.363 58.714 57.345 0.010 0.000 1.141 70 W CB -1.292 28.172 29.460 0.007 0.000 2.109 70 W HN 0.946 nan 8.180 nan 0.000 0.353 71 T N 1.746 115.641 114.554 -1.099 0.000 2.849 71 T HA -0.169 4.188 4.350 0.011 0.000 0.270 71 T C 0.685 175.061 174.700 -0.540 0.000 1.066 71 T CA 2.133 63.379 62.100 -1.423 0.000 1.130 71 T CB -0.874 67.234 68.868 -1.266 0.000 0.864 71 T HN 0.311 nan 8.240 nan 0.000 0.481 72 D N 1.656 121.875 120.400 -0.301 0.000 2.346 72 D HA -0.107 4.539 4.640 0.011 0.000 0.202 72 D C 1.960 178.217 176.300 -0.071 0.000 1.007 72 D CA 1.387 55.313 54.000 -0.124 0.000 0.923 72 D CB -0.622 40.150 40.800 -0.047 0.000 0.891 72 D HN 0.595 nan 8.370 nan 0.000 0.460 73 G N -0.880 107.885 108.800 -0.059 0.000 3.026 73 G HA2 0.068 4.035 3.960 0.011 0.000 0.208 73 G HA3 0.068 4.035 3.960 0.011 0.000 0.208 73 G C 0.725 175.608 174.900 -0.028 0.000 1.169 73 G CA -0.066 45.030 45.100 -0.008 0.000 0.788 73 G HN 0.152 nan 8.290 nan 0.000 0.533 74 L N 0.227 121.400 121.223 -0.083 0.000 2.910 74 L HA 0.408 4.754 4.340 0.011 0.000 0.252 74 L C 0.742 177.583 176.870 -0.048 0.000 1.195 74 L CA 0.205 55.002 54.840 -0.072 0.000 1.003 74 L CB 0.551 42.531 42.059 -0.132 0.000 1.328 74 L HN 0.145 nan 8.230 nan 0.000 0.540 75 T N -2.578 111.960 114.554 -0.026 0.000 2.665 75 T HA 0.511 4.868 4.350 0.011 0.000 0.303 75 T C -1.141 173.573 174.700 0.025 0.000 1.334 75 T CA -0.391 61.725 62.100 0.026 0.000 1.011 75 T CB 1.413 70.315 68.868 0.057 0.000 1.573 75 T HN -0.221 nan 8.240 nan 0.000 0.492 76 S N 1.849 117.576 115.700 0.043 0.000 2.669 76 S HA 0.367 4.844 4.470 0.011 0.000 0.315 76 S C 0.751 175.355 174.600 0.007 0.000 1.106 76 S CA -0.520 57.678 58.200 -0.004 0.000 1.107 76 S CB 1.096 64.271 63.200 -0.042 0.000 0.990 76 S HN 0.610 nan 8.310 nan 0.000 0.471 77 L N 3.364 124.600 121.223 0.021 0.000 2.265 77 L HA -0.049 4.297 4.340 0.011 0.000 0.215 77 L C 1.763 178.612 176.870 -0.036 0.000 1.117 77 L CA 1.625 56.495 54.840 0.050 0.000 0.782 77 L CB -0.335 41.743 42.059 0.031 0.000 0.914 77 L HN 0.621 nan 8.230 nan 0.000 0.441 78 D N -0.761 119.582 120.400 -0.096 0.000 2.271 78 D HA -0.206 4.440 4.640 0.011 0.000 0.207 78 D C 2.127 178.306 176.300 -0.202 0.000 0.983 78 D CA 1.119 55.029 54.000 -0.149 0.000 0.878 78 D CB 0.134 40.859 40.800 -0.125 0.000 0.920 78 D HN 0.309 nan 8.370 nan 0.000 0.479 79 R N -1.354 118.967 120.500 -0.297 0.000 2.254 79 R HA 0.030 4.377 4.340 0.011 0.000 0.195 79 R C 0.389 176.293 176.300 -0.659 0.000 0.957 79 R CA 0.351 56.141 56.100 -0.518 0.000 1.024 79 R CB 0.347 30.185 30.300 -0.771 0.000 0.952 79 R HN 0.279 nan 8.270 nan 0.000 0.484 80 Y N 1.097 121.378 120.300 -0.032 0.000 2.699 80 Y HA 0.219 4.775 4.550 0.011 0.000 0.282 80 Y C -0.395 175.516 175.900 0.018 0.000 1.058 80 Y CA -0.858 57.232 58.100 -0.016 0.000 1.194 80 Y CB 0.157 38.599 38.460 -0.030 0.000 1.193 80 Y HN -0.130 nan 8.280 nan 0.000 0.562 81 K N -1.132 119.320 120.400 0.088 0.000 2.318 81 K HA 0.815 5.142 4.320 0.011 0.000 0.249 81 K C 0.207 176.855 176.600 0.081 0.000 0.942 81 K CA -1.182 55.196 56.287 0.152 0.000 0.808 81 K CB 1.724 34.275 32.500 0.085 0.000 1.189 81 K HN 0.111 nan 8.250 nan 0.000 0.428 82 G N 2.184 111.063 108.800 0.131 0.000 2.380 82 G HA2 0.250 4.216 3.960 0.011 0.000 0.262 82 G HA3 0.250 4.216 3.960 0.011 0.000 0.262 82 G C -0.596 174.288 174.900 -0.027 0.000 1.243 82 G CA -0.793 44.251 45.100 -0.093 0.000 0.865 82 G HN 0.358 nan 8.290 nan 0.000 0.513 83 R N 1.852 122.274 120.500 -0.130 0.000 2.246 83 R HA 0.179 4.525 4.340 0.011 0.000 0.332 83 R C -0.418 175.926 176.300 0.074 0.000 0.974 83 R CA -0.979 55.079 56.100 -0.069 0.000 0.837 83 R CB 0.811 30.954 30.300 -0.261 0.000 1.145 83 R HN 0.413 nan 8.270 nan 0.000 0.467 84 C N 6.535 125.896 119.300 0.102 0.000 2.645 84 C HA 0.120 4.587 4.460 0.011 0.000 0.451 84 C C 1.683 176.767 174.990 0.156 0.000 1.018 84 C CA -0.740 58.352 59.018 0.124 0.000 1.180 84 C CB -2.022 25.844 27.740 0.210 0.000 1.563 84 C HN 0.819 nan 8.230 nan 0.000 0.551 85 Y N 2.164 122.569 120.300 0.176 0.000 2.293 85 Y HA 0.171 4.727 4.550 0.011 0.000 0.291 85 Y C 1.280 177.283 175.900 0.172 0.000 1.137 85 Y CA 0.816 58.991 58.100 0.124 0.000 1.202 85 Y CB -0.379 38.227 38.460 0.243 0.000 0.990 85 Y HN 0.526 nan 8.280 nan 0.000 0.537 86 R N 0.716 121.188 120.500 -0.048 0.000 2.725 86 R HA 0.611 4.958 4.340 0.011 0.000 0.277 86 R C -2.007 174.459 176.300 0.277 0.000 0.987 86 R CA -0.888 55.322 56.100 0.182 0.000 0.901 86 R CB 1.702 32.065 30.300 0.105 0.000 1.207 86 R HN 0.246 nan 8.270 nan 0.000 0.463 87 I N 2.740 123.471 120.570 0.269 0.000 2.436 87 I HA 0.329 4.506 4.170 0.011 0.000 0.289 87 I C -0.352 175.889 176.117 0.207 0.000 1.010 87 I CA -0.539 60.867 61.300 0.177 0.000 1.098 87 I CB 2.160 40.151 38.000 -0.016 0.000 1.266 87 I HN 0.505 nan 8.210 nan 0.000 0.434 88 E N 4.893 125.247 120.200 0.258 0.000 2.281 88 E HA 0.508 4.865 4.350 0.011 0.000 0.262 88 E C -0.795 175.977 176.600 0.287 0.000 0.933 88 E CA -1.119 55.427 56.400 0.244 0.000 0.809 88 E CB 2.651 32.509 29.700 0.263 0.000 1.242 88 E HN 0.384 nan 8.360 nan 0.000 0.418 89 R N 1.360 121.999 120.500 0.231 0.000 2.255 89 R HA 0.273 4.620 4.340 0.011 0.000 0.326 89 R C -1.096 175.209 176.300 0.009 0.000 0.986 89 R CA -0.413 55.788 56.100 0.167 0.000 0.847 89 R CB 0.869 31.273 30.300 0.172 0.000 1.111 89 R HN 0.244 nan 8.270 nan 0.000 0.452 90 V N 7.054 126.902 119.914 -0.110 0.000 2.313 90 V HA 0.056 4.183 4.120 0.011 0.000 0.252 90 V C 0.133 176.164 176.094 -0.104 0.000 1.112 90 V CA -0.497 61.754 62.300 -0.082 0.000 0.984 90 V CB 0.586 32.352 31.823 -0.095 0.000 1.157 90 V HN 0.563 nan 8.190 nan 0.000 0.493 91 V N 3.094 122.975 119.914 -0.056 0.000 2.540 91 V HA 0.543 4.670 4.120 0.011 0.000 0.297 91 V C 1.513 177.578 176.094 -0.048 0.000 1.024 91 V CA 0.559 62.830 62.300 -0.049 0.000 1.105 91 V CB -0.228 31.581 31.823 -0.022 0.000 0.938 91 V HN 1.099 nan 8.190 nan 0.000 0.482 92 G N 3.331 112.100 108.800 -0.052 0.000 2.284 92 G HA2 -0.315 3.652 3.960 0.011 0.000 0.261 92 G HA3 -0.315 3.652 3.960 0.011 0.000 0.261 92 G C 0.532 175.408 174.900 -0.040 0.000 0.997 92 G CA 0.669 45.745 45.100 -0.040 0.000 0.621 92 G HN 0.796 nan 8.290 nan 0.000 0.534 93 E N -0.272 119.900 120.200 -0.047 0.000 2.435 93 E HA 0.359 4.716 4.350 0.011 0.000 0.195 93 E C 1.305 177.878 176.600 -0.046 0.000 1.029 93 E CA 1.050 57.427 56.400 -0.038 0.000 0.865 93 E CB 0.185 29.866 29.700 -0.032 0.000 0.833 93 E HN 0.443 nan 8.360 nan 0.000 0.510 94 K N -0.965 119.394 120.400 -0.069 0.000 5.740 94 K HA 0.009 4.335 4.320 0.011 0.000 0.782 94 K C -1.665 174.860 176.600 -0.125 0.000 0.888 94 K CA -0.463 55.779 56.287 -0.075 0.000 1.087 94 K CB -0.458 32.004 32.500 -0.064 0.000 2.105 94 K HN -0.108 nan 8.250 nan 0.000 1.063 95 D N 1.932 122.243 120.400 -0.149 0.000 2.464 95 D HA 0.406 5.053 4.640 0.011 0.000 0.243 95 D C -0.983 175.098 176.300 -0.365 0.000 1.104 95 D CA 0.019 53.855 54.000 -0.274 0.000 0.883 95 D CB 0.694 41.397 40.800 -0.162 0.000 1.050 95 D HN 0.232 nan 8.370 nan 0.000 0.524 96 Q N 1.459 120.946 119.800 -0.522 0.000 2.484 96 Q HA 0.628 4.974 4.340 0.011 0.000 0.285 96 Q C -1.176 174.403 176.000 -0.700 0.000 1.097 96 Q CA -1.041 54.517 55.803 -0.409 0.000 0.802 96 Q CB 2.431 31.066 28.738 -0.173 0.000 1.444 96 Q HN 0.346 nan 8.270 nan 0.000 0.429 97 Y N -0.117 120.180 120.300 -0.005 0.000 2.504 97 Y HA 0.396 4.953 4.550 0.011 0.000 0.344 97 Y C -0.678 175.209 175.900 -0.021 0.000 1.023 97 Y CA -1.066 57.030 58.100 -0.006 0.000 1.020 97 Y CB 1.507 39.957 38.460 -0.017 0.000 1.282 97 Y HN 0.435 nan 8.280 nan 0.000 0.454 98 I N 3.040 123.683 120.570 0.120 0.000 2.282 98 I HA 0.389 4.565 4.170 0.011 0.000 0.290 98 I C 0.262 176.293 176.117 -0.143 0.000 1.090 98 I CA -0.584 60.681 61.300 -0.058 0.000 1.231 98 I CB 0.005 37.974 38.000 -0.052 0.000 1.434 98 I HN 0.694 nan 8.210 nan 0.000 0.487 99 A N 7.033 129.794 122.820 -0.098 0.000 2.331 99 A HA 0.551 4.877 4.320 0.011 0.000 0.283 99 A C -1.119 176.375 177.584 -0.150 0.000 1.142 99 A CA -0.208 51.806 52.037 -0.039 0.000 0.812 99 A CB 0.194 19.201 19.000 0.012 0.000 1.074 99 A HN 0.515 nan 8.150 nan 0.000 0.497 100 Y N 2.062 122.326 120.300 -0.060 0.000 2.402 100 Y HA 0.421 4.978 4.550 0.011 0.000 0.332 100 Y C 0.135 175.851 175.900 -0.306 0.000 0.960 100 Y CA -0.393 57.602 58.100 -0.174 0.000 1.228 100 Y CB 1.490 39.662 38.460 -0.479 0.000 1.120 100 Y HN 0.431 nan 8.280 nan 0.000 0.491 101 V N 2.665 122.646 119.914 0.112 0.000 2.617 101 V HA 0.822 4.949 4.120 0.011 0.000 0.298 101 V C -0.016 176.123 176.094 0.075 0.000 1.048 101 V CA -0.930 61.369 62.300 -0.002 0.000 0.964 101 V CB 1.514 33.271 31.823 -0.109 0.000 1.004 101 V HN 0.780 nan 8.190 nan 0.000 0.466 102 A N 3.333 126.157 122.820 0.007 0.000 2.357 102 A HA 0.764 5.091 4.320 0.011 0.000 0.295 102 A C -1.440 176.084 177.584 -0.100 0.000 1.121 102 A CA -0.423 51.676 52.037 0.104 0.000 0.742 102 A CB 0.587 19.826 19.000 0.398 0.000 1.181 102 A HN 0.667 nan 8.150 nan 0.000 0.454 103 Y N 3.467 123.886 120.300 0.198 0.000 2.326 103 Y HA 0.441 4.998 4.550 0.012 0.000 0.337 103 Y C -2.012 174.019 175.900 0.218 0.000 1.023 103 Y CA -2.474 55.758 58.100 0.219 0.000 1.143 103 Y CB 1.173 39.862 38.460 0.380 0.000 1.183 103 Y HN 0.477 nan 8.280 nan 0.000 0.485 104 P HA -0.032 nan 4.420 nan 0.000 0.271 104 P C 0.700 178.184 177.300 0.307 0.000 1.218 104 P CA -0.253 62.976 63.100 0.215 0.000 0.780 104 P CB 1.396 33.152 31.700 0.093 0.000 0.901 105 L N 2.861 124.212 121.223 0.214 0.000 2.042 105 L HA -0.176 4.171 4.340 0.011 0.000 0.210 105 L C 1.452 178.477 176.870 0.259 0.000 1.076 105 L CA 2.019 56.987 54.840 0.214 0.000 0.749 105 L CB -1.482 40.652 42.059 0.126 0.000 0.893 105 L HN 0.241 nan 8.230 nan 0.000 0.432 106 D N -0.800 119.718 120.400 0.196 0.000 2.393 106 D HA -0.184 4.463 4.640 0.011 0.000 0.220 106 D C 2.080 178.455 176.300 0.124 0.000 0.974 106 D CA 0.929 55.046 54.000 0.195 0.000 0.931 106 D CB -0.128 40.848 40.800 0.293 0.000 0.889 106 D HN 0.396 nan 8.370 nan 0.000 0.512 107 L N -1.291 119.934 121.223 0.004 0.000 2.375 107 L HA 0.097 4.443 4.340 0.011 0.000 0.215 107 L C 0.162 176.733 176.870 -0.499 0.000 1.108 107 L CA 0.174 54.819 54.840 -0.324 0.000 0.830 107 L CB 0.039 41.682 42.059 -0.693 0.000 0.959 107 L HN -0.119 nan 8.230 nan 0.000 0.457 108 F N -0.421 119.504 119.950 -0.041 0.000 2.492 108 F HA 0.339 4.873 4.527 0.010 0.000 0.327 108 F C 0.518 176.364 175.800 0.076 0.000 1.079 108 F CA -1.184 56.797 58.000 -0.031 0.000 0.967 108 F CB 1.050 39.894 39.000 -0.260 0.000 1.169 108 F HN -0.208 nan 8.300 nan 0.000 0.472 109 E N 1.535 121.899 120.200 0.273 0.000 2.259 109 E HA 0.151 4.508 4.350 0.011 0.000 0.281 109 E C -0.893 175.852 176.600 0.242 0.000 1.037 109 E CA -0.585 55.929 56.400 0.190 0.000 0.854 109 E CB 0.568 30.332 29.700 0.106 0.000 1.051 109 E HN 0.524 nan 8.360 nan 0.000 0.409 110 E N 2.589 122.878 120.200 0.148 0.000 2.493 110 E HA 0.166 4.523 4.350 0.011 0.000 0.255 110 E C 0.711 177.120 176.600 -0.317 0.000 0.999 110 E CA 1.222 57.624 56.400 0.004 0.000 0.934 110 E CB 0.533 30.220 29.700 -0.022 0.000 0.940 110 E HN 0.800 nan 8.360 nan 0.000 0.473 111 G N 2.665 110.901 108.800 -0.940 0.000 2.160 111 G HA2 -0.291 3.675 3.960 0.011 0.000 0.244 111 G HA3 -0.291 3.675 3.960 0.011 0.000 0.244 111 G C 0.151 174.615 174.900 -0.726 0.000 1.022 111 G CA 0.261 44.471 45.100 -1.484 0.000 0.741 111 G HN 0.502 nan 8.290 nan 0.000 0.508 112 S N -0.723 114.797 115.700 -0.300 0.000 2.718 112 S HA 0.510 4.986 4.470 0.011 0.000 0.294 112 S C 1.390 176.118 174.600 0.213 0.000 1.157 112 S CA 0.097 58.327 58.200 0.050 0.000 1.121 112 S CB 1.323 64.560 63.200 0.061 0.000 1.015 112 S HN 0.580 nan 8.310 nan 0.000 0.479 113 V N 4.421 124.420 119.914 0.142 0.000 2.427 113 V HA -0.112 4.015 4.120 0.011 0.000 0.248 113 V C 2.541 178.462 176.094 -0.289 0.000 1.051 113 V CA 2.322 64.487 62.300 -0.224 0.000 1.048 113 V CB -0.889 30.508 31.823 -0.709 0.000 0.666 113 V HN 0.818 nan 8.190 nan 0.000 0.456 114 T N -0.121 114.385 114.554 -0.079 0.000 2.737 114 T HA -0.248 4.109 4.350 0.011 0.000 0.269 114 T C 1.850 176.618 174.700 0.113 0.000 1.040 114 T CA 1.973 64.109 62.100 0.060 0.000 1.142 114 T CB -0.434 68.497 68.868 0.106 0.000 0.861 114 T HN 0.595 nan 8.240 nan 0.000 0.456 115 N N 0.244 119.025 118.700 0.135 0.000 2.207 115 N HA -0.011 4.736 4.740 0.011 0.000 0.182 115 N C 2.127 177.801 175.510 0.274 0.000 1.020 115 N CA 0.760 53.916 53.050 0.176 0.000 0.858 115 N CB -0.153 38.446 38.487 0.186 0.000 0.991 115 N HN 0.343 nan 8.380 nan 0.000 0.427 116 M N 0.026 119.860 119.600 0.391 0.000 2.108 116 M HA -0.175 4.312 4.480 0.011 0.000 0.261 116 M C 1.316 177.890 176.300 0.456 0.000 1.066 116 M CA 1.515 57.121 55.300 0.511 0.000 1.107 116 M CB -0.165 32.671 32.600 0.394 0.000 1.356 116 M HN 0.068 nan 8.290 nan 0.000 0.406 117 F N 0.757 120.739 119.950 0.053 0.000 2.113 117 F HA -0.114 4.420 4.527 0.012 0.000 0.297 117 F C 2.612 178.439 175.800 0.045 0.000 1.103 117 F CA 1.735 59.750 58.000 0.025 0.000 1.248 117 F CB -1.579 37.422 39.000 0.001 0.000 0.999 117 F HN 0.194 nan 8.300 nan 0.000 0.475 118 T N -0.739 113.959 114.554 0.240 0.000 2.684 118 T HA -0.190 4.167 4.350 0.011 0.000 0.267 118 T C 2.244 176.981 174.700 0.062 0.000 1.036 118 T CA 1.882 64.056 62.100 0.124 0.000 1.148 118 T CB -0.614 68.303 68.868 0.083 0.000 0.863 118 T HN 0.135 nan 8.240 nan 0.000 0.436 119 S N 0.503 116.221 115.700 0.030 0.000 2.419 119 S HA 0.047 4.523 4.470 0.011 0.000 0.233 119 S C 1.819 176.365 174.600 -0.091 0.000 1.016 119 S CA 0.798 58.945 58.200 -0.089 0.000 0.974 119 S CB -0.278 62.753 63.200 -0.282 0.000 0.786 119 S HN 0.414 nan 8.310 nan 0.000 0.492 120 I N 0.332 120.900 120.570 -0.004 0.000 3.325 120 I HA 0.015 4.192 4.170 0.011 0.000 0.237 120 I C 1.847 178.079 176.117 0.193 0.000 1.068 120 I CA 0.334 61.645 61.300 0.019 0.000 1.511 120 I CB -0.303 37.705 38.000 0.014 0.000 1.409 120 I HN 0.113 nan 8.210 nan 0.000 0.464 121 V N -0.367 119.620 119.914 0.122 0.000 3.541 121 V HA 0.135 4.262 4.120 0.011 0.000 0.272 121 V C 1.867 177.994 176.094 0.055 0.000 1.215 121 V CA 1.117 63.489 62.300 0.119 0.000 1.176 121 V CB -1.582 30.060 31.823 -0.301 0.000 0.854 121 V HN 0.469 nan 8.190 nan 0.000 0.496 122 G N 1.227 110.074 108.800 0.079 0.000 2.404 122 G HA2 -0.247 3.719 3.960 0.011 0.000 0.214 122 G HA3 -0.247 3.719 3.960 0.011 0.000 0.214 122 G C 1.384 176.329 174.900 0.075 0.000 1.189 122 G CA 1.098 46.233 45.100 0.059 0.000 0.789 122 G HN 0.591 nan 8.290 nan 0.000 0.533 123 N N -1.325 117.426 118.700 0.084 0.000 2.257 123 N HA 0.039 4.785 4.740 0.011 0.000 0.200 123 N C 2.017 177.580 175.510 0.088 0.000 1.163 123 N CA 0.451 53.543 53.050 0.068 0.000 0.891 123 N CB 0.584 39.076 38.487 0.008 0.000 1.067 123 N HN 0.069 nan 8.380 nan 0.000 0.497 124 V N 0.275 120.246 119.914 0.096 0.000 2.307 124 V HA -0.101 4.026 4.120 0.011 0.000 0.245 124 V C 1.211 177.356 176.094 0.085 0.000 1.045 124 V CA 1.292 63.586 62.300 -0.010 0.000 1.024 124 V CB -0.926 30.753 31.823 -0.240 0.000 0.651 124 V HN 0.150 nan 8.190 nan 0.000 0.449 125 F N 1.830 121.809 119.950 0.048 0.000 2.667 125 F HA 0.160 4.694 4.527 0.011 0.000 0.295 125 F C 1.766 177.691 175.800 0.208 0.000 1.185 125 F CA 1.033 59.115 58.000 0.136 0.000 1.479 125 F CB -0.864 38.153 39.000 0.028 0.000 1.116 125 F HN 0.249 nan 8.300 nan 0.000 0.606 126 G N -1.561 107.416 108.800 0.294 0.000 4.110 126 G HA2 0.086 4.053 3.960 0.011 0.000 0.292 126 G HA3 0.086 4.053 3.960 0.011 0.000 0.292 126 G C -0.481 174.544 174.900 0.208 0.000 1.020 126 G CA -0.141 45.091 45.100 0.221 0.000 0.808 126 G HN 0.074 nan 8.290 nan 0.000 0.474 127 F N 2.217 122.182 119.950 0.025 0.000 2.445 127 F HA 0.347 4.881 4.527 0.011 0.000 0.359 127 F C 1.627 177.419 175.800 -0.014 0.000 1.101 127 F CA -1.592 56.401 58.000 -0.013 0.000 1.177 127 F CB 1.472 40.440 39.000 -0.054 0.000 1.110 127 F HN 0.118 nan 8.300 nan 0.000 0.522 128 K N 4.426 124.581 120.400 -0.408 0.000 2.077 128 K HA -0.242 4.085 4.320 0.011 0.000 0.213 128 K C 1.328 177.629 176.600 -0.498 0.000 1.051 128 K CA 1.834 57.880 56.287 -0.402 0.000 0.929 128 K CB -0.238 32.065 32.500 -0.327 0.000 0.715 128 K HN 0.707 nan 8.250 nan 0.000 0.451 129 A N 1.036 123.304 122.820 -0.920 0.000 2.236 129 A HA 0.187 4.514 4.320 0.011 0.000 0.214 129 A C 0.088 177.484 177.584 -0.313 0.000 1.287 129 A CA 0.199 51.881 52.037 -0.592 0.000 0.909 129 A CB -0.322 18.287 19.000 -0.653 0.000 0.839 129 A HN 0.263 nan 8.150 nan 0.000 0.486 130 L N -1.243 119.842 121.223 -0.230 0.000 2.409 130 L HA 0.394 4.741 4.340 0.011 0.000 0.272 130 L C 1.207 178.036 176.870 -0.069 0.000 0.980 130 L CA -0.645 54.150 54.840 -0.074 0.000 0.826 130 L CB 1.963 44.030 42.059 0.014 0.000 1.268 130 L HN 0.404 nan 8.230 nan 0.000 0.407 131 R N 2.876 123.346 120.500 -0.050 0.000 2.055 131 R HA 0.271 4.618 4.340 0.011 0.000 0.228 131 R C 0.163 176.416 176.300 -0.079 0.000 1.143 131 R CA 1.259 57.322 56.100 -0.061 0.000 0.945 131 R CB 0.287 30.561 30.300 -0.044 0.000 0.841 131 R HN 0.693 nan 8.270 nan 0.000 0.429 132 A N 0.719 123.526 122.820 -0.022 0.000 2.491 132 A HA 0.449 4.775 4.320 0.011 0.000 0.293 132 A C -1.793 175.903 177.584 0.187 0.000 1.047 132 A CA -0.750 51.310 52.037 0.039 0.000 0.735 132 A CB 1.361 20.362 19.000 0.001 0.000 1.281 132 A HN 0.244 nan 8.150 nan 0.000 0.398 133 L N 1.850 123.288 121.223 0.360 0.000 2.342 133 L HA 0.914 5.260 4.340 0.011 0.000 0.271 133 L C -0.165 176.749 176.870 0.073 0.000 1.008 133 L CA -0.350 54.532 54.840 0.070 0.000 0.818 133 L CB 1.599 43.526 42.059 -0.221 0.000 1.296 133 L HN 0.788 nan 8.230 nan 0.000 0.427 134 R N 3.943 124.489 120.500 0.077 0.000 2.621 134 R HA 0.498 4.844 4.340 0.011 0.000 0.284 134 R C -1.892 174.456 176.300 0.080 0.000 0.998 134 R CA -0.912 55.288 56.100 0.166 0.000 0.895 134 R CB 1.720 32.100 30.300 0.133 0.000 1.195 134 R HN 0.713 nan 8.270 nan 0.000 0.450 135 L N 4.421 125.717 121.223 0.122 0.000 2.278 135 L HA 0.240 4.587 4.340 0.011 0.000 0.287 135 L C 0.763 177.525 176.870 -0.181 0.000 1.072 135 L CA 0.540 55.234 54.840 -0.243 0.000 0.819 135 L CB 1.115 43.042 42.059 -0.221 0.000 1.176 135 L HN 0.716 nan 8.230 nan 0.000 0.435 136 E N 2.187 122.192 120.200 -0.325 0.000 2.166 136 E HA 0.084 4.440 4.350 0.011 0.000 0.192 136 E C -0.262 176.212 176.600 -0.209 0.000 0.967 136 E CA 0.486 56.699 56.400 -0.311 0.000 0.840 136 E CB 0.474 29.742 29.700 -0.719 0.000 0.795 136 E HN 0.698 nan 8.360 nan 0.000 0.470 137 D N -1.200 119.065 120.400 -0.226 0.000 2.622 137 D HA 0.405 5.052 4.640 0.011 0.000 0.255 137 D C -1.622 174.751 176.300 0.121 0.000 1.246 137 D CA -0.490 53.521 54.000 0.019 0.000 0.795 137 D CB 1.413 42.267 40.800 0.091 0.000 1.369 137 D HN -0.153 nan 8.370 nan 0.000 0.425 138 L N 1.334 122.626 121.223 0.115 0.000 2.408 138 L HA 0.537 4.883 4.340 0.011 0.000 0.268 138 L C -0.585 176.200 176.870 -0.141 0.000 0.986 138 L CA -0.837 53.983 54.840 -0.033 0.000 0.820 138 L CB 2.099 44.125 42.059 -0.056 0.000 1.303 138 L HN 0.245 nan 8.230 nan 0.000 0.411 139 R N 4.619 124.874 120.500 -0.408 0.000 2.275 139 R HA 0.440 4.786 4.340 0.011 0.000 0.326 139 R C -0.928 175.200 176.300 -0.287 0.000 0.973 139 R CA -0.533 55.340 56.100 -0.379 0.000 0.854 139 R CB 0.697 30.675 30.300 -0.537 0.000 1.156 139 R HN 0.599 nan 8.270 nan 0.000 0.487 140 I N 8.126 128.540 120.570 -0.259 0.000 2.329 140 I HA 0.122 4.299 4.170 0.011 0.000 0.295 140 I C -1.571 174.456 176.117 -0.149 0.000 1.109 140 I CA -1.629 59.554 61.300 -0.194 0.000 1.297 140 I CB 1.056 38.898 38.000 -0.263 0.000 1.433 140 I HN 0.278 nan 8.210 nan 0.000 0.509 141 P HA 0.060 nan 4.420 nan 0.000 0.268 141 P C -2.329 174.989 177.300 0.031 0.000 1.208 141 P CA -1.129 61.954 63.100 -0.028 0.000 0.777 141 P CB 0.219 31.918 31.700 -0.002 0.000 0.875 142 P HA -0.126 nan 4.420 nan 0.000 0.218 142 P C 1.455 178.821 177.300 0.110 0.000 1.149 142 P CA 1.899 65.044 63.100 0.075 0.000 0.817 142 P CB -0.415 31.330 31.700 0.075 0.000 0.785 143 A N -2.109 120.779 122.820 0.113 0.000 2.121 143 A HA -0.196 4.130 4.320 0.011 0.000 0.218 143 A C 2.028 179.741 177.584 0.215 0.000 1.154 143 A CA 1.190 53.307 52.037 0.134 0.000 0.679 143 A CB -1.485 17.584 19.000 0.115 0.000 0.795 143 A HN 0.154 nan 8.150 nan 0.000 0.458 144 Y N -0.541 119.806 120.300 0.078 0.000 2.389 144 Y HA 0.058 4.615 4.550 0.011 0.000 0.292 144 Y C 2.262 178.336 175.900 0.291 0.000 1.117 144 Y CA 0.654 58.839 58.100 0.141 0.000 1.195 144 Y CB -0.167 38.327 38.460 0.056 0.000 1.076 144 Y HN 0.036 nan 8.280 nan 0.000 0.548 145 V N 1.045 121.072 119.914 0.188 0.000 2.380 145 V HA -0.339 3.788 4.120 0.011 0.000 0.251 145 V C 2.174 178.414 176.094 0.243 0.000 1.063 145 V CA 2.162 64.561 62.300 0.164 0.000 1.055 145 V CB -0.489 31.423 31.823 0.149 0.000 0.657 145 V HN 0.288 nan 8.190 nan 0.000 0.455 146 K N 0.299 120.798 120.400 0.166 0.000 2.442 146 K HA -0.075 4.252 4.320 0.011 0.000 0.198 146 K C 1.920 178.552 176.600 0.053 0.000 1.042 146 K CA 1.489 57.842 56.287 0.108 0.000 0.958 146 K CB -0.381 32.167 32.500 0.080 0.000 0.766 146 K HN 0.748 nan 8.250 nan 0.000 0.474 147 T N -1.945 112.611 114.554 0.004 0.000 3.129 147 T HA 0.119 4.476 4.350 0.011 0.000 0.251 147 T C 0.350 174.799 174.700 -0.419 0.000 1.117 147 T CA -0.242 61.719 62.100 -0.233 0.000 1.034 147 T CB -0.257 68.398 68.868 -0.356 0.000 0.968 147 T HN -0.159 nan 8.240 nan 0.000 0.526 148 F N 1.351 121.227 119.950 -0.123 0.000 2.469 148 F HA 0.485 5.019 4.527 0.012 0.000 0.332 148 F C 1.529 177.291 175.800 -0.062 0.000 1.103 148 F CA -1.275 56.671 58.000 -0.091 0.000 0.979 148 F CB 1.950 40.885 39.000 -0.109 0.000 1.137 148 F HN -0.104 nan 8.300 nan 0.000 0.463 149 Q N 2.495 122.360 119.800 0.109 0.000 2.046 149 Q HA 0.187 4.533 4.340 0.011 0.000 0.200 149 Q C 1.062 177.086 176.000 0.039 0.000 0.975 149 Q CA 1.498 57.309 55.803 0.013 0.000 0.836 149 Q CB -0.080 28.620 28.738 -0.064 0.000 0.896 149 Q HN 1.030 nan 8.270 nan 0.000 0.428 150 G N -0.080 108.768 108.800 0.080 0.000 2.482 150 G HA2 -0.209 3.758 3.960 0.011 0.000 0.214 150 G HA3 -0.209 3.758 3.960 0.011 0.000 0.214 150 G C -2.609 172.274 174.900 -0.029 0.000 1.271 150 G CA -0.467 44.629 45.100 -0.007 0.000 0.944 150 G HN 0.313 nan 8.290 nan 0.000 0.568 151 P HA 0.187 nan 4.420 nan 0.000 0.264 151 P C -1.536 175.716 177.300 -0.081 0.000 1.193 151 P CA -0.360 62.700 63.100 -0.067 0.000 0.763 151 P CB 0.652 32.306 31.700 -0.076 0.000 0.810 152 P HA -0.192 nan 4.420 nan 0.000 0.218 152 P C 0.357 177.250 177.300 -0.677 0.000 1.146 152 P CA 1.964 64.935 63.100 -0.214 0.000 0.813 152 P CB 0.128 31.822 31.700 -0.009 0.000 0.778 153 H N -2.462 116.594 119.070 -0.025 0.000 1.985 153 H HA 0.430 4.992 4.556 0.010 0.000 0.159 153 H C 1.006 176.325 175.328 -0.016 0.000 1.010 153 H CA 0.759 56.798 56.048 -0.016 0.000 1.075 153 H CB -0.184 29.572 29.762 -0.011 0.000 0.963 153 H HN 0.174 nan 8.280 nan 0.000 0.330 154 G N 0.742 109.601 108.800 0.098 0.000 2.746 154 G HA2 -0.213 3.753 3.960 0.011 0.000 0.685 154 G HA3 -0.213 3.753 3.960 0.011 0.000 0.685 154 G C 0.783 175.729 174.900 0.076 0.000 1.350 154 G CA -0.180 44.945 45.100 0.042 0.000 0.837 154 G HN 0.289 nan 8.290 nan 0.000 0.564 155 I N 0.118 120.723 120.570 0.059 0.000 2.091 155 I HA -0.358 3.818 4.170 0.011 0.000 0.240 155 I C 3.007 179.175 176.117 0.085 0.000 1.046 155 I CA 2.688 64.034 61.300 0.076 0.000 1.306 155 I CB -0.492 37.543 38.000 0.059 0.000 1.018 155 I HN 0.671 nan 8.210 nan 0.000 0.404 156 Q N 0.419 120.267 119.800 0.080 0.000 1.975 156 Q HA -0.164 4.183 4.340 0.011 0.000 0.205 156 Q C 2.279 178.340 176.000 0.102 0.000 0.990 156 Q CA 1.882 57.742 55.803 0.095 0.000 0.845 156 Q CB -0.795 27.992 28.738 0.082 0.000 0.913 156 Q HN 0.370 nan 8.270 nan 0.000 0.420 157 V N 0.810 120.785 119.914 0.100 0.000 2.324 157 V HA -0.315 3.812 4.120 0.011 0.000 0.250 157 V C 2.216 178.369 176.094 0.098 0.000 1.060 157 V CA 2.185 64.553 62.300 0.114 0.000 1.042 157 V CB -0.690 31.227 31.823 0.157 0.000 0.650 157 V HN 0.471 nan 8.190 nan 0.000 0.450 158 E N 0.153 120.414 120.200 0.101 0.000 2.097 158 E HA -0.273 4.084 4.350 0.011 0.000 0.196 158 E C 2.433 179.058 176.600 0.041 0.000 1.000 158 E CA 1.709 58.154 56.400 0.074 0.000 0.804 158 E CB -0.089 29.681 29.700 0.117 0.000 0.740 158 E HN 0.529 nan 8.360 nan 0.000 0.454 159 R N -0.017 120.497 120.500 0.023 0.000 2.119 159 R HA -0.070 4.277 4.340 0.011 0.000 0.222 159 R C 1.865 178.068 176.300 -0.162 0.000 1.088 159 R CA 1.181 57.215 56.100 -0.110 0.000 0.984 159 R CB -0.026 30.231 30.300 -0.072 0.000 0.884 159 R HN 0.222 nan 8.270 nan 0.000 0.447 160 D N 0.639 121.055 120.400 0.027 0.000 2.144 160 D HA -0.128 4.519 4.640 0.011 0.000 0.199 160 D C 1.745 178.062 176.300 0.028 0.000 0.984 160 D CA 1.121 55.177 54.000 0.093 0.000 0.834 160 D CB 0.074 40.950 40.800 0.126 0.000 0.955 160 D HN -0.018 nan 8.370 nan 0.000 0.465 161 K N 0.176 120.582 120.400 0.011 0.000 2.057 161 K HA 0.036 4.362 4.320 0.011 0.000 0.206 161 K C 2.165 178.757 176.600 -0.013 0.000 1.050 161 K CA 0.381 56.670 56.287 0.004 0.000 0.935 161 K CB -0.257 32.236 32.500 -0.012 0.000 0.715 161 K HN 0.260 nan 8.250 nan 0.000 0.439 162 L N 0.378 121.577 121.223 -0.040 0.000 2.509 162 L HA 0.013 4.360 4.340 0.011 0.000 0.222 162 L C 0.224 177.011 176.870 -0.138 0.000 1.123 162 L CA -0.026 54.776 54.840 -0.064 0.000 0.856 162 L CB -0.355 41.682 42.059 -0.037 0.000 0.985 162 L HN 0.270 nan 8.230 nan 0.000 0.456 163 N N 1.559 120.138 118.700 -0.202 0.000 2.727 163 N HA -0.211 4.535 4.740 0.011 0.000 0.249 163 N C -0.539 174.703 175.510 -0.446 0.000 1.048 163 N CA 0.851 53.735 53.050 -0.276 0.000 0.714 163 N CB -0.779 37.674 38.487 -0.055 0.000 0.959 163 N HN 0.318 nan 8.380 nan 0.000 0.544 164 K N 1.024 121.029 120.400 -0.658 0.000 2.323 164 K HA 0.455 4.782 4.320 0.011 0.000 0.259 164 K C -1.042 175.169 176.600 -0.649 0.000 0.947 164 K CA -0.545 55.473 56.287 -0.447 0.000 0.819 164 K CB 1.213 33.555 32.500 -0.263 0.000 1.109 164 K HN 0.102 nan 8.250 nan 0.000 0.429 165 Y N -0.737 119.565 120.300 0.003 0.000 2.581 165 Y HA 0.420 4.977 4.550 0.011 0.000 0.345 165 Y C 1.168 177.074 175.900 0.009 0.000 1.036 165 Y CA -0.434 57.672 58.100 0.011 0.000 1.042 165 Y CB 2.399 40.866 38.460 0.012 0.000 1.289 165 Y HN 0.782 nan 8.280 nan 0.000 0.471 166 G N 1.020 109.932 108.800 0.187 0.000 2.234 166 G HA2 -0.243 3.724 3.960 0.011 0.000 0.260 166 G HA3 -0.243 3.724 3.960 0.011 0.000 0.260 166 G C -0.033 174.911 174.900 0.073 0.000 0.987 166 G CA 0.441 45.605 45.100 0.108 0.000 0.625 166 G HN 0.792 nan 8.290 nan 0.000 0.532 167 R N -0.425 120.109 120.500 0.056 0.000 2.817 167 R HA 0.696 5.043 4.340 0.011 0.000 0.268 167 R C -3.170 173.150 176.300 0.033 0.000 1.027 167 R CA -2.010 54.117 56.100 0.045 0.000 0.928 167 R CB 1.290 31.610 30.300 0.034 0.000 1.228 167 R HN 0.089 nan 8.270 nan 0.000 0.469 168 P HA 0.064 nan 4.420 nan 0.000 0.269 168 P C -0.680 176.618 177.300 -0.003 0.000 1.209 168 P CA -0.198 62.910 63.100 0.013 0.000 0.776 168 P CB 0.515 32.229 31.700 0.023 0.000 0.876 169 L N 2.158 123.366 121.223 -0.025 0.000 2.439 169 L HA 0.403 4.749 4.340 0.011 0.000 0.259 169 L C 0.700 177.562 176.870 -0.014 0.000 1.129 169 L CA -0.433 54.376 54.840 -0.050 0.000 0.803 169 L CB -0.122 41.906 42.059 -0.052 0.000 1.161 169 L HN 0.218 nan 8.230 nan 0.000 0.462 170 L N 0.124 121.330 121.223 -0.029 0.000 2.354 170 L HA 0.850 5.197 4.340 0.011 0.000 0.269 170 L C 0.048 176.957 176.870 0.066 0.000 1.005 170 L CA -0.486 54.388 54.840 0.057 0.000 0.819 170 L CB 1.961 44.063 42.059 0.071 0.000 1.311 170 L HN 0.726 nan 8.230 nan 0.000 0.423 171 G N 0.273 109.139 108.800 0.109 0.000 2.619 171 G HA2 0.547 4.513 3.960 0.011 0.000 0.296 171 G HA3 0.547 4.513 3.960 0.011 0.000 0.296 171 G C -1.990 172.970 174.900 0.099 0.000 1.334 171 G CA -0.401 44.748 45.100 0.083 0.000 0.934 171 G HN 0.640 nan 8.290 nan 0.000 0.476 172 c N 0.781 119.396 118.600 0.026 0.000 2.441 172 c HA 0.825 5.402 4.570 0.011 0.000 0.318 172 c C 0.181 174.274 174.090 0.005 0.000 1.222 172 c CA -0.282 56.074 56.329 0.044 0.000 1.474 172 c CB 0.539 43.051 42.510 0.003 0.000 2.125 172 c HN 0.706 nan 8.230 nan 0.000 0.479 173 T N 7.365 121.951 114.554 0.054 0.000 2.749 173 T HA 0.395 4.752 4.350 0.011 0.000 0.287 173 T C 0.188 174.898 174.700 0.016 0.000 0.970 173 T CA -0.249 61.889 62.100 0.063 0.000 0.980 173 T CB 0.337 69.277 68.868 0.121 0.000 0.924 173 T HN 0.542 nan 8.240 nan 0.000 0.456 174 I N 4.027 124.563 120.570 -0.057 0.000 2.692 174 I HA 0.241 4.417 4.170 0.011 0.000 0.284 174 I C 0.638 176.705 176.117 -0.083 0.000 1.159 174 I CA 0.166 61.353 61.300 -0.189 0.000 1.423 174 I CB 0.079 37.703 38.000 -0.626 0.000 1.380 174 I HN 0.416 nan 8.210 nan 0.000 0.580 175 K N 6.403 126.767 120.400 -0.059 0.000 2.498 175 K HA 0.500 4.827 4.320 0.011 0.000 0.254 175 K C -2.479 174.122 176.600 0.002 0.000 0.933 175 K CA -1.410 54.884 56.287 0.012 0.000 0.806 175 K CB 2.491 35.010 32.500 0.030 0.000 1.301 175 K HN 0.329 nan 8.250 nan 0.000 0.432 176 P HA 0.147 nan 4.420 nan 0.000 0.274 176 P C 0.181 177.549 177.300 0.113 0.000 1.231 176 P CA -0.301 62.825 63.100 0.044 0.000 0.790 176 P CB 1.109 32.813 31.700 0.006 0.000 0.951 177 K N 1.829 122.306 120.400 0.128 0.000 1.963 177 K HA -0.028 4.298 4.320 0.011 0.000 0.216 177 K C 0.586 177.294 176.600 0.179 0.000 1.045 177 K CA 0.811 57.229 56.287 0.219 0.000 0.954 177 K CB -0.833 31.765 32.500 0.163 0.000 0.732 177 K HN 0.290 nan 8.250 nan 0.000 0.442 178 L N 0.865 122.099 121.223 0.019 0.000 2.290 178 L HA 0.334 4.680 4.340 0.011 0.000 0.284 178 L C 0.781 177.365 176.870 -0.478 0.000 1.078 178 L CA 0.226 54.895 54.840 -0.285 0.000 0.815 178 L CB 1.531 43.513 42.059 -0.129 0.000 1.162 178 L HN 0.822 nan 8.230 nan 0.000 0.435 179 G N 2.826 111.125 108.800 -0.834 0.000 4.018 179 G HA2 -0.002 3.965 3.960 0.011 0.000 0.195 179 G HA3 -0.002 3.965 3.960 0.011 0.000 0.195 179 G C -0.172 174.568 174.900 -0.267 0.000 1.019 179 G CA -0.576 44.253 45.100 -0.453 0.000 0.871 179 G HN 0.219 nan 8.290 nan 0.000 0.339 180 L N 2.042 123.222 121.223 -0.071 0.000 2.376 180 L HA 0.774 5.120 4.340 0.011 0.000 0.267 180 L C 1.154 178.134 176.870 0.183 0.000 1.035 180 L CA -0.257 54.624 54.840 0.068 0.000 0.800 180 L CB 0.379 42.511 42.059 0.122 0.000 1.290 180 L HN 0.499 nan 8.230 nan 0.000 0.462 181 S N -0.514 115.266 115.700 0.132 0.000 2.655 181 S HA 0.456 4.933 4.470 0.011 0.000 0.265 181 S C 1.118 175.785 174.600 0.110 0.000 1.240 181 S CA 0.005 58.276 58.200 0.119 0.000 0.986 181 S CB 1.234 64.452 63.200 0.030 0.000 0.985 181 S HN 0.735 nan 8.310 nan 0.000 0.562 182 A N 0.831 123.671 122.820 0.034 0.000 1.902 182 A HA -0.074 4.252 4.320 0.011 0.000 0.217 182 A C 2.163 179.622 177.584 -0.209 0.000 1.181 182 A CA 1.750 53.782 52.037 -0.009 0.000 0.623 182 A CB -0.908 18.096 19.000 0.007 0.000 0.818 182 A HN 0.913 nan 8.150 nan 0.000 0.443 183 K N -0.697 119.423 120.400 -0.467 0.000 2.155 183 K HA -0.124 4.203 4.320 0.011 0.000 0.203 183 K C 1.570 178.052 176.600 -0.196 0.000 1.052 183 K CA 1.185 57.096 56.287 -0.626 0.000 0.948 183 K CB -0.121 32.060 32.500 -0.532 0.000 0.728 183 K HN 0.401 nan 8.250 nan 0.000 0.448 184 N N 0.208 118.864 118.700 -0.073 0.000 2.135 184 N HA -0.165 4.582 4.740 0.011 0.000 0.186 184 N C 1.522 177.077 175.510 0.075 0.000 1.027 184 N CA 1.036 54.094 53.050 0.014 0.000 0.849 184 N CB -0.604 37.904 38.487 0.035 0.000 1.002 184 N HN 0.180 nan 8.380 nan 0.000 0.425 185 Y N 1.427 121.734 120.300 0.011 0.000 2.139 185 Y HA -0.216 4.341 4.550 0.012 0.000 0.282 185 Y C 2.369 178.299 175.900 0.051 0.000 1.179 185 Y CA 2.011 60.145 58.100 0.056 0.000 1.161 185 Y CB -0.686 37.829 38.460 0.091 0.000 0.970 185 Y HN 0.110 nan 8.280 nan 0.000 0.511 186 G N -0.718 108.191 108.800 0.181 0.000 2.402 186 G HA2 -0.274 3.693 3.960 0.011 0.000 0.216 186 G HA3 -0.274 3.693 3.960 0.011 0.000 0.216 186 G C 1.746 176.723 174.900 0.129 0.000 1.162 186 G CA 0.788 45.978 45.100 0.149 0.000 0.777 186 G HN 0.396 nan 8.290 nan 0.000 0.539 187 R N 0.668 121.227 120.500 0.098 0.000 2.075 187 R HA 0.100 4.446 4.340 0.011 0.000 0.232 187 R C 2.758 179.110 176.300 0.088 0.000 1.126 187 R CA 1.468 57.650 56.100 0.136 0.000 0.963 187 R CB -0.479 29.875 30.300 0.091 0.000 0.858 187 R HN 0.225 nan 8.270 nan 0.000 0.435 188 A N 0.922 123.752 122.820 0.016 0.000 1.892 188 A HA -0.148 4.179 4.320 0.011 0.000 0.218 188 A C 2.324 179.886 177.584 -0.036 0.000 1.188 188 A CA 1.867 53.878 52.037 -0.043 0.000 0.631 188 A CB -0.838 18.093 19.000 -0.116 0.000 0.822 188 A HN 0.233 nan 8.150 nan 0.000 0.447 189 V N -1.090 118.824 119.914 0.001 0.000 2.250 189 V HA -0.333 3.794 4.120 0.011 0.000 0.250 189 V C 2.403 178.550 176.094 0.088 0.000 1.060 189 V CA 2.524 64.862 62.300 0.064 0.000 1.030 189 V CB -1.040 30.850 31.823 0.110 0.000 0.643 189 V HN 0.768 nan 8.190 nan 0.000 0.445 190 Y N 1.149 121.455 120.300 0.009 0.000 2.133 190 Y HA -0.174 4.383 4.550 0.011 0.000 0.287 190 Y C 2.596 178.495 175.900 -0.002 0.000 1.134 190 Y CA 1.808 59.912 58.100 0.007 0.000 1.133 190 Y CB -0.667 37.806 38.460 0.021 0.000 0.987 190 Y HN 0.258 nan 8.280 nan 0.000 0.502 191 E N -0.185 119.682 120.200 -0.555 0.000 2.086 191 E HA -0.315 4.042 4.350 0.011 0.000 0.200 191 E C 2.525 178.944 176.600 -0.302 0.000 1.012 191 E CA 1.611 57.697 56.400 -0.522 0.000 0.812 191 E CB -1.201 28.339 29.700 -0.267 0.000 0.743 191 E HN 0.577 nan 8.360 nan 0.000 0.453 192 c N 0.174 118.666 118.600 -0.180 0.000 2.429 192 c HA -0.076 4.501 4.570 0.011 0.000 0.277 192 c C 2.848 176.875 174.090 -0.105 0.000 1.262 192 c CA 0.497 56.755 56.329 -0.119 0.000 1.733 192 c CB -1.043 41.422 42.510 -0.074 0.000 2.010 192 c HN 0.339 nan 8.230 nan 0.000 0.483 193 L N 0.848 122.025 121.223 -0.076 0.000 2.270 193 L HA -0.011 4.335 4.340 0.011 0.000 0.210 193 L C 2.860 179.704 176.870 -0.043 0.000 1.104 193 L CA 1.150 55.966 54.840 -0.040 0.000 0.804 193 L CB -0.561 41.508 42.059 0.017 0.000 0.937 193 L HN 0.442 nan 8.230 nan 0.000 0.450 194 R N 0.201 120.656 120.500 -0.076 0.000 2.148 194 R HA -0.051 4.295 4.340 0.011 0.000 0.227 194 R C 1.813 178.067 176.300 -0.077 0.000 1.103 194 R CA 1.285 57.357 56.100 -0.047 0.000 0.983 194 R CB -0.919 29.327 30.300 -0.090 0.000 0.874 194 R HN 0.207 nan 8.270 nan 0.000 0.451 195 G N -0.016 108.713 108.800 -0.117 0.000 2.990 195 G HA2 0.197 4.164 3.960 0.011 0.000 0.206 195 G HA3 0.197 4.164 3.960 0.011 0.000 0.206 195 G C 0.892 175.736 174.900 -0.094 0.000 1.169 195 G CA 0.241 45.275 45.100 -0.110 0.000 0.819 195 G HN 0.644 nan 8.290 nan 0.000 0.517 196 G N -1.455 107.299 108.800 -0.076 0.000 2.157 196 G HA2 -0.216 3.751 3.960 0.011 0.000 0.239 196 G HA3 -0.216 3.751 3.960 0.011 0.000 0.239 196 G C 0.277 175.126 174.900 -0.084 0.000 0.982 196 G CA 0.044 45.101 45.100 -0.071 0.000 0.650 196 G HN 0.345 nan 8.290 nan 0.000 0.527 197 L N 0.973 122.145 121.223 -0.086 0.000 2.475 197 L HA 0.467 4.814 4.340 0.011 0.000 0.253 197 L C 1.418 178.208 176.870 -0.134 0.000 1.198 197 L CA 0.516 55.308 54.840 -0.079 0.000 0.814 197 L CB 0.502 42.532 42.059 -0.049 0.000 1.134 197 L HN 0.162 nan 8.230 nan 0.000 0.478 198 D N -0.195 120.074 120.400 -0.218 0.000 2.380 198 D HA 0.084 4.730 4.640 0.011 0.000 0.212 198 D C -0.542 175.480 176.300 -0.463 0.000 1.021 198 D CA 0.934 54.676 54.000 -0.430 0.000 0.884 198 D CB 0.735 41.095 40.800 -0.733 0.000 1.001 198 D HN 0.105 nan 8.370 nan 0.000 0.506 199 F N 0.691 120.533 119.950 -0.180 0.000 2.591 199 F HA 0.279 4.813 4.527 0.011 0.000 0.309 199 F C 0.216 175.712 175.800 -0.506 0.000 1.098 199 F CA -1.177 56.585 58.000 -0.396 0.000 0.937 199 F CB 1.901 40.620 39.000 -0.468 0.000 1.250 199 F HN -0.351 nan 8.300 nan 0.000 0.447 200 T N -0.801 113.456 114.554 -0.495 0.000 2.916 200 T HA 0.726 5.083 4.350 0.011 0.000 0.292 200 T C -1.032 173.141 174.700 -0.877 0.000 1.055 200 T CA -1.033 60.779 62.100 -0.481 0.000 1.009 200 T CB 2.560 71.327 68.868 -0.169 0.000 1.118 200 T HN 0.709 nan 8.240 nan 0.000 0.497 201 K N 0.882 121.035 120.400 -0.410 0.000 2.378 201 K HA 0.480 4.807 4.320 0.011 0.000 0.252 201 K C -1.387 175.312 176.600 0.164 0.000 0.931 201 K CA -0.710 55.524 56.287 -0.090 0.000 0.794 201 K CB 1.437 34.111 32.500 0.290 0.000 1.181 201 K HN 0.463 nan 8.250 nan 0.000 0.425 202 D N 2.891 123.499 120.400 0.347 0.000 2.351 202 D HA 0.023 4.670 4.640 0.011 0.000 0.251 202 D C -0.407 176.126 176.300 0.387 0.000 1.137 202 D CA 0.172 54.491 54.000 0.532 0.000 0.879 202 D CB 1.356 42.415 40.800 0.431 0.000 1.181 202 D HN 0.671 nan 8.370 nan 0.000 0.448 203 D N 0.764 121.395 120.400 0.384 0.000 2.362 203 D HA -0.098 4.549 4.640 0.011 0.000 0.238 203 D C 1.554 177.941 176.300 0.144 0.000 1.212 203 D CA -0.217 53.935 54.000 0.254 0.000 0.902 203 D CB 0.882 41.825 40.800 0.238 0.000 1.180 203 D HN 0.262 nan 8.370 nan 0.000 0.445 204 E N 1.772 121.960 120.200 -0.020 0.000 2.265 204 E HA -0.240 4.117 4.350 0.011 0.000 0.196 204 E C 0.551 177.103 176.600 -0.080 0.000 0.996 204 E CA 1.138 57.414 56.400 -0.206 0.000 0.832 204 E CB -0.395 28.860 29.700 -0.743 0.000 0.756 204 E HN 0.419 nan 8.360 nan 0.000 0.491 205 N N 0.487 119.187 118.700 0.001 0.000 2.424 205 N HA 0.038 4.784 4.740 0.011 0.000 0.178 205 N C -0.125 175.441 175.510 0.092 0.000 1.060 205 N CA 0.210 53.284 53.050 0.041 0.000 0.901 205 N CB 0.518 39.044 38.487 0.066 0.000 0.979 205 N HN -0.005 nan 8.380 nan 0.000 0.451 206 V N 2.180 122.166 119.914 0.119 0.000 2.405 206 V HA 0.167 4.293 4.120 0.011 0.000 0.264 206 V C 0.415 176.567 176.094 0.098 0.000 1.048 206 V CA -0.003 62.371 62.300 0.124 0.000 0.966 206 V CB 0.177 32.064 31.823 0.107 0.000 1.015 206 V HN 0.228 nan 8.190 nan 0.000 0.477 207 N N 2.580 121.319 118.700 0.065 0.000 2.289 207 N HA 0.282 5.029 4.740 0.011 0.000 0.109 207 N C -0.344 175.202 175.510 0.061 0.000 1.647 207 N CA -0.544 52.546 53.050 0.067 0.000 1.181 207 N CB 0.589 39.090 38.487 0.023 0.000 1.080 207 N HN 0.525 nan 8.380 nan 0.000 0.310 208 S N 0.132 115.844 115.700 0.021 0.000 2.473 208 S HA 0.536 5.013 4.470 0.011 0.000 0.307 208 S C -1.420 173.103 174.600 -0.129 0.000 1.094 208 S CA -0.319 57.883 58.200 0.003 0.000 1.070 208 S CB 1.250 64.537 63.200 0.145 0.000 1.019 208 S HN 0.309 nan 8.310 nan 0.000 0.480 209 Q N 3.186 122.797 119.800 -0.316 0.000 2.462 209 Q HA 0.479 4.826 4.340 0.011 0.000 0.285 209 Q C -1.972 173.736 176.000 -0.485 0.000 1.035 209 Q CA -1.679 53.875 55.803 -0.415 0.000 0.799 209 Q CB 2.069 30.394 28.738 -0.688 0.000 1.452 209 Q HN 0.357 nan 8.270 nan 0.000 0.404 210 P HA -0.224 nan 4.420 nan 0.000 0.215 210 P C 1.044 178.234 177.300 -0.182 0.000 1.163 210 P CA 1.789 64.795 63.100 -0.156 0.000 0.894 210 P CB -0.152 31.538 31.700 -0.017 0.000 0.791 211 F N -2.016 117.936 119.950 0.004 0.000 2.216 211 F HA 0.131 4.665 4.527 0.013 0.000 0.300 211 F C 1.419 177.216 175.800 -0.004 0.000 1.085 211 F CA 0.582 58.584 58.000 0.003 0.000 1.326 211 F CB -0.787 38.220 39.000 0.012 0.000 1.027 211 F HN -0.174 nan 8.300 nan 0.000 0.497 212 M N 0.902 120.164 119.600 -0.564 0.000 2.284 212 M HA 0.352 4.839 4.480 0.011 0.000 0.229 212 M C -1.182 174.912 176.300 -0.342 0.000 0.984 212 M CA -0.599 54.540 55.300 -0.270 0.000 1.016 212 M CB 1.137 33.710 32.600 -0.044 0.000 2.379 212 M HN -0.095 nan 8.290 nan 0.000 0.459 213 R N 3.075 123.456 120.500 -0.200 0.000 2.539 213 R HA 0.232 4.579 4.340 0.011 0.000 0.275 213 R C 1.048 177.285 176.300 -0.105 0.000 1.077 213 R CA 0.111 56.119 56.100 -0.153 0.000 1.097 213 R CB 0.516 30.715 30.300 -0.169 0.000 1.018 213 R HN 0.796 nan 8.270 nan 0.000 0.483 214 W N 4.188 125.403 121.300 -0.143 0.000 2.354 214 W HA -0.166 4.499 4.660 0.008 0.000 0.315 214 W C 0.888 177.314 176.519 -0.155 0.000 1.206 214 W CA 0.948 58.205 57.345 -0.146 0.000 1.290 214 W CB -0.388 28.888 29.460 -0.306 0.000 1.152 214 W HN 0.481 nan 8.180 nan 0.000 0.489 215 R N 1.069 120.744 120.500 -1.375 0.000 2.152 215 R HA -0.134 4.213 4.340 0.011 0.000 0.232 215 R C 1.558 177.641 176.300 -0.361 0.000 1.117 215 R CA 1.867 57.132 56.100 -1.391 0.000 0.981 215 R CB -0.399 28.777 30.300 -1.875 0.000 0.870 215 R HN 0.213 nan 8.270 nan 0.000 0.451 216 D N -0.656 119.638 120.400 -0.178 0.000 2.213 216 D HA -0.096 4.551 4.640 0.011 0.000 0.205 216 D C 1.846 178.338 176.300 0.321 0.000 0.961 216 D CA 0.504 54.565 54.000 0.100 0.000 0.853 216 D CB -0.154 40.740 40.800 0.157 0.000 0.967 216 D HN 0.190 nan 8.370 nan 0.000 0.496 217 R N 0.071 120.729 120.500 0.262 0.000 2.091 217 R HA -0.152 4.195 4.340 0.011 0.000 0.238 217 R C 2.043 178.579 176.300 0.393 0.000 1.136 217 R CA 1.140 57.419 56.100 0.299 0.000 0.959 217 R CB -0.295 30.146 30.300 0.235 0.000 0.856 217 R HN 0.004 nan 8.270 nan 0.000 0.437 218 F N 0.766 120.823 119.950 0.178 0.000 2.171 218 F HA -0.156 4.378 4.527 0.011 0.000 0.300 218 F C 2.163 178.054 175.800 0.150 0.000 1.090 218 F CA 0.989 59.120 58.000 0.218 0.000 1.293 218 F CB -0.585 38.682 39.000 0.445 0.000 1.013 218 F HN 0.092 nan 8.300 nan 0.000 0.486 219 L N -1.943 119.483 121.223 0.338 0.000 2.131 219 L HA -0.157 4.190 4.340 0.011 0.000 0.206 219 L C 2.108 178.942 176.870 -0.060 0.000 1.087 219 L CA 1.097 55.997 54.840 0.100 0.000 0.767 219 L CB -0.291 41.764 42.059 -0.007 0.000 0.917 219 L HN -0.035 nan 8.230 nan 0.000 0.441 220 F N -1.221 118.783 119.950 0.090 0.000 2.219 220 F HA -0.106 4.429 4.527 0.012 0.000 0.294 220 F C 2.562 178.365 175.800 0.005 0.000 1.086 220 F CA 0.956 58.987 58.000 0.052 0.000 1.330 220 F CB -0.870 38.170 39.000 0.067 0.000 1.047 220 F HN 0.100 nan 8.300 nan 0.000 0.495 221 C N 0.037 119.418 119.300 0.135 0.000 2.419 221 C HA -0.111 4.356 4.460 0.011 0.000 0.281 221 C C 3.055 177.972 174.990 -0.121 0.000 1.336 221 C CA 0.891 59.855 59.018 -0.091 0.000 1.770 221 C CB -1.642 25.866 27.740 -0.387 0.000 1.929 221 C HN 0.501 nan 8.230 nan 0.000 0.509 222 A N 0.337 123.101 122.820 -0.092 0.000 1.855 222 A HA -0.190 4.137 4.320 0.011 0.000 0.215 222 A C 2.146 179.637 177.584 -0.155 0.000 1.191 222 A CA 1.707 53.638 52.037 -0.178 0.000 0.613 222 A CB -0.695 18.288 19.000 -0.028 0.000 0.829 222 A HN 0.651 nan 8.150 nan 0.000 0.442 223 E N -0.160 120.046 120.200 0.011 0.000 2.019 223 E HA -0.246 4.111 4.350 0.011 0.000 0.208 223 E C 2.260 178.863 176.600 0.006 0.000 1.030 223 E CA 1.416 57.850 56.400 0.057 0.000 0.856 223 E CB -0.386 29.342 29.700 0.046 0.000 0.781 223 E HN 0.454 nan 8.360 nan 0.000 0.471 224 A N 1.158 123.990 122.820 0.020 0.000 1.923 224 A HA -0.294 4.033 4.320 0.011 0.000 0.222 224 A C 2.292 179.880 177.584 0.005 0.000 1.258 224 A CA 2.930 54.983 52.037 0.027 0.000 0.670 224 A CB -1.336 17.732 19.000 0.112 0.000 0.834 224 A HN 0.485 nan 8.150 nan 0.000 0.470 225 L N -4.163 117.006 121.223 -0.091 0.000 2.217 225 L HA -0.002 4.344 4.340 0.011 0.000 0.211 225 L C 2.231 179.015 176.870 -0.144 0.000 1.107 225 L CA 1.711 56.471 54.840 -0.135 0.000 0.783 225 L CB -0.906 41.008 42.059 -0.242 0.000 0.919 225 L HN 0.266 nan 8.230 nan 0.000 0.442 226 Y N 0.603 120.908 120.300 0.009 0.000 2.314 226 Y HA -0.033 4.523 4.550 0.010 0.000 0.293 226 Y C 2.686 178.574 175.900 -0.021 0.000 1.129 226 Y CA 1.078 59.173 58.100 -0.008 0.000 1.201 226 Y CB -0.523 37.924 38.460 -0.021 0.000 0.999 226 Y HN 0.301 nan 8.280 nan 0.000 0.541 227 K N 0.325 120.766 120.400 0.069 0.000 1.973 227 K HA -0.136 4.191 4.320 0.011 0.000 0.210 227 K C 2.378 178.999 176.600 0.035 0.000 1.045 227 K CA 1.191 57.451 56.287 -0.044 0.000 0.937 227 K CB -0.346 31.967 32.500 -0.311 0.000 0.721 227 K HN 0.163 nan 8.250 nan 0.000 0.438 228 A N 1.549 124.446 122.820 0.129 0.000 1.958 228 A HA -0.281 4.046 4.320 0.011 0.000 0.221 228 A C 2.006 179.667 177.584 0.128 0.000 1.178 228 A CA 2.243 54.434 52.037 0.257 0.000 0.642 228 A CB -0.702 18.456 19.000 0.263 0.000 0.816 228 A HN 0.701 nan 8.150 nan 0.000 0.453 229 E N -0.517 119.738 120.200 0.093 0.000 2.152 229 E HA 0.036 4.393 4.350 0.011 0.000 0.192 229 E C 1.858 178.501 176.600 0.072 0.000 0.983 229 E CA 0.785 57.229 56.400 0.074 0.000 0.818 229 E CB -0.215 29.541 29.700 0.094 0.000 0.758 229 E HN 0.534 nan 8.360 nan 0.000 0.467 230 A N 0.536 123.404 122.820 0.080 0.000 2.169 230 A HA -0.048 4.279 4.320 0.011 0.000 0.212 230 A C 1.875 179.491 177.584 0.053 0.000 1.153 230 A CA 0.693 52.764 52.037 0.057 0.000 0.756 230 A CB -0.159 18.868 19.000 0.046 0.000 0.813 230 A HN 0.321 nan 8.150 nan 0.000 0.471 231 E N -0.303 119.941 120.200 0.073 0.000 2.060 231 E HA -0.108 4.248 4.350 0.011 0.000 0.189 231 E C 2.136 178.771 176.600 0.058 0.000 0.974 231 E CA 1.494 57.942 56.400 0.080 0.000 0.808 231 E CB 0.105 29.888 29.700 0.139 0.000 0.768 231 E HN 0.723 nan 8.360 nan 0.000 0.453 232 T N -2.723 111.862 114.554 0.051 0.000 2.735 232 T HA 0.134 4.491 4.350 0.011 0.000 0.256 232 T C 1.627 176.340 174.700 0.022 0.000 1.042 232 T CA 0.877 62.994 62.100 0.028 0.000 1.147 232 T CB -0.053 68.823 68.868 0.013 0.000 0.865 232 T HN 0.328 nan 8.240 nan 0.000 0.421 233 G N 1.133 109.947 108.800 0.023 0.000 2.168 233 G HA2 -0.145 3.822 3.960 0.011 0.000 0.197 233 G HA3 -0.145 3.822 3.960 0.011 0.000 0.197 233 G C -0.299 174.606 174.900 0.008 0.000 0.997 233 G CA -0.147 44.964 45.100 0.018 0.000 0.658 233 G HN 0.637 nan 8.290 nan 0.000 0.513 234 E N -0.106 120.093 120.200 -0.001 0.000 2.195 234 E HA 0.579 4.936 4.350 0.011 0.000 0.271 234 E C 0.287 176.870 176.600 -0.028 0.000 0.923 234 E CA -1.015 55.370 56.400 -0.024 0.000 0.790 234 E CB 1.861 31.534 29.700 -0.045 0.000 1.155 234 E HN 0.302 nan 8.360 nan 0.000 0.402 235 I N 3.346 123.893 120.570 -0.039 0.000 2.683 235 I HA -0.034 4.143 4.170 0.011 0.000 0.286 235 I C 0.505 176.578 176.117 -0.073 0.000 1.175 235 I CA 0.613 61.898 61.300 -0.026 0.000 1.429 235 I CB 0.077 38.065 38.000 -0.021 0.000 1.371 235 I HN 0.194 nan 8.210 nan 0.000 0.569 236 K N 4.529 124.907 120.400 -0.037 0.000 2.281 236 K HA 0.830 5.157 4.320 0.011 0.000 0.242 236 K C -0.258 176.346 176.600 0.006 0.000 0.971 236 K CA -0.770 55.481 56.287 -0.059 0.000 0.834 236 K CB 2.349 34.830 32.500 -0.031 0.000 1.181 236 K HN 0.802 nan 8.250 nan 0.000 0.435 237 G N 0.274 109.127 108.800 0.087 0.000 2.703 237 G HA2 0.323 4.289 3.960 0.011 0.000 0.294 237 G HA3 0.323 4.289 3.960 0.011 0.000 0.294 237 G C -2.120 172.840 174.900 0.100 0.000 1.451 237 G CA -0.539 44.643 45.100 0.137 0.000 0.869 237 G HN 0.581 nan 8.290 nan 0.000 0.516 238 H N -0.081 118.944 119.070 -0.075 0.000 2.466 238 H HA 0.567 5.130 4.556 0.011 0.000 0.338 238 H C -0.826 174.454 175.328 -0.079 0.000 1.091 238 H CA -0.613 55.347 56.048 -0.148 0.000 1.207 238 H CB 0.964 30.665 29.762 -0.102 0.000 1.466 238 H HN 0.381 nan 8.280 nan 0.000 0.493 239 Y N 5.485 125.599 120.300 -0.310 0.000 2.613 239 Y HA 0.124 4.680 4.550 0.010 0.000 0.354 239 Y C 0.012 175.939 175.900 0.045 0.000 1.063 239 Y CA -0.660 57.350 58.100 -0.150 0.000 1.384 239 Y CB -0.494 37.864 38.460 -0.171 0.000 1.199 239 Y HN 0.399 nan 8.280 nan 0.000 0.517 240 L N 3.783 125.112 121.223 0.176 0.000 2.369 240 L HA 0.117 4.464 4.340 0.011 0.000 0.279 240 L C 0.690 177.652 176.870 0.154 0.000 1.108 240 L CA -0.318 54.545 54.840 0.038 0.000 0.852 240 L CB 0.316 42.069 42.059 -0.511 0.000 1.169 240 L HN 0.529 nan 8.230 nan 0.000 0.452 241 N N 3.036 121.889 118.700 0.256 0.000 2.410 241 N HA 0.041 4.787 4.740 0.011 0.000 0.281 241 N C 0.734 176.409 175.510 0.275 0.000 1.241 241 N CA 0.065 53.267 53.050 0.254 0.000 0.998 241 N CB 1.185 39.805 38.487 0.223 0.000 1.376 241 N HN 0.680 nan 8.380 nan 0.000 0.490 242 A N 2.530 125.479 122.820 0.214 0.000 2.239 242 A HA 0.004 4.331 4.320 0.011 0.000 0.209 242 A C 0.858 178.435 177.584 -0.011 0.000 1.171 242 A CA 0.234 52.327 52.037 0.095 0.000 0.768 242 A CB -0.378 18.633 19.000 0.018 0.000 0.790 242 A HN 0.498 nan 8.150 nan 0.000 0.478 243 T N 1.305 115.917 114.554 0.098 0.000 2.916 243 T HA 0.508 4.865 4.350 0.011 0.000 0.303 243 T C 0.227 174.927 174.700 0.000 0.000 1.025 243 T CA 0.759 62.936 62.100 0.130 0.000 1.142 243 T CB 1.023 70.004 68.868 0.189 0.000 0.947 243 T HN 0.694 nan 8.240 nan 0.000 0.544 244 A N 2.042 124.843 122.820 -0.031 0.000 2.568 244 A HA 0.799 5.126 4.320 0.011 0.000 0.291 244 A C 1.193 178.749 177.584 -0.046 0.000 1.159 244 A CA -0.271 51.722 52.037 -0.074 0.000 0.679 244 A CB 0.541 19.448 19.000 -0.155 0.000 1.285 244 A HN 0.771 nan 8.150 nan 0.000 0.428 245 G N -0.795 107.972 108.800 -0.055 0.000 2.623 245 G HA2 0.372 4.338 3.960 0.011 0.000 0.214 245 G HA3 0.372 4.338 3.960 0.011 0.000 0.214 245 G C 0.561 175.434 174.900 -0.045 0.000 1.138 245 G CA 1.515 46.591 45.100 -0.041 0.000 0.794 245 G HN 1.377 nan 8.290 nan 0.000 0.535 246 T N -3.422 111.094 114.554 -0.063 0.000 2.907 246 T HA 0.319 4.676 4.350 0.011 0.000 0.292 246 T C 1.001 175.653 174.700 -0.080 0.000 1.043 246 T CA -0.518 61.546 62.100 -0.060 0.000 1.003 246 T CB 1.507 70.341 68.868 -0.058 0.000 1.084 246 T HN -0.075 nan 8.240 nan 0.000 0.483 247 C N 0.991 120.249 119.300 -0.071 0.000 2.398 247 C HA -0.096 4.370 4.460 0.011 0.000 0.276 247 C C 2.705 177.628 174.990 -0.111 0.000 1.222 247 C CA 1.233 60.198 59.018 -0.087 0.000 1.746 247 C CB -1.260 26.443 27.740 -0.062 0.000 2.039 247 C HN 1.043 nan 8.230 nan 0.000 0.470 248 E N 0.617 120.762 120.200 -0.092 0.000 2.070 248 E HA -0.186 4.171 4.350 0.011 0.000 0.197 248 E C 2.216 178.729 176.600 -0.145 0.000 1.004 248 E CA 1.228 57.569 56.400 -0.099 0.000 0.805 248 E CB -0.346 29.312 29.700 -0.070 0.000 0.744 248 E HN 0.559 nan 8.360 nan 0.000 0.451 249 E N -0.186 119.918 120.200 -0.160 0.000 2.107 249 E HA -0.119 4.237 4.350 0.011 0.000 0.191 249 E C 2.002 178.406 176.600 -0.327 0.000 0.982 249 E CA 0.562 56.822 56.400 -0.234 0.000 0.809 249 E CB -0.175 29.401 29.700 -0.207 0.000 0.756 249 E HN 0.316 nan 8.360 nan 0.000 0.459 250 M N 0.370 119.810 119.600 -0.268 0.000 2.080 250 M HA -0.204 4.283 4.480 0.011 0.000 0.260 250 M C 1.882 177.982 176.300 -0.333 0.000 1.068 250 M CA 1.410 56.534 55.300 -0.294 0.000 1.109 250 M CB -0.020 32.422 32.600 -0.264 0.000 1.342 250 M HN 0.024 nan 8.290 nan 0.000 0.405 251 I N 0.647 121.036 120.570 -0.302 0.000 2.286 251 I HA -0.279 3.897 4.170 0.011 0.000 0.248 251 I C 2.314 178.201 176.117 -0.382 0.000 1.115 251 I CA 1.458 62.536 61.300 -0.369 0.000 1.392 251 I CB -1.413 36.433 38.000 -0.257 0.000 1.065 251 I HN 0.430 nan 8.210 nan 0.000 0.418 252 K N 0.833 121.044 120.400 -0.315 0.000 2.103 252 K HA -0.178 4.148 4.320 0.011 0.000 0.207 252 K C 2.272 178.604 176.600 -0.448 0.000 1.048 252 K CA 1.313 57.429 56.287 -0.284 0.000 0.930 252 K CB 0.090 32.443 32.500 -0.245 0.000 0.716 252 K HN 0.263 nan 8.250 nan 0.000 0.444 253 R N -0.211 119.842 120.500 -0.745 0.000 2.062 253 R HA -0.021 4.326 4.340 0.011 0.000 0.229 253 R C 2.478 178.666 176.300 -0.186 0.000 1.128 253 R CA 0.973 56.477 56.100 -0.994 0.000 0.960 253 R CB -0.464 29.230 30.300 -1.011 0.000 0.855 253 R HN 0.191 nan 8.270 nan 0.000 0.432 254 A N 1.338 124.035 122.820 -0.206 0.000 1.903 254 A HA -0.182 4.145 4.320 0.011 0.000 0.219 254 A C 2.435 179.953 177.584 -0.109 0.000 1.191 254 A CA 1.925 53.868 52.037 -0.156 0.000 0.638 254 A CB -0.873 17.853 19.000 -0.456 0.000 0.823 254 A HN 0.127 nan 8.150 nan 0.000 0.451 255 V N -1.537 118.230 119.914 -0.245 0.000 2.380 255 V HA -0.258 3.868 4.120 0.011 0.000 0.251 255 V C 2.272 178.510 176.094 0.239 0.000 1.063 255 V CA 2.248 64.557 62.300 0.014 0.000 1.055 255 V CB -0.864 30.965 31.823 0.009 0.000 0.657 255 V HN 0.640 nan 8.190 nan 0.000 0.455 256 F N 1.073 121.116 119.950 0.155 0.000 2.367 256 F HA 0.117 4.648 4.527 0.008 0.000 0.298 256 F C 2.166 178.182 175.800 0.360 0.000 1.094 256 F CA 0.580 58.753 58.000 0.288 0.000 1.409 256 F CB -0.482 38.779 39.000 0.434 0.000 1.064 256 F HN 0.072 nan 8.300 nan 0.000 0.528 257 A N 0.555 123.524 122.820 0.248 0.000 1.933 257 A HA -0.176 4.150 4.320 0.011 0.000 0.218 257 A C 2.446 180.055 177.584 0.043 0.000 1.175 257 A CA 1.337 53.435 52.037 0.101 0.000 0.628 257 A CB -0.679 18.415 19.000 0.157 0.000 0.814 257 A HN 0.278 nan 8.150 nan 0.000 0.444 258 R N -0.142 120.436 120.500 0.129 0.000 2.092 258 R HA -0.104 4.243 4.340 0.011 0.000 0.231 258 R C 2.000 178.343 176.300 0.072 0.000 1.119 258 R CA 1.639 57.822 56.100 0.139 0.000 0.970 258 R CB -0.418 30.036 30.300 0.257 0.000 0.864 258 R HN 0.768 nan 8.270 nan 0.000 0.440 259 E N 0.188 120.412 120.200 0.039 0.000 2.150 259 E HA -0.127 4.229 4.350 0.011 0.000 0.193 259 E C 1.850 178.405 176.600 -0.075 0.000 0.985 259 E CA 0.740 57.145 56.400 0.009 0.000 0.814 259 E CB 0.062 29.804 29.700 0.071 0.000 0.752 259 E HN 0.301 nan 8.360 nan 0.000 0.466 260 L N -0.894 120.229 121.223 -0.167 0.000 2.418 260 L HA 0.114 4.461 4.340 0.011 0.000 0.218 260 L C 1.518 178.435 176.870 0.079 0.000 1.125 260 L CA 0.502 55.299 54.840 -0.072 0.000 0.835 260 L CB 0.082 42.056 42.059 -0.141 0.000 0.953 260 L HN 0.334 nan 8.230 nan 0.000 0.454 261 G N 0.719 109.559 108.800 0.067 0.000 2.143 261 G HA2 -0.254 3.713 3.960 0.011 0.000 0.248 261 G HA3 -0.254 3.713 3.960 0.011 0.000 0.248 261 G C 0.336 175.345 174.900 0.182 0.000 0.991 261 G CA 0.219 45.382 45.100 0.106 0.000 0.689 261 G HN 0.216 nan 8.290 nan 0.000 0.522 262 V N -1.780 118.209 119.914 0.125 0.000 2.686 262 V HA 0.571 4.697 4.120 0.011 0.000 0.295 262 V C 0.080 176.203 176.094 0.048 0.000 1.055 262 V CA -0.982 61.355 62.300 0.062 0.000 1.050 262 V CB 1.177 32.967 31.823 -0.054 0.000 0.984 262 V HN 0.119 nan 8.190 nan 0.000 0.482 263 P HA 0.168 nan 4.420 nan 0.000 0.229 263 P C 0.129 177.430 177.300 0.001 0.000 1.160 263 P CA 0.883 64.001 63.100 0.030 0.000 0.777 263 P CB 0.580 32.318 31.700 0.064 0.000 0.814 264 I N -0.701 119.875 120.570 0.009 0.000 2.841 264 I HA 0.324 4.500 4.170 0.011 0.000 0.298 264 I C -1.259 174.869 176.117 0.019 0.000 1.304 264 I CA -1.215 60.073 61.300 -0.020 0.000 1.019 264 I CB 2.500 40.459 38.000 -0.068 0.000 1.282 264 I HN -0.347 nan 8.210 nan 0.000 0.432 265 V N 4.177 124.103 119.914 0.021 0.000 3.145 265 V HA 0.700 4.826 4.120 0.011 0.000 0.311 265 V C -0.564 175.571 176.094 0.068 0.000 1.238 265 V CA -0.875 61.461 62.300 0.060 0.000 1.066 265 V CB 1.885 33.757 31.823 0.082 0.000 1.144 265 V HN 0.863 nan 8.190 nan 0.000 0.465 266 M N 0.667 120.337 119.600 0.116 0.000 2.531 266 M HA 0.586 5.073 4.480 0.011 0.000 0.286 266 M C -1.887 174.520 176.300 0.178 0.000 1.232 266 M CA -0.374 55.007 55.300 0.134 0.000 0.877 266 M CB 2.358 35.087 32.600 0.215 0.000 1.726 266 M HN 1.084 nan 8.290 nan 0.000 0.463 267 H N 1.894 120.972 119.070 0.013 0.000 2.954 267 H HA 0.300 4.864 4.556 0.013 0.000 0.361 267 H C -1.708 173.639 175.328 0.031 0.000 1.122 267 H CA -0.802 55.253 56.048 0.012 0.000 1.217 267 H CB 1.760 31.519 29.762 -0.004 0.000 1.776 267 H HN 0.673 nan 8.280 nan 0.000 0.533 268 D N 5.318 125.562 120.400 -0.260 0.000 2.339 268 D HA -0.026 4.621 4.640 0.011 0.000 0.241 268 D C 0.769 176.779 176.300 -0.484 0.000 1.183 268 D CA -0.142 53.721 54.000 -0.228 0.000 0.859 268 D CB 0.529 41.196 40.800 -0.223 0.000 1.067 268 D HN 0.550 nan 8.370 nan 0.000 0.484 269 Y N 0.855 120.852 120.300 -0.504 0.000 2.546 269 Y HA 0.179 4.735 4.550 0.010 0.000 0.287 269 Y C 1.164 176.744 175.900 -0.534 0.000 1.158 269 Y CA 0.093 57.853 58.100 -0.568 0.000 1.307 269 Y CB -0.379 37.837 38.460 -0.407 0.000 1.036 269 Y HN 0.266 nan 8.280 nan 0.000 0.532 270 L N -0.002 120.803 121.223 -0.697 0.000 2.286 270 L HA -0.014 4.332 4.340 0.011 0.000 0.203 270 L C 2.491 179.148 176.870 -0.356 0.000 1.068 270 L CA 1.183 55.642 54.840 -0.634 0.000 0.811 270 L CB -0.517 41.205 42.059 -0.562 0.000 0.989 270 L HN 0.294 nan 8.230 nan 0.000 0.467 271 T N -2.306 112.089 114.554 -0.265 0.000 2.737 271 T HA -0.101 4.256 4.350 0.011 0.000 0.265 271 T C 1.927 176.540 174.700 -0.146 0.000 1.038 271 T CA 1.114 63.110 62.100 -0.174 0.000 1.144 271 T CB -1.009 67.776 68.868 -0.138 0.000 0.866 271 T HN 0.336 nan 8.240 nan 0.000 0.434 272 G N 1.687 110.389 108.800 -0.163 0.000 2.421 272 G HA2 0.364 4.331 3.960 0.011 0.000 0.216 272 G HA3 0.364 4.331 3.960 0.011 0.000 0.216 272 G C 0.821 175.704 174.900 -0.028 0.000 1.171 272 G CA 0.466 45.556 45.100 -0.017 0.000 0.775 272 G HN 1.283 nan 8.290 nan 0.000 0.543 273 G N -2.481 106.234 108.800 -0.143 0.000 2.428 273 G HA2 0.081 4.047 3.960 0.011 0.000 0.681 273 G HA3 0.081 4.047 3.960 0.011 0.000 0.681 273 G C -0.005 174.785 174.900 -0.183 0.000 1.340 273 G CA -0.161 44.847 45.100 -0.153 0.000 0.915 273 G HN 0.026 nan 8.290 nan 0.000 0.645 274 F N 0.628 120.586 119.950 0.014 0.000 2.128 274 F HA 0.058 4.591 4.527 0.010 0.000 0.295 274 F C 3.166 178.971 175.800 0.007 0.000 1.100 274 F CA 2.281 60.284 58.000 0.005 0.000 1.260 274 F CB -0.718 38.234 39.000 -0.081 0.000 1.009 274 F HN 0.555 nan 8.300 nan 0.000 0.476 275 T N 0.130 114.782 114.554 0.164 0.000 2.635 275 T HA -0.291 4.066 4.350 0.011 0.000 0.267 275 T C 2.265 176.985 174.700 0.034 0.000 1.040 275 T CA 1.704 63.853 62.100 0.081 0.000 1.156 275 T CB -0.831 68.070 68.868 0.055 0.000 0.863 275 T HN 0.280 nan 8.240 nan 0.000 0.430 276 A N 1.636 124.477 122.820 0.035 0.000 1.902 276 A HA -0.149 4.177 4.320 0.011 0.000 0.217 276 A C 2.211 179.785 177.584 -0.016 0.000 1.181 276 A CA 1.997 54.032 52.037 -0.003 0.000 0.623 276 A CB -0.871 18.145 19.000 0.026 0.000 0.818 276 A HN 0.487 nan 8.150 nan 0.000 0.443 277 N N -0.252 118.519 118.700 0.119 0.000 2.043 277 N HA -0.133 4.613 4.740 0.011 0.000 0.193 277 N C 1.731 177.269 175.510 0.047 0.000 1.037 277 N CA 2.442 55.601 53.050 0.183 0.000 0.851 277 N CB -0.599 38.027 38.487 0.233 0.000 1.027 277 N HN 0.404 nan 8.380 nan 0.000 0.422 278 T N -0.633 113.937 114.554 0.027 0.000 2.665 278 T HA -0.133 4.224 4.350 0.011 0.000 0.268 278 T C 2.038 176.527 174.700 -0.352 0.000 1.035 278 T CA 1.692 63.710 62.100 -0.135 0.000 1.151 278 T CB -0.594 68.217 68.868 -0.095 0.000 0.862 278 T HN 0.192 nan 8.240 nan 0.000 0.438 279 S N 1.094 116.653 115.700 -0.235 0.000 2.368 279 S HA -0.031 4.445 4.470 0.011 0.000 0.225 279 S C 1.885 176.434 174.600 -0.085 0.000 1.030 279 S CA 0.655 58.748 58.200 -0.180 0.000 0.999 279 S CB -0.440 62.697 63.200 -0.105 0.000 0.844 279 S HN 0.228 nan 8.310 nan 0.000 0.459 280 L N 1.715 122.882 121.223 -0.093 0.000 2.156 280 L HA 0.175 4.521 4.340 0.011 0.000 0.208 280 L C 2.261 179.171 176.870 0.067 0.000 1.095 280 L CA 1.462 56.279 54.840 -0.039 0.000 0.770 280 L CB -1.139 40.815 42.059 -0.176 0.000 0.914 280 L HN 0.242 nan 8.230 nan 0.000 0.439 281 A N -1.692 121.145 122.820 0.030 0.000 2.015 281 A HA -0.188 4.138 4.320 0.011 0.000 0.219 281 A C 2.044 179.724 177.584 0.161 0.000 1.163 281 A CA 1.574 53.659 52.037 0.080 0.000 0.646 281 A CB -0.858 18.182 19.000 0.066 0.000 0.806 281 A HN 0.707 nan 8.150 nan 0.000 0.448 282 H N -3.856 115.240 119.070 0.045 0.000 2.497 282 H HA 0.003 4.565 4.556 0.009 0.000 0.282 282 H C 1.885 177.223 175.328 0.016 0.000 1.003 282 H CA 0.931 56.988 56.048 0.014 0.000 1.307 282 H CB -0.008 29.761 29.762 0.011 0.000 1.437 282 H HN 0.651 nan 8.280 nan 0.000 0.544 283 Y N 1.182 121.538 120.300 0.094 0.000 2.145 283 Y HA -0.269 4.283 4.550 0.005 0.000 0.286 283 Y C 2.233 178.170 175.900 0.062 0.000 1.145 283 Y CA 1.415 59.548 58.100 0.056 0.000 1.148 283 Y CB -0.502 37.967 38.460 0.016 0.000 0.981 283 Y HN 0.176 nan 8.280 nan 0.000 0.507 284 C N 0.397 119.788 119.300 0.151 0.000 2.450 284 C HA -0.030 4.437 4.460 0.011 0.000 0.279 284 C C 2.704 177.731 174.990 0.061 0.000 1.335 284 C CA 0.987 60.078 59.018 0.121 0.000 1.749 284 C CB -1.346 26.502 27.740 0.180 0.000 1.963 284 C HN 0.550 nan 8.230 nan 0.000 0.501 285 R N 1.280 121.788 120.500 0.012 0.000 2.081 285 R HA -0.125 4.221 4.340 0.011 0.000 0.235 285 R C 1.284 177.538 176.300 -0.077 0.000 1.131 285 R CA 1.636 57.692 56.100 -0.074 0.000 0.960 285 R CB -0.275 29.953 30.300 -0.119 0.000 0.856 285 R HN 0.428 nan 8.270 nan 0.000 0.436 286 D N -0.289 120.040 120.400 -0.117 0.000 2.363 286 D HA -0.038 4.609 4.640 0.011 0.000 0.220 286 D C 0.552 176.746 176.300 -0.176 0.000 0.994 286 D CA 0.688 54.602 54.000 -0.143 0.000 0.890 286 D CB 0.131 40.837 40.800 -0.158 0.000 0.906 286 D HN 0.297 nan 8.370 nan 0.000 0.530 287 N N -0.831 117.743 118.700 -0.210 0.000 2.159 287 N HA 0.094 4.841 4.740 0.011 0.000 0.217 287 N C 0.899 176.388 175.510 -0.034 0.000 1.223 287 N CA 0.465 53.405 53.050 -0.183 0.000 0.896 287 N CB 2.010 40.276 38.487 -0.367 0.000 1.064 287 N HN 0.082 nan 8.380 nan 0.000 0.518 288 G N 1.696 110.528 108.800 0.054 0.000 2.149 288 G HA2 -0.238 3.728 3.960 0.011 0.000 0.235 288 G HA3 -0.238 3.728 3.960 0.011 0.000 0.235 288 G C -0.300 174.598 174.900 -0.003 0.000 1.018 288 G CA 0.034 45.205 45.100 0.118 0.000 0.728 288 G HN 0.173 nan 8.290 nan 0.000 0.508 289 L N -0.480 120.772 121.223 0.049 0.000 2.331 289 L HA 0.752 5.099 4.340 0.011 0.000 0.275 289 L C 0.894 177.730 176.870 -0.057 0.000 1.022 289 L CA -1.178 53.662 54.840 -0.001 0.000 0.812 289 L CB 1.465 43.585 42.059 0.101 0.000 1.257 289 L HN 0.082 nan 8.230 nan 0.000 0.435 290 L N 2.296 123.436 121.223 -0.139 0.000 2.416 290 L HA 0.509 4.855 4.340 0.011 0.000 0.262 290 L C -0.762 176.040 176.870 -0.114 0.000 1.093 290 L CA -0.613 54.132 54.840 -0.158 0.000 0.801 290 L CB 1.308 43.212 42.059 -0.258 0.000 1.191 290 L HN 0.341 nan 8.230 nan 0.000 0.459 291 L N 0.887 122.023 121.223 -0.145 0.000 2.372 291 L HA 0.365 4.711 4.340 0.011 0.000 0.274 291 L C -0.833 175.909 176.870 -0.213 0.000 0.988 291 L CA -0.282 54.491 54.840 -0.110 0.000 0.833 291 L CB 1.083 43.128 42.059 -0.024 0.000 1.236 291 L HN 0.439 nan 8.230 nan 0.000 0.410 292 H N 5.690 124.540 119.070 -0.367 0.000 2.705 292 H HA 0.473 5.035 4.556 0.011 0.000 0.291 292 H C -0.737 174.480 175.328 -0.186 0.000 1.085 292 H CA -0.487 55.298 56.048 -0.438 0.000 1.357 292 H CB 0.393 29.662 29.762 -0.821 0.000 1.419 292 H HN 0.406 nan 8.280 nan 0.000 0.462 293 I N 5.665 125.981 120.570 -0.422 0.000 2.342 293 I HA 0.086 4.263 4.170 0.011 0.000 0.291 293 I C 0.459 176.395 176.117 -0.302 0.000 1.010 293 I CA -0.322 60.792 61.300 -0.311 0.000 1.308 293 I CB 0.495 38.300 38.000 -0.325 0.000 1.400 293 I HN 0.688 nan 8.210 nan 0.000 0.488 294 H N 7.684 126.615 119.070 -0.232 0.000 2.489 294 H HA 0.316 4.879 4.556 0.011 0.000 0.322 294 H C 0.187 175.524 175.328 0.014 0.000 1.091 294 H CA -0.580 55.368 56.048 -0.167 0.000 1.291 294 H CB 1.079 30.726 29.762 -0.193 0.000 1.436 294 H HN 0.526 nan 8.280 nan 0.000 0.480 295 R N 3.209 123.865 120.500 0.259 0.000 3.179 295 R HA 0.521 4.868 4.340 0.011 0.000 0.317 295 R C 0.102 176.556 176.300 0.256 0.000 1.331 295 R CA -0.573 55.731 56.100 0.340 0.000 1.184 295 R CB -0.032 30.454 30.300 0.309 0.000 1.408 295 R HN 0.347 nan 8.270 nan 0.000 0.598 296 A N 1.047 124.045 122.820 0.296 0.000 2.466 296 A HA 0.220 4.546 4.320 0.011 0.000 0.238 296 A C 0.979 178.592 177.584 0.048 0.000 1.074 296 A CA 0.330 52.443 52.037 0.127 0.000 0.774 296 A CB 0.064 18.993 19.000 -0.119 0.000 1.015 296 A HN 0.843 nan 8.150 nan 0.000 0.498 297 M N -0.624 119.010 119.600 0.056 0.000 2.979 297 M HA -0.302 4.184 4.480 0.011 0.000 0.202 297 M C 1.058 177.351 176.300 -0.011 0.000 0.602 297 M CA 1.914 57.206 55.300 -0.013 0.000 0.774 297 M CB -1.934 30.622 32.600 -0.073 0.000 2.769 297 M HN 1.238 nan 8.290 nan 0.000 0.294 298 H N -1.105 117.951 119.070 -0.022 0.000 2.456 298 H HA 0.268 4.831 4.556 0.011 0.000 0.296 298 H C 1.648 176.990 175.328 0.023 0.000 1.079 298 H CA 1.660 57.715 56.048 0.012 0.000 1.322 298 H CB -0.278 29.559 29.762 0.126 0.000 1.388 298 H HN 0.494 nan 8.280 nan 0.000 0.538 299 A N 1.055 123.368 122.820 -0.844 0.000 2.206 299 A HA 0.070 4.396 4.320 0.011 0.000 0.211 299 A C 2.352 179.804 177.584 -0.221 0.000 1.158 299 A CA 0.744 52.438 52.037 -0.572 0.000 0.761 299 A CB -0.506 18.232 19.000 -0.436 0.000 0.801 299 A HN 0.344 nan 8.150 nan 0.000 0.473 300 V N 1.195 121.012 119.914 -0.163 0.000 2.270 300 V HA -0.237 3.889 4.120 0.011 0.000 0.245 300 V C 2.458 178.511 176.094 -0.068 0.000 1.043 300 V CA 2.061 64.311 62.300 -0.084 0.000 1.014 300 V CB -0.664 31.118 31.823 -0.068 0.000 0.645 300 V HN 0.708 nan 8.190 nan 0.000 0.447 301 I N 1.175 121.698 120.570 -0.079 0.000 2.406 301 I HA -0.036 4.141 4.170 0.011 0.000 0.249 301 I C 1.803 177.900 176.117 -0.033 0.000 1.122 301 I CA 1.689 62.946 61.300 -0.071 0.000 1.431 301 I CB -1.188 36.758 38.000 -0.089 0.000 1.087 301 I HN 0.523 nan 8.210 nan 0.000 0.424 302 D N 0.590 120.977 120.400 -0.021 0.000 2.395 302 D HA -0.016 4.631 4.640 0.011 0.000 0.213 302 D C 1.972 178.322 176.300 0.084 0.000 1.110 302 D CA -0.062 53.972 54.000 0.056 0.000 0.835 302 D CB -0.069 40.809 40.800 0.129 0.000 0.965 302 D HN 0.230 nan 8.370 nan 0.000 0.505 303 R N -0.413 120.101 120.500 0.023 0.000 2.080 303 R HA 0.066 4.413 4.340 0.011 0.000 0.222 303 R C 0.261 176.608 176.300 0.078 0.000 1.107 303 R CA 0.504 56.630 56.100 0.042 0.000 0.980 303 R CB 0.245 30.539 30.300 -0.011 0.000 0.879 303 R HN 0.113 nan 8.270 nan 0.000 0.439 304 Q N 0.944 120.792 119.800 0.079 0.000 2.293 304 Q HA 0.062 4.409 4.340 0.011 0.000 0.251 304 Q C 0.546 176.615 176.000 0.114 0.000 0.930 304 Q CA 0.034 55.892 55.803 0.092 0.000 0.893 304 Q CB 1.497 30.295 28.738 0.100 0.000 1.215 304 Q HN 0.019 nan 8.270 nan 0.000 0.425 305 K N 1.575 122.032 120.400 0.094 0.000 2.217 305 K HA -0.073 4.253 4.320 0.011 0.000 0.202 305 K C 1.058 177.709 176.600 0.085 0.000 1.051 305 K CA 0.899 57.235 56.287 0.082 0.000 0.952 305 K CB 0.227 32.761 32.500 0.057 0.000 0.736 305 K HN 0.600 nan 8.250 nan 0.000 0.453 306 N N -0.325 118.437 118.700 0.104 0.000 2.250 306 N HA -0.046 4.700 4.740 0.011 0.000 0.190 306 N C -0.355 175.292 175.510 0.227 0.000 1.116 306 N CA 0.059 53.180 53.050 0.118 0.000 0.881 306 N CB 0.191 38.725 38.487 0.078 0.000 1.006 306 N HN 0.115 nan 8.380 nan 0.000 0.491 307 H N -0.997 118.139 119.070 0.109 0.000 3.026 307 H HA 0.607 5.170 4.556 0.011 0.000 0.352 307 H C 0.035 175.469 175.328 0.175 0.000 1.090 307 H CA 0.520 56.672 56.048 0.174 0.000 1.268 307 H CB 1.525 31.377 29.762 0.150 0.000 1.816 307 H HN 0.341 nan 8.280 nan 0.000 0.518 308 G N 2.212 111.052 108.800 0.066 0.000 2.260 308 G HA2 0.103 4.070 3.960 0.011 0.000 0.250 308 G HA3 0.103 4.070 3.960 0.011 0.000 0.250 308 G C -1.737 173.202 174.900 0.066 0.000 1.340 308 G CA -0.313 44.762 45.100 -0.042 0.000 1.056 308 G HN 0.579 nan 8.290 nan 0.000 0.471 309 I N 0.636 121.187 120.570 -0.033 0.000 2.582 309 I HA 0.384 4.561 4.170 0.011 0.000 0.292 309 I C 0.138 176.280 176.117 0.042 0.000 1.066 309 I CA -0.806 60.480 61.300 -0.024 0.000 1.053 309 I CB 2.164 40.054 38.000 -0.183 0.000 1.241 309 I HN 0.698 nan 8.210 nan 0.000 0.421 310 H N 5.292 124.356 119.070 -0.011 0.000 2.767 310 H HA 0.061 4.624 4.556 0.011 0.000 0.316 310 H C 0.796 176.154 175.328 0.050 0.000 1.059 310 H CA 0.039 56.112 56.048 0.043 0.000 1.461 310 H CB 0.765 30.544 29.762 0.029 0.000 1.475 310 H HN 0.736 nan 8.280 nan 0.000 0.531 311 F N 6.069 125.619 119.950 -0.666 0.000 2.204 311 F HA -0.352 4.182 4.527 0.011 0.000 0.301 311 F C 2.476 177.886 175.800 -0.650 0.000 1.058 311 F CA 2.211 59.869 58.000 -0.571 0.000 1.313 311 F CB -0.034 38.595 39.000 -0.618 0.000 1.051 311 F HN 0.695 nan 8.300 nan 0.000 0.505 312 R N -0.707 119.365 120.500 -0.713 0.000 2.092 312 R HA -0.097 4.249 4.340 0.011 0.000 0.231 312 R C 1.878 178.064 176.300 -0.191 0.000 1.119 312 R CA 1.840 57.786 56.100 -0.257 0.000 0.970 312 R CB -1.353 29.089 30.300 0.237 0.000 0.864 312 R HN 0.285 nan 8.270 nan 0.000 0.440 313 V N 1.671 121.502 119.914 -0.138 0.000 2.270 313 V HA -0.185 3.941 4.120 0.011 0.000 0.245 313 V C 2.206 178.280 176.094 -0.033 0.000 1.043 313 V CA 1.311 63.581 62.300 -0.050 0.000 1.014 313 V CB -0.477 31.309 31.823 -0.061 0.000 0.645 313 V HN 0.184 nan 8.190 nan 0.000 0.447 314 L N 0.304 121.449 121.223 -0.130 0.000 2.551 314 L HA -0.089 4.258 4.340 0.011 0.000 0.230 314 L C 2.091 178.823 176.870 -0.229 0.000 1.163 314 L CA 1.911 56.725 54.840 -0.045 0.000 0.826 314 L CB -1.408 40.575 42.059 -0.127 0.000 0.943 314 L HN 0.379 nan 8.230 nan 0.000 0.452 315 A N -2.323 120.212 122.820 -0.475 0.000 2.288 315 A HA 0.070 4.397 4.320 0.011 0.000 0.216 315 A C 2.148 179.662 177.584 -0.117 0.000 1.199 315 A CA -0.072 51.739 52.037 -0.376 0.000 0.891 315 A CB 0.009 18.726 19.000 -0.472 0.000 0.923 315 A HN 0.231 nan 8.150 nan 0.000 0.500 316 K N 0.071 120.463 120.400 -0.014 0.000 2.228 316 K HA 0.094 4.420 4.320 0.011 0.000 0.202 316 K C 2.148 178.763 176.600 0.025 0.000 1.051 316 K CA 0.885 57.265 56.287 0.154 0.000 0.960 316 K CB -0.063 32.530 32.500 0.154 0.000 0.743 316 K HN 0.407 nan 8.250 nan 0.000 0.458 317 A N 1.831 124.624 122.820 -0.045 0.000 1.854 317 A HA -0.108 4.218 4.320 0.011 0.000 0.214 317 A C 2.024 179.527 177.584 -0.134 0.000 1.192 317 A CA 0.790 52.677 52.037 -0.250 0.000 0.611 317 A CB -0.524 18.302 19.000 -0.290 0.000 0.832 317 A HN 0.176 nan 8.150 nan 0.000 0.442 318 L N -0.079 121.161 121.223 0.028 0.000 2.017 318 L HA -0.138 4.208 4.340 0.011 0.000 0.208 318 L C 2.444 179.215 176.870 -0.164 0.000 1.073 318 L CA 2.203 56.977 54.840 -0.110 0.000 0.745 318 L CB -0.920 40.857 42.059 -0.470 0.000 0.894 318 L HN 0.500 nan 8.230 nan 0.000 0.432 319 R N -0.681 119.705 120.500 -0.190 0.000 2.159 319 R HA -0.193 4.154 4.340 0.011 0.000 0.237 319 R C 2.182 178.333 176.300 -0.247 0.000 1.131 319 R CA 1.649 57.577 56.100 -0.287 0.000 0.982 319 R CB -0.044 29.911 30.300 -0.576 0.000 0.868 319 R HN 0.427 nan 8.270 nan 0.000 0.453 320 M N -1.381 118.089 119.600 -0.217 0.000 2.287 320 M HA -0.065 4.421 4.480 0.011 0.000 0.266 320 M C 2.405 178.654 176.300 -0.084 0.000 1.079 320 M CA 1.142 56.262 55.300 -0.300 0.000 1.146 320 M CB 0.028 32.171 32.600 -0.761 0.000 1.374 320 M HN 0.085 nan 8.290 nan 0.000 0.435 321 S N -0.175 115.498 115.700 -0.044 0.000 2.357 321 S HA 0.143 4.619 4.470 0.011 0.000 0.221 321 S C 0.835 175.486 174.600 0.086 0.000 1.031 321 S CA 1.259 59.521 58.200 0.103 0.000 0.982 321 S CB -0.182 63.144 63.200 0.209 0.000 0.853 321 S HN 0.612 nan 8.310 nan 0.000 0.458 322 G N -1.470 107.336 108.800 0.010 0.000 2.801 322 G HA2 0.435 4.401 3.960 0.011 0.000 0.648 322 G HA3 0.435 4.401 3.960 0.011 0.000 0.648 322 G C -0.328 174.542 174.900 -0.050 0.000 1.415 322 G CA -0.454 44.638 45.100 -0.014 0.000 0.887 322 G HN 1.102 nan 8.290 nan 0.000 0.627 323 G N 0.226 108.974 108.800 -0.086 0.000 2.579 323 G HA2 0.612 4.579 3.960 0.011 0.000 0.292 323 G HA3 0.612 4.579 3.960 0.011 0.000 0.292 323 G C -0.330 174.516 174.900 -0.090 0.000 1.484 323 G CA 0.293 45.329 45.100 -0.106 0.000 0.813 323 G HN 0.396 nan 8.290 nan 0.000 0.515 324 D N -0.744 119.604 120.400 -0.087 0.000 2.379 324 D HA 0.145 4.791 4.640 0.011 0.000 0.218 324 D C 0.379 176.711 176.300 0.053 0.000 1.006 324 D CA 0.900 54.871 54.000 -0.048 0.000 0.893 324 D CB 0.317 41.059 40.800 -0.097 0.000 1.019 324 D HN 0.546 nan 8.370 nan 0.000 0.503 325 H N -0.757 118.246 119.070 -0.111 0.000 2.679 325 H HA 0.556 5.119 4.556 0.012 0.000 0.367 325 H C -0.962 174.245 175.328 -0.202 0.000 1.162 325 H CA -1.061 54.915 56.048 -0.120 0.000 1.181 325 H CB 2.836 32.580 29.762 -0.030 0.000 1.693 325 H HN -0.117 nan 8.280 nan 0.000 0.538 326 I N 1.143 121.664 120.570 -0.080 0.000 2.656 326 I HA 0.138 4.315 4.170 0.011 0.000 0.292 326 I C -0.872 175.179 176.117 -0.110 0.000 1.144 326 I CA -0.356 60.873 61.300 -0.118 0.000 1.038 326 I CB 1.503 39.460 38.000 -0.072 0.000 1.244 326 I HN 0.672 nan 8.210 nan 0.000 0.420 327 H N 5.225 124.176 119.070 -0.198 0.000 2.848 327 H HA 0.249 4.811 4.556 0.011 0.000 0.317 327 H C 0.130 175.345 175.328 -0.189 0.000 1.046 327 H CA 0.439 56.347 56.048 -0.233 0.000 1.470 327 H CB 1.063 30.596 29.762 -0.382 0.000 1.483 327 H HN 0.649 nan 8.280 nan 0.000 0.548 328 S N 2.327 117.969 115.700 -0.097 0.000 2.559 328 S HA 0.227 4.704 4.470 0.011 0.000 0.226 328 S C 1.018 175.586 174.600 -0.054 0.000 1.000 328 S CA 0.146 58.325 58.200 -0.036 0.000 0.948 328 S CB 0.948 64.277 63.200 0.215 0.000 0.870 328 S HN 1.089 nan 8.310 nan 0.000 0.497 329 G N 1.168 109.914 108.800 -0.089 0.000 2.660 329 G HA2 -0.145 3.822 3.960 0.011 0.000 0.215 329 G HA3 -0.145 3.822 3.960 0.011 0.000 0.215 329 G C -0.296 174.613 174.900 0.015 0.000 1.345 329 G CA -0.266 44.810 45.100 -0.040 0.000 0.877 329 G HN 0.334 nan 8.290 nan 0.000 0.549 330 T N -1.572 113.006 114.554 0.041 0.000 2.949 330 T HA 0.719 5.076 4.350 0.011 0.000 0.287 330 T C 1.474 176.216 174.700 0.069 0.000 1.034 330 T CA 0.855 62.990 62.100 0.058 0.000 1.018 330 T CB 1.552 70.431 68.868 0.018 0.000 1.135 330 T HN 1.816 nan 8.240 nan 0.000 0.532 331 V N 0.171 120.114 119.914 0.049 0.000 3.103 331 V HA 0.480 4.606 4.120 0.011 0.000 0.229 331 V C 1.081 177.122 176.094 -0.087 0.000 1.304 331 V CA -0.016 62.275 62.300 -0.014 0.000 1.298 331 V CB -0.223 31.572 31.823 -0.046 0.000 1.093 331 V HN 0.514 nan 8.190 nan 0.000 0.489 332 V N 2.763 122.592 119.914 -0.142 0.000 2.341 332 V HA 0.685 4.812 4.120 0.011 0.000 0.248 332 V C 1.019 176.936 176.094 -0.295 0.000 1.107 332 V CA 1.474 63.618 62.300 -0.261 0.000 1.069 332 V CB -0.368 31.247 31.823 -0.347 0.000 1.177 332 V HN 0.834 nan 8.190 nan 0.000 0.492 333 G N 5.967 114.662 108.800 -0.175 0.000 4.338 333 G HA2 -0.015 3.952 3.960 0.011 0.000 0.195 333 G HA3 -0.015 3.952 3.960 0.011 0.000 0.195 333 G C 0.119 174.981 174.900 -0.063 0.000 1.164 333 G CA -0.591 44.444 45.100 -0.107 0.000 0.872 333 G HN 0.478 nan 8.290 nan 0.000 0.301 334 K N 2.284 122.656 120.400 -0.047 0.000 2.300 334 K HA 0.574 4.901 4.320 0.011 0.000 0.264 334 K C -0.108 176.468 176.600 -0.039 0.000 1.083 334 K CA -0.237 56.036 56.287 -0.022 0.000 0.958 334 K CB 1.510 34.014 32.500 0.008 0.000 1.318 334 K HN 0.258 nan 8.250 nan 0.000 0.448 335 L N 0.694 121.891 121.223 -0.043 0.000 2.567 335 L HA 0.245 4.591 4.340 0.011 0.000 0.238 335 L C 1.015 177.855 176.870 -0.051 0.000 1.168 335 L CA -1.024 53.781 54.840 -0.057 0.000 0.817 335 L CB 0.220 42.242 42.059 -0.060 0.000 1.409 335 L HN 0.436 nan 8.230 nan 0.000 0.502 336 E N 0.696 120.861 120.200 -0.059 0.000 2.765 336 E HA 0.006 4.363 4.350 0.011 0.000 0.256 336 E C 0.662 177.236 176.600 -0.042 0.000 0.935 336 E CA 1.282 57.649 56.400 -0.056 0.000 0.954 336 E CB 0.428 30.095 29.700 -0.055 0.000 0.908 336 E HN 0.793 nan 8.360 nan 0.000 0.500 337 G N 4.606 113.379 108.800 -0.044 0.000 2.561 337 G HA2 -0.269 3.698 3.960 0.011 0.000 0.203 337 G HA3 -0.269 3.698 3.960 0.011 0.000 0.203 337 G C 1.004 175.888 174.900 -0.027 0.000 1.101 337 G CA 0.229 45.310 45.100 -0.032 0.000 0.711 337 G HN 0.470 nan 8.290 nan 0.000 0.511 338 E N 0.355 120.542 120.200 -0.022 0.000 2.250 338 E HA 0.311 4.668 4.350 0.011 0.000 0.192 338 E C 2.209 178.787 176.600 -0.036 0.000 0.986 338 E CA 0.602 56.999 56.400 -0.004 0.000 0.849 338 E CB -0.044 29.666 29.700 0.017 0.000 0.797 338 E HN 0.359 nan 8.360 nan 0.000 0.482 339 R N 1.010 121.468 120.500 -0.069 0.000 2.127 339 R HA -0.139 4.208 4.340 0.011 0.000 0.238 339 R C 1.023 177.235 176.300 -0.147 0.000 1.134 339 R CA 1.483 57.508 56.100 -0.125 0.000 0.975 339 R CB -0.257 29.967 30.300 -0.126 0.000 0.865 339 R HN 0.140 nan 8.270 nan 0.000 0.447 340 D N -0.701 119.639 120.400 -0.100 0.000 2.144 340 D HA -0.126 4.521 4.640 0.011 0.000 0.199 340 D C 1.434 177.681 176.300 -0.088 0.000 0.984 340 D CA 1.172 55.119 54.000 -0.089 0.000 0.834 340 D CB -0.027 40.741 40.800 -0.054 0.000 0.955 340 D HN 0.178 nan 8.370 nan 0.000 0.465 341 I N 0.259 120.794 120.570 -0.059 0.000 2.406 341 I HA -0.144 4.033 4.170 0.011 0.000 0.249 341 I C 2.265 178.209 176.117 -0.290 0.000 1.122 341 I CA 0.970 62.263 61.300 -0.012 0.000 1.431 341 I CB -0.633 37.457 38.000 0.150 0.000 1.087 341 I HN -0.083 nan 8.210 nan 0.000 0.424 342 T N 1.066 115.341 114.554 -0.465 0.000 2.635 342 T HA -0.184 4.172 4.350 0.011 0.000 0.267 342 T C 1.971 176.265 174.700 -0.676 0.000 1.040 342 T CA 1.519 63.071 62.100 -0.913 0.000 1.156 342 T CB -0.417 68.191 68.868 -0.433 0.000 0.863 342 T HN 0.247 nan 8.240 nan 0.000 0.430 343 L N 0.471 121.472 121.223 -0.371 0.000 2.201 343 L HA 0.001 4.348 4.340 0.011 0.000 0.212 343 L C 2.913 179.697 176.870 -0.142 0.000 1.105 343 L CA 1.058 55.752 54.840 -0.243 0.000 0.775 343 L CB -0.890 41.052 42.059 -0.195 0.000 0.913 343 L HN 0.383 nan 8.230 nan 0.000 0.440 344 G N 0.914 109.642 108.800 -0.120 0.000 2.402 344 G HA2 -0.293 3.674 3.960 0.011 0.000 0.216 344 G HA3 -0.293 3.674 3.960 0.011 0.000 0.216 344 G C 1.274 176.254 174.900 0.135 0.000 1.162 344 G CA 0.855 45.972 45.100 0.028 0.000 0.777 344 G HN 0.478 nan 8.290 nan 0.000 0.539 345 F N 0.174 120.240 119.950 0.193 0.000 2.569 345 F HA 0.310 4.843 4.527 0.011 0.000 0.295 345 F C 2.230 178.150 175.800 0.202 0.000 1.115 345 F CA -0.212 57.918 58.000 0.217 0.000 1.450 345 F CB -0.804 38.360 39.000 0.274 0.000 1.107 345 F HN -0.046 nan 8.300 nan 0.000 0.563 346 V N 1.696 121.744 119.914 0.225 0.000 2.282 346 V HA -0.323 3.804 4.120 0.011 0.000 0.249 346 V C 2.082 178.294 176.094 0.196 0.000 1.057 346 V CA 2.462 64.912 62.300 0.249 0.000 1.032 346 V CB -0.721 31.213 31.823 0.185 0.000 0.645 346 V HN 0.254 nan 8.190 nan 0.000 0.447 347 D N 0.019 120.512 120.400 0.155 0.000 2.104 347 D HA -0.159 4.487 4.640 0.011 0.000 0.194 347 D C 2.115 178.547 176.300 0.221 0.000 0.994 347 D CA 1.225 55.320 54.000 0.158 0.000 0.830 347 D CB -0.448 40.431 40.800 0.132 0.000 0.959 347 D HN 0.329 nan 8.370 nan 0.000 0.452 348 L N 0.124 121.511 121.223 0.273 0.000 2.129 348 L HA -0.181 4.166 4.340 0.011 0.000 0.212 348 L C 2.405 179.489 176.870 0.357 0.000 1.087 348 L CA 0.697 55.766 54.840 0.382 0.000 0.757 348 L CB -0.268 42.016 42.059 0.374 0.000 0.896 348 L HN 0.097 nan 8.230 nan 0.000 0.434 349 L N -1.066 120.281 121.223 0.207 0.000 2.023 349 L HA -0.138 4.209 4.340 0.011 0.000 0.205 349 L C 2.708 179.540 176.870 -0.064 0.000 1.073 349 L CA 1.212 56.072 54.840 0.034 0.000 0.745 349 L CB -0.404 41.711 42.059 0.095 0.000 0.900 349 L HN 0.168 nan 8.230 nan 0.000 0.435 350 R N -0.676 119.850 120.500 0.043 0.000 2.173 350 R HA 0.054 4.401 4.340 0.011 0.000 0.208 350 R C -0.191 176.136 176.300 0.045 0.000 1.035 350 R CA 0.266 56.384 56.100 0.029 0.000 1.004 350 R CB 0.044 30.388 30.300 0.073 0.000 0.917 350 R HN 0.296 nan 8.270 nan 0.000 0.462 351 D N 0.045 120.516 120.400 0.118 0.000 2.229 351 D HA 0.021 4.668 4.640 0.011 0.000 0.249 351 D C 0.180 176.661 176.300 0.301 0.000 1.027 351 D CA -0.251 53.861 54.000 0.187 0.000 0.923 351 D CB 1.546 42.474 40.800 0.212 0.000 1.174 351 D HN -0.136 nan 8.370 nan 0.000 0.443 352 D N -0.301 120.269 120.400 0.282 0.000 2.277 352 D HA -0.031 4.615 4.640 0.011 0.000 0.208 352 D C -0.568 176.016 176.300 0.473 0.000 0.962 352 D CA 0.469 54.676 54.000 0.346 0.000 0.865 352 D CB 0.215 41.152 40.800 0.228 0.000 0.939 352 D HN 0.214 nan 8.370 nan 0.000 0.510 353 F N 0.122 120.195 119.950 0.204 0.000 2.689 353 F HA 0.371 4.904 4.527 0.011 0.000 0.332 353 F C -1.784 174.084 175.800 0.112 0.000 1.209 353 F CA -0.914 57.157 58.000 0.119 0.000 1.028 353 F CB 1.367 40.416 39.000 0.081 0.000 1.291 353 F HN -0.364 nan 8.300 nan 0.000 0.500 354 V N 5.844 125.623 119.914 -0.224 0.000 2.304 354 V HA 0.294 4.421 4.120 0.011 0.000 0.278 354 V C -0.420 175.468 176.094 -0.344 0.000 1.018 354 V CA -0.695 61.535 62.300 -0.118 0.000 0.814 354 V CB 1.018 32.864 31.823 0.038 0.000 1.021 354 V HN 0.749 nan 8.190 nan 0.000 0.440 355 E N 3.341 123.364 120.200 -0.295 0.000 2.392 355 E HA 0.306 4.663 4.350 0.011 0.000 0.259 355 E C 0.146 176.708 176.600 -0.063 0.000 1.108 355 E CA -0.705 55.560 56.400 -0.225 0.000 0.916 355 E CB 0.494 30.240 29.700 0.076 0.000 0.989 355 E HN 0.540 nan 8.360 nan 0.000 0.432 356 Q N 1.448 121.223 119.800 -0.041 0.000 2.478 356 Q HA -0.030 4.317 4.340 0.011 0.000 0.323 356 Q C -1.304 174.686 176.000 -0.016 0.000 1.087 356 Q CA 1.052 56.847 55.803 -0.013 0.000 1.056 356 Q CB 0.100 28.837 28.738 -0.001 0.000 1.018 356 Q HN 0.581 nan 8.270 nan 0.000 0.387 357 D N 3.972 124.357 120.400 -0.026 0.000 2.411 357 D HA 0.168 4.814 4.640 0.011 0.000 0.239 357 D C -0.330 175.923 176.300 -0.079 0.000 1.307 357 D CA -0.290 53.687 54.000 -0.037 0.000 0.930 357 D CB 0.327 41.123 40.800 -0.007 0.000 1.395 357 D HN 0.685 nan 8.370 nan 0.000 0.536 358 R N 0.728 121.142 120.500 -0.144 0.000 2.339 358 R HA 0.009 4.356 4.340 0.011 0.000 0.199 358 R C 1.359 177.544 176.300 -0.192 0.000 1.018 358 R CA 0.721 56.662 56.100 -0.265 0.000 1.036 358 R CB 0.272 30.361 30.300 -0.350 0.000 0.899 358 R HN 0.328 nan 8.270 nan 0.000 0.473 359 S N -0.397 115.240 115.700 -0.105 0.000 2.470 359 S HA 0.040 4.516 4.470 0.011 0.000 0.222 359 S C 1.559 176.132 174.600 -0.044 0.000 1.024 359 S CA -0.004 58.152 58.200 -0.073 0.000 0.931 359 S CB 0.167 63.335 63.200 -0.053 0.000 0.791 359 S HN 0.247 nan 8.310 nan 0.000 0.513 360 R N 1.173 121.658 120.500 -0.025 0.000 2.334 360 R HA 0.280 4.627 4.340 0.011 0.000 0.220 360 R C 1.084 177.424 176.300 0.066 0.000 0.917 360 R CA 0.425 56.529 56.100 0.006 0.000 1.073 360 R CB -0.060 30.244 30.300 0.005 0.000 1.056 360 R HN 0.580 nan 8.270 nan 0.000 0.506 361 G N 1.706 110.539 108.800 0.055 0.000 2.136 361 G HA2 -0.256 3.711 3.960 0.011 0.000 0.242 361 G HA3 -0.256 3.711 3.960 0.011 0.000 0.242 361 G C 0.087 175.161 174.900 0.290 0.000 0.989 361 G CA -0.334 44.870 45.100 0.175 0.000 0.682 361 G HN 0.269 nan 8.290 nan 0.000 0.522 362 I N 0.921 121.586 120.570 0.157 0.000 2.291 362 I HA 0.303 4.479 4.170 0.011 0.000 0.292 362 I C 1.105 177.309 176.117 0.144 0.000 1.064 362 I CA -0.897 60.514 61.300 0.186 0.000 1.269 362 I CB 0.466 38.526 38.000 0.099 0.000 1.418 362 I HN 0.058 nan 8.210 nan 0.000 0.485 363 Y N 5.559 125.809 120.300 -0.083 0.000 2.511 363 Y HA 0.227 4.784 4.550 0.011 0.000 0.279 363 Y C -0.010 175.606 175.900 -0.473 0.000 1.157 363 Y CA -0.085 57.834 58.100 -0.301 0.000 1.300 363 Y CB -0.197 37.964 38.460 -0.499 0.000 1.052 363 Y HN 0.301 nan 8.280 nan 0.000 0.529 364 F N -2.104 117.967 119.950 0.200 0.000 2.619 364 F HA 0.367 4.901 4.527 0.011 0.000 0.308 364 F C 0.265 176.046 175.800 -0.032 0.000 1.097 364 F CA -1.749 56.302 58.000 0.085 0.000 0.953 364 F CB 0.805 39.858 39.000 0.088 0.000 1.287 364 F HN -0.473 nan 8.300 nan 0.000 0.446 365 T N 2.213 116.809 114.554 0.071 0.000 2.932 365 T HA 0.150 4.506 4.350 0.011 0.000 0.312 365 T C -0.474 174.078 174.700 -0.247 0.000 1.071 365 T CA -0.144 61.855 62.100 -0.169 0.000 1.128 365 T CB 0.335 69.083 68.868 -0.200 0.000 0.984 365 T HN 0.358 nan 8.240 nan 0.000 0.549 366 Q N 1.813 121.327 119.800 -0.478 0.000 2.274 366 Q HA 0.229 4.576 4.340 0.011 0.000 0.268 366 Q C -1.549 174.087 176.000 -0.607 0.000 1.015 366 Q CA -0.589 54.907 55.803 -0.512 0.000 0.775 366 Q CB 2.234 30.629 28.738 -0.572 0.000 1.256 366 Q HN 0.601 nan 8.270 nan 0.000 0.442 367 D N 1.864 122.051 120.400 -0.356 0.000 2.427 367 D HA 0.183 4.830 4.640 0.011 0.000 0.226 367 D C -0.101 176.197 176.300 -0.004 0.000 1.076 367 D CA -0.214 53.797 54.000 0.018 0.000 0.849 367 D CB 0.412 41.376 40.800 0.274 0.000 1.052 367 D HN 0.498 nan 8.370 nan 0.000 0.515 368 W N 3.205 124.560 121.300 0.093 0.000 3.204 368 W HA -0.002 4.665 4.660 0.011 0.000 0.249 368 W C 1.265 177.820 176.519 0.060 0.000 1.322 368 W CA -0.348 57.028 57.345 0.052 0.000 1.593 368 W CB -0.009 29.477 29.460 0.042 0.000 1.122 368 W HN 0.378 nan 8.180 nan 0.000 0.710 369 V N -0.442 119.643 119.914 0.285 0.000 5.114 369 V HA -0.408 3.719 4.120 0.011 0.000 0.239 369 V C 0.620 176.805 176.094 0.152 0.000 0.680 369 V CA 0.834 63.247 62.300 0.189 0.000 0.660 369 V CB -2.502 29.409 31.823 0.146 0.000 0.454 369 V HN 0.436 nan 8.190 nan 0.000 0.752 370 S N -2.704 113.090 115.700 0.156 0.000 3.696 370 S HA -0.164 4.313 4.470 0.011 0.000 0.302 370 S C 0.071 174.705 174.600 0.057 0.000 1.182 370 S CA 0.676 58.933 58.200 0.096 0.000 0.857 370 S CB -1.248 61.993 63.200 0.069 0.000 0.960 370 S HN 1.516 nan 8.310 nan 0.000 0.559 371 L N 3.342 124.602 121.223 0.062 0.000 2.380 371 L HA 0.435 4.782 4.340 0.011 0.000 0.273 371 L C -1.719 175.082 176.870 -0.115 0.000 1.138 371 L CA -1.233 53.588 54.840 -0.032 0.000 0.832 371 L CB 0.015 42.039 42.059 -0.059 0.000 1.124 371 L HN -0.066 nan 8.230 nan 0.000 0.454 372 P HA 0.150 nan 4.420 nan 0.000 0.269 372 P C -0.333 176.854 177.300 -0.188 0.000 1.215 372 P CA -0.261 62.776 63.100 -0.106 0.000 0.780 372 P CB 0.379 32.036 31.700 -0.071 0.000 0.898 373 G N 0.532 109.252 108.800 -0.133 0.000 2.476 373 G HA2 0.473 4.439 3.960 0.011 0.000 0.286 373 G HA3 0.473 4.439 3.960 0.011 0.000 0.286 373 G C -0.805 174.032 174.900 -0.105 0.000 1.177 373 G CA -0.438 44.571 45.100 -0.152 0.000 0.870 373 G HN 0.340 nan 8.290 nan 0.000 0.528 374 V N 1.350 121.200 119.914 -0.107 0.000 2.513 374 V HA 0.301 4.428 4.120 0.011 0.000 0.299 374 V C -0.247 175.840 176.094 -0.012 0.000 1.035 374 V CA -0.847 61.417 62.300 -0.059 0.000 0.889 374 V CB 1.671 33.433 31.823 -0.101 0.000 0.988 374 V HN 0.578 nan 8.190 nan 0.000 0.440 375 L N 8.376 129.610 121.223 0.019 0.000 2.315 375 L HA 0.425 4.772 4.340 0.011 0.000 0.283 375 L C -2.021 174.803 176.870 -0.077 0.000 1.089 375 L CA -1.639 53.193 54.840 -0.014 0.000 0.833 375 L CB 0.864 42.923 42.059 0.000 0.000 1.170 375 L HN 0.435 nan 8.230 nan 0.000 0.442 376 P HA -0.026 nan 4.420 nan 0.000 0.263 376 P C -0.862 176.225 177.300 -0.355 0.000 1.195 376 P CA 0.087 63.087 63.100 -0.167 0.000 0.762 376 P CB 0.589 32.222 31.700 -0.111 0.000 0.799 377 V N 3.849 123.524 119.914 -0.399 0.000 2.347 377 V HA 0.440 4.567 4.120 0.011 0.000 0.280 377 V C 0.753 176.530 176.094 -0.528 0.000 1.021 377 V CA -0.715 61.272 62.300 -0.521 0.000 0.847 377 V CB 0.982 32.376 31.823 -0.716 0.000 0.990 377 V HN 0.658 nan 8.190 nan 0.000 0.444 378 A N 4.684 127.165 122.820 -0.565 0.000 2.309 378 A HA 0.856 5.183 4.320 0.011 0.000 0.298 378 A C 0.257 177.660 177.584 -0.301 0.000 1.165 378 A CA -0.244 51.521 52.037 -0.453 0.000 0.821 378 A CB 0.654 19.335 19.000 -0.532 0.000 1.102 378 A HN 1.112 nan 8.150 nan 0.000 0.500 379 S N 0.403 116.013 115.700 -0.150 0.000 2.533 379 S HA 0.805 5.282 4.470 0.011 0.000 0.271 379 S C -0.291 174.306 174.600 -0.005 0.000 1.143 379 S CA -0.218 57.938 58.200 -0.072 0.000 0.891 379 S CB 1.030 64.276 63.200 0.077 0.000 1.105 379 S HN 2.631 nan 8.310 nan 0.000 0.468 380 G N 0.051 108.865 108.800 0.023 0.000 3.190 380 G HA2 0.425 4.392 3.960 0.011 0.000 0.686 380 G HA3 0.425 4.392 3.960 0.011 0.000 0.686 380 G C 0.914 175.880 174.900 0.111 0.000 1.033 380 G CA 0.305 45.452 45.100 0.078 0.000 0.797 380 G HN 2.515 nan 8.290 nan 0.000 0.567 381 G N 0.315 109.221 108.800 0.178 0.000 2.225 381 G HA2 -0.181 3.785 3.960 0.011 0.000 0.254 381 G HA3 -0.181 3.785 3.960 0.011 0.000 0.254 381 G C 0.662 175.801 174.900 0.398 0.000 0.988 381 G CA 0.784 46.043 45.100 0.266 0.000 0.625 381 G HN 1.707 nan 8.290 nan 0.000 0.527 382 I N 2.758 123.522 120.570 0.324 0.000 2.532 382 I HA 0.634 4.811 4.170 0.011 0.000 0.292 382 I C 0.842 177.234 176.117 0.459 0.000 1.014 382 I CA -0.596 60.905 61.300 0.335 0.000 1.340 382 I CB 0.982 39.137 38.000 0.258 0.000 1.422 382 I HN 0.455 nan 8.210 nan 0.000 0.528 383 H N 2.469 121.687 119.070 0.247 0.000 2.876 383 H HA 0.111 4.674 4.556 0.011 0.000 0.284 383 H C 0.398 175.666 175.328 -0.101 0.000 1.445 383 H CA -0.603 55.443 56.048 -0.005 0.000 1.141 383 H CB 1.040 30.792 29.762 -0.016 0.000 1.816 383 H HN 0.329 nan 8.280 nan 0.000 0.511 384 V N -1.450 118.411 119.914 -0.088 0.000 2.594 384 V HA -0.171 3.955 4.120 0.011 0.000 0.253 384 V C 1.709 177.854 176.094 0.085 0.000 1.069 384 V CA 1.682 63.871 62.300 -0.184 0.000 1.082 384 V CB -1.466 30.039 31.823 -0.530 0.000 0.680 384 V HN 0.772 nan 8.190 nan 0.000 0.469 385 W N -0.668 120.900 121.300 0.447 0.000 3.096 385 W HA 0.185 4.852 4.660 0.011 0.000 0.241 385 W C 1.711 178.517 176.519 0.478 0.000 1.316 385 W CA -0.126 57.618 57.345 0.664 0.000 1.520 385 W CB -1.182 28.807 29.460 0.881 0.000 1.128 385 W HN 0.325 nan 8.180 nan 0.000 0.707 386 H N 0.068 119.357 119.070 0.365 0.000 2.482 386 H HA -0.060 4.502 4.556 0.011 0.000 0.286 386 H C 2.165 177.595 175.328 0.169 0.000 1.017 386 H CA 0.795 56.930 56.048 0.145 0.000 1.322 386 H CB 0.097 29.884 29.762 0.042 0.000 1.426 386 H HN 0.108 nan 8.280 nan 0.000 0.546 387 M N 1.648 121.433 119.600 0.309 0.000 2.088 387 M HA -0.107 4.379 4.480 0.011 0.000 0.256 387 M C -1.083 175.331 176.300 0.190 0.000 1.071 387 M CA 1.819 57.254 55.300 0.225 0.000 1.097 387 M CB -0.721 31.960 32.600 0.136 0.000 1.315 387 M HN 0.084 nan 8.290 nan 0.000 0.406 388 P HA -0.018 nan 4.420 nan 0.000 0.216 388 P C 1.101 178.473 177.300 0.120 0.000 1.153 388 P CA 2.079 65.267 63.100 0.147 0.000 0.844 388 P CB -0.325 31.472 31.700 0.161 0.000 0.787 389 A N -0.268 122.623 122.820 0.118 0.000 1.858 389 A HA -0.166 4.161 4.320 0.011 0.000 0.216 389 A C 2.245 179.863 177.584 0.057 0.000 1.190 389 A CA 1.455 53.526 52.037 0.057 0.000 0.617 389 A CB -1.690 17.318 19.000 0.014 0.000 0.827 389 A HN 0.068 nan 8.150 nan 0.000 0.443 390 L N -0.791 120.504 121.223 0.120 0.000 1.989 390 L HA -0.200 4.146 4.340 0.011 0.000 0.211 390 L C 2.798 179.805 176.870 0.228 0.000 1.071 390 L CA 2.019 56.986 54.840 0.211 0.000 0.749 390 L CB -1.229 40.964 42.059 0.222 0.000 0.890 390 L HN 0.350 nan 8.230 nan 0.000 0.431 391 T N -1.068 113.588 114.554 0.170 0.000 2.778 391 T HA -0.251 4.106 4.350 0.011 0.000 0.269 391 T C 1.797 176.561 174.700 0.107 0.000 1.050 391 T CA 1.589 63.773 62.100 0.140 0.000 1.137 391 T CB -0.133 68.806 68.868 0.118 0.000 0.860 391 T HN 0.373 nan 8.240 nan 0.000 0.468 392 E N 0.077 120.319 120.200 0.070 0.000 2.166 392 E HA -0.043 4.314 4.350 0.011 0.000 0.192 392 E C 2.020 178.594 176.600 -0.043 0.000 0.967 392 E CA 0.346 56.759 56.400 0.022 0.000 0.840 392 E CB 0.124 29.833 29.700 0.014 0.000 0.795 392 E HN 0.314 nan 8.360 nan 0.000 0.470 393 I N 0.580 121.081 120.570 -0.115 0.000 2.202 393 I HA -0.183 3.994 4.170 0.011 0.000 0.242 393 I C 2.052 177.907 176.117 -0.436 0.000 1.091 393 I CA 1.232 62.316 61.300 -0.360 0.000 1.368 393 I CB -1.293 36.332 38.000 -0.625 0.000 1.058 393 I HN 0.090 nan 8.210 nan 0.000 0.410 394 F N 0.401 120.341 119.950 -0.017 0.000 2.374 394 F HA 0.397 4.930 4.527 0.011 0.000 0.291 394 F C 1.834 177.635 175.800 0.002 0.000 1.084 394 F CA 0.690 58.682 58.000 -0.013 0.000 1.413 394 F CB -0.894 38.093 39.000 -0.022 0.000 1.099 394 F HN 0.237 nan 8.300 nan 0.000 0.534 395 G N 0.575 109.485 108.800 0.183 0.000 2.642 395 G HA2 -0.290 3.677 3.960 0.011 0.000 0.231 395 G HA3 -0.290 3.677 3.960 0.011 0.000 0.231 395 G C 0.363 175.334 174.900 0.119 0.000 1.338 395 G CA 0.074 45.246 45.100 0.121 0.000 0.883 395 G HN 0.138 nan 8.290 nan 0.000 0.570 396 D N 0.446 120.900 120.400 0.090 0.000 2.123 396 D HA -0.022 4.625 4.640 0.011 0.000 0.196 396 D C 1.213 177.552 176.300 0.066 0.000 0.992 396 D CA 1.598 55.643 54.000 0.076 0.000 0.833 396 D CB -0.167 40.678 40.800 0.075 0.000 0.954 396 D HN 0.384 nan 8.370 nan 0.000 0.455 397 D N 0.333 120.779 120.400 0.076 0.000 2.845 397 D HA 0.145 4.792 4.640 0.011 0.000 0.235 397 D C -0.146 176.166 176.300 0.021 0.000 1.158 397 D CA 0.022 54.056 54.000 0.056 0.000 0.990 397 D CB -0.162 40.680 40.800 0.070 0.000 1.094 397 D HN 0.039 nan 8.370 nan 0.000 0.486 398 S N -1.851 113.832 115.700 -0.027 0.000 2.656 398 S HA 0.647 5.123 4.470 0.011 0.000 0.273 398 S C -0.788 173.707 174.600 -0.175 0.000 1.168 398 S CA -0.898 57.215 58.200 -0.144 0.000 0.817 398 S CB 1.936 65.021 63.200 -0.192 0.000 1.146 398 S HN -0.118 nan 8.310 nan 0.000 0.475 399 V N 1.620 121.364 119.914 -0.284 0.000 2.409 399 V HA 0.450 4.577 4.120 0.011 0.000 0.291 399 V C -0.897 175.024 176.094 -0.290 0.000 1.020 399 V CA -0.614 61.544 62.300 -0.237 0.000 0.848 399 V CB 1.135 32.772 31.823 -0.310 0.000 0.990 399 V HN 0.773 nan 8.190 nan 0.000 0.430 400 L N 4.849 125.936 121.223 -0.225 0.000 2.255 400 L HA 0.551 4.897 4.340 0.011 0.000 0.289 400 L C -0.178 176.400 176.870 -0.487 0.000 1.046 400 L CA -0.348 54.268 54.840 -0.373 0.000 0.816 400 L CB 1.211 43.162 42.059 -0.180 0.000 1.197 400 L HN 0.577 nan 8.230 nan 0.000 0.427 401 Q N 3.648 123.100 119.800 -0.580 0.000 2.400 401 Q HA 0.484 4.831 4.340 0.011 0.000 0.255 401 Q C -1.450 174.274 176.000 -0.461 0.000 1.008 401 Q CA -0.102 55.489 55.803 -0.353 0.000 0.841 401 Q CB 0.765 29.414 28.738 -0.148 0.000 1.220 401 Q HN 0.332 nan 8.270 nan 0.000 0.474 402 F N 1.565 121.535 119.950 0.034 0.000 2.450 402 F HA 0.650 5.183 4.527 0.011 0.000 0.332 402 F C 1.181 177.008 175.800 0.045 0.000 1.093 402 F CA -0.403 57.623 58.000 0.044 0.000 1.003 402 F CB 2.020 41.033 39.000 0.023 0.000 1.151 402 F HN 0.658 nan 8.300 nan 0.000 0.474 403 G N 0.997 109.934 108.800 0.229 0.000 2.728 403 G HA2 0.193 4.159 3.960 0.011 0.000 0.223 403 G HA3 0.193 4.159 3.960 0.011 0.000 0.223 403 G C 1.580 176.563 174.900 0.139 0.000 1.379 403 G CA 0.446 45.637 45.100 0.151 0.000 0.870 403 G HN 0.835 nan 8.290 nan 0.000 0.591 404 G N 0.686 109.575 108.800 0.149 0.000 2.421 404 G HA2 0.159 4.125 3.960 0.011 0.000 0.217 404 G HA3 0.159 4.125 3.960 0.011 0.000 0.217 404 G C 1.763 176.736 174.900 0.123 0.000 1.143 404 G CA 1.378 46.549 45.100 0.118 0.000 0.784 404 G HN 0.660 nan 8.290 nan 0.000 0.541 405 G N 0.087 109.014 108.800 0.211 0.000 2.517 405 G HA2 -0.128 3.838 3.960 0.011 0.000 0.222 405 G HA3 -0.128 3.838 3.960 0.011 0.000 0.222 405 G C 1.603 176.449 174.900 -0.089 0.000 1.109 405 G CA 1.930 47.100 45.100 0.116 0.000 0.746 405 G HN 0.442 nan 8.290 nan 0.000 0.576 406 T N 0.007 114.557 114.554 -0.006 0.000 3.234 406 T HA 0.139 4.495 4.350 0.011 0.000 0.235 406 T C 2.185 176.877 174.700 -0.013 0.000 0.971 406 T CA 0.110 62.170 62.100 -0.068 0.000 1.292 406 T CB -0.308 68.544 68.868 -0.027 0.000 0.994 406 T HN 0.012 nan 8.240 nan 0.000 0.412 407 L N 1.624 122.859 121.223 0.020 0.000 2.129 407 L HA 0.052 4.399 4.340 0.011 0.000 0.212 407 L C 2.213 179.102 176.870 0.032 0.000 1.087 407 L CA 1.491 56.342 54.840 0.018 0.000 0.757 407 L CB -0.665 41.404 42.059 0.018 0.000 0.896 407 L HN 0.440 nan 8.230 nan 0.000 0.434 408 G N -2.453 106.369 108.800 0.037 0.000 3.424 408 G HA2 -0.072 3.894 3.960 0.011 0.000 0.263 408 G HA3 -0.072 3.894 3.960 0.011 0.000 0.263 408 G C 0.239 175.151 174.900 0.019 0.000 1.310 408 G CA -0.275 44.840 45.100 0.025 0.000 1.089 408 G HN 0.310 nan 8.290 nan 0.000 0.534 409 H N 0.827 119.853 119.070 -0.073 0.000 2.620 409 H HA 0.169 4.731 4.556 0.011 0.000 0.313 409 H C -1.338 173.958 175.328 -0.053 0.000 1.075 409 H CA -1.567 54.411 56.048 -0.117 0.000 1.397 409 H CB 1.977 31.642 29.762 -0.161 0.000 1.446 409 H HN -0.084 nan 8.280 nan 0.000 0.493 410 P HA -0.275 nan 4.420 nan 0.000 0.232 410 P C 0.438 177.855 177.300 0.195 0.000 1.135 410 P CA 1.898 64.905 63.100 -0.154 0.000 0.969 410 P CB -0.042 31.401 31.700 -0.427 0.000 0.777 411 W N -1.039 120.269 121.300 0.014 0.000 3.330 411 W HA 0.543 5.210 4.660 0.011 0.000 0.348 411 W C 1.252 177.840 176.519 0.115 0.000 1.205 411 W CA 0.516 57.934 57.345 0.121 0.000 1.841 411 W CB -0.997 28.567 29.460 0.174 0.000 1.084 411 W HN 0.103 nan 8.180 nan 0.000 0.665 412 G N 1.212 110.189 108.800 0.296 0.000 2.725 412 G HA2 -0.371 3.596 3.960 0.011 0.000 0.220 412 G HA3 -0.371 3.596 3.960 0.011 0.000 0.220 412 G C 0.815 175.758 174.900 0.071 0.000 1.357 412 G CA 0.106 45.289 45.100 0.138 0.000 0.866 412 G HN 0.169 nan 8.290 nan 0.000 0.548 413 N N -0.085 118.615 118.700 -0.000 0.000 2.037 413 N HA -0.044 4.702 4.740 0.011 0.000 0.196 413 N C 2.829 178.268 175.510 -0.118 0.000 1.034 413 N CA 3.446 56.458 53.050 -0.063 0.000 0.861 413 N CB -0.247 38.194 38.487 -0.077 0.000 1.039 413 N HN 1.033 nan 8.380 nan 0.000 0.427 414 A N 0.681 123.428 122.820 -0.121 0.000 1.855 414 A HA 0.019 4.345 4.320 0.011 0.000 0.215 414 A C -0.164 177.321 177.584 -0.165 0.000 1.191 414 A CA 1.130 53.081 52.037 -0.144 0.000 0.613 414 A CB -1.459 17.461 19.000 -0.133 0.000 0.829 414 A HN 0.148 nan 8.150 nan 0.000 0.442 415 P HA -0.205 nan 4.420 nan 0.000 0.217 415 P C 1.710 178.533 177.300 -0.795 0.000 1.158 415 P CA 2.148 65.059 63.100 -0.315 0.000 0.887 415 P CB -0.303 31.403 31.700 0.011 0.000 0.792 416 G N -0.756 107.594 108.800 -0.749 0.000 2.422 416 G HA2 -0.255 3.712 3.960 0.011 0.000 0.218 416 G HA3 -0.255 3.712 3.960 0.011 0.000 0.218 416 G C 1.561 176.219 174.900 -0.403 0.000 1.146 416 G CA 0.980 45.712 45.100 -0.613 0.000 0.769 416 G HN 0.337 nan 8.290 nan 0.000 0.547 417 A N 0.404 123.054 122.820 -0.283 0.000 1.835 417 A HA 0.038 4.364 4.320 0.011 0.000 0.215 417 A C 2.610 180.057 177.584 -0.228 0.000 1.199 417 A CA 2.043 53.953 52.037 -0.212 0.000 0.615 417 A CB -0.947 17.959 19.000 -0.156 0.000 0.838 417 A HN 0.320 nan 8.150 nan 0.000 0.444 418 V N 0.241 120.024 119.914 -0.218 0.000 2.277 418 V HA -0.367 3.760 4.120 0.011 0.000 0.253 418 V C 3.030 178.969 176.094 -0.257 0.000 1.067 418 V CA 2.386 64.569 62.300 -0.195 0.000 1.047 418 V CB -1.554 30.167 31.823 -0.170 0.000 0.649 418 V HN 0.657 nan 8.190 nan 0.000 0.447 419 A N 0.318 122.914 122.820 -0.372 0.000 1.883 419 A HA -0.239 4.088 4.320 0.011 0.000 0.217 419 A C 2.111 179.467 177.584 -0.380 0.000 1.186 419 A CA 2.121 53.910 52.037 -0.414 0.000 0.624 419 A CB -0.649 18.032 19.000 -0.531 0.000 0.822 419 A HN 0.654 nan 8.150 nan 0.000 0.444 420 N N -0.822 117.634 118.700 -0.408 0.000 2.216 420 N HA -0.136 4.610 4.740 0.011 0.000 0.183 420 N C 1.928 177.289 175.510 -0.248 0.000 1.017 420 N CA 1.343 54.119 53.050 -0.458 0.000 0.861 420 N CB -0.296 37.726 38.487 -0.775 0.000 0.986 420 N HN 0.463 nan 8.380 nan 0.000 0.428 421 R N 2.097 122.486 120.500 -0.185 0.000 2.088 421 R HA -0.115 4.231 4.340 0.011 0.000 0.232 421 R C 2.313 178.580 176.300 -0.055 0.000 1.136 421 R CA 1.860 57.905 56.100 -0.092 0.000 0.926 421 R CB -1.109 29.137 30.300 -0.090 0.000 0.837 421 R HN 0.164 nan 8.270 nan 0.000 0.429 422 V N -0.736 119.141 119.914 -0.061 0.000 2.490 422 V HA -0.075 4.051 4.120 0.011 0.000 0.250 422 V C 2.151 178.255 176.094 0.016 0.000 1.061 422 V CA 1.956 64.278 62.300 0.037 0.000 1.064 422 V CB -1.300 30.533 31.823 0.018 0.000 0.670 422 V HN 0.419 nan 8.190 nan 0.000 0.461 423 A N 0.642 123.400 122.820 -0.103 0.000 1.908 423 A HA -0.165 4.161 4.320 0.011 0.000 0.218 423 A C 2.197 179.776 177.584 -0.008 0.000 1.181 423 A CA 2.343 54.321 52.037 -0.098 0.000 0.627 423 A CB -0.719 18.159 19.000 -0.202 0.000 0.818 423 A HN 0.688 nan 8.150 nan 0.000 0.445 424 L N -0.215 121.009 121.223 0.001 0.000 2.072 424 L HA -0.061 4.285 4.340 0.011 0.000 0.205 424 L C 2.124 179.028 176.870 0.057 0.000 1.079 424 L CA 2.280 57.148 54.840 0.047 0.000 0.752 424 L CB -0.596 41.493 42.059 0.051 0.000 0.906 424 L HN 0.489 nan 8.230 nan 0.000 0.436 425 E N -0.496 119.739 120.200 0.057 0.000 2.204 425 E HA -0.165 4.192 4.350 0.011 0.000 0.194 425 E C 2.126 178.775 176.600 0.082 0.000 0.989 425 E CA 0.861 57.301 56.400 0.066 0.000 0.824 425 E CB -0.175 29.566 29.700 0.068 0.000 0.756 425 E HN 0.663 nan 8.360 nan 0.000 0.477 426 A N 0.801 123.692 122.820 0.117 0.000 1.858 426 A HA -0.196 4.131 4.320 0.011 0.000 0.216 426 A C 2.428 180.068 177.584 0.095 0.000 1.190 426 A CA 1.183 53.300 52.037 0.132 0.000 0.617 426 A CB -0.889 18.215 19.000 0.174 0.000 0.827 426 A HN 0.369 nan 8.150 nan 0.000 0.443 427 C N -1.114 118.238 119.300 0.087 0.000 2.403 427 C HA -0.076 4.390 4.460 0.011 0.000 0.279 427 C C 2.729 177.762 174.990 0.072 0.000 1.269 427 C CA 1.091 60.159 59.018 0.085 0.000 1.774 427 C CB -1.364 26.431 27.740 0.092 0.000 1.993 427 C HN 0.454 nan 8.230 nan 0.000 0.496 428 V N 0.593 120.546 119.914 0.065 0.000 2.270 428 V HA -0.209 3.917 4.120 0.011 0.000 0.245 428 V C 2.533 178.654 176.094 0.044 0.000 1.043 428 V CA 2.015 64.347 62.300 0.054 0.000 1.014 428 V CB -0.597 31.256 31.823 0.049 0.000 0.645 428 V HN 0.529 nan 8.190 nan 0.000 0.447 429 K N -0.128 120.296 120.400 0.040 0.000 1.991 429 K HA -0.196 4.131 4.320 0.011 0.000 0.212 429 K C 2.285 178.904 176.600 0.031 0.000 1.049 429 K CA 1.629 57.931 56.287 0.025 0.000 0.932 429 K CB -0.501 32.005 32.500 0.012 0.000 0.717 429 K HN 0.410 nan 8.250 nan 0.000 0.441 430 A N 1.705 124.551 122.820 0.044 0.000 1.884 430 A HA -0.290 4.036 4.320 0.011 0.000 0.219 430 A C 2.144 179.754 177.584 0.043 0.000 1.197 430 A CA 2.155 54.221 52.037 0.048 0.000 0.637 430 A CB -0.837 18.203 19.000 0.065 0.000 0.827 430 A HN 0.438 nan 8.150 nan 0.000 0.450 431 R N -0.500 120.028 120.500 0.047 0.000 2.091 431 R HA -0.210 4.136 4.340 0.011 0.000 0.238 431 R C 1.743 178.062 176.300 0.032 0.000 1.136 431 R CA 2.057 58.182 56.100 0.041 0.000 0.959 431 R CB -0.416 29.912 30.300 0.047 0.000 0.856 431 R HN 0.557 nan 8.270 nan 0.000 0.437 432 N N 0.987 119.705 118.700 0.030 0.000 2.244 432 N HA -0.138 4.608 4.740 0.011 0.000 0.183 432 N C 0.053 175.573 175.510 0.017 0.000 1.016 432 N CA 1.423 54.487 53.050 0.023 0.000 0.866 432 N CB 0.053 38.552 38.487 0.020 0.000 0.980 432 N HN 0.515 nan 8.380 nan 0.000 0.430 433 E N -0.313 119.897 120.200 0.017 0.000 2.427 433 E HA 0.318 4.675 4.350 0.011 0.000 0.259 433 E C 0.233 176.843 176.600 0.017 0.000 1.267 433 E CA -0.544 55.864 56.400 0.013 0.000 1.425 433 E CB -0.415 29.290 29.700 0.008 0.000 1.482 433 E HN 0.105 nan 8.360 nan 0.000 0.460 434 G N 2.711 111.522 108.800 0.018 0.000 2.483 434 G HA2 -0.358 3.608 3.960 0.011 0.000 0.309 434 G HA3 -0.358 3.608 3.960 0.011 0.000 0.309 434 G C 0.092 175.006 174.900 0.023 0.000 0.908 434 G CA 0.547 45.658 45.100 0.019 0.000 0.943 434 G HN 0.434 nan 8.290 nan 0.000 0.511 435 R N -0.286 120.232 120.500 0.029 0.000 2.532 435 R HA 0.325 4.671 4.340 0.011 0.000 0.272 435 R C -0.379 175.943 176.300 0.037 0.000 1.032 435 R CA -0.684 55.437 56.100 0.034 0.000 1.089 435 R CB 0.896 31.221 30.300 0.042 0.000 1.098 435 R HN 0.226 nan 8.270 nan 0.000 0.526 436 D N 2.898 123.320 120.400 0.037 0.000 2.467 436 D HA 0.073 4.719 4.640 0.011 0.000 0.220 436 D C 1.096 177.425 176.300 0.048 0.000 1.103 436 D CA -0.137 53.885 54.000 0.036 0.000 0.886 436 D CB 0.878 41.694 40.800 0.027 0.000 1.025 436 D HN 0.414 nan 8.370 nan 0.000 0.514 437 L N 3.032 124.287 121.223 0.053 0.000 2.129 437 L HA -0.222 4.125 4.340 0.011 0.000 0.212 437 L C 2.627 179.539 176.870 0.070 0.000 1.087 437 L CA 1.329 56.212 54.840 0.071 0.000 0.757 437 L CB -0.282 41.820 42.059 0.071 0.000 0.896 437 L HN 0.419 nan 8.230 nan 0.000 0.434 438 A N 0.035 122.882 122.820 0.045 0.000 1.933 438 A HA -0.219 4.108 4.320 0.011 0.000 0.218 438 A C 2.278 179.886 177.584 0.040 0.000 1.175 438 A CA 1.896 53.953 52.037 0.034 0.000 0.628 438 A CB -0.281 18.726 19.000 0.013 0.000 0.814 438 A HN 0.649 nan 8.150 nan 0.000 0.444 439 Q N -1.808 118.017 119.800 0.042 0.000 2.481 439 Q HA 0.134 4.480 4.340 0.011 0.000 0.219 439 Q C 1.386 177.422 176.000 0.060 0.000 0.920 439 Q CA 0.574 56.401 55.803 0.041 0.000 0.915 439 Q CB -0.309 28.444 28.738 0.026 0.000 1.057 439 Q HN 0.658 nan 8.270 nan 0.000 0.581 440 E N 1.435 121.674 120.200 0.065 0.000 2.409 440 E HA -0.053 4.303 4.350 0.011 0.000 0.198 440 E C 1.791 178.464 176.600 0.123 0.000 1.024 440 E CA 0.479 56.928 56.400 0.081 0.000 0.861 440 E CB -0.080 29.663 29.700 0.071 0.000 0.788 440 E HN 0.541 nan 8.360 nan 0.000 0.521 441 G N 2.751 111.635 108.800 0.140 0.000 2.766 441 G HA2 -0.398 3.569 3.960 0.011 0.000 0.222 441 G HA3 -0.398 3.569 3.960 0.011 0.000 0.222 441 G C 1.328 176.403 174.900 0.291 0.000 1.225 441 G CA 1.238 46.456 45.100 0.196 0.000 0.784 441 G HN 0.285 nan 8.290 nan 0.000 0.631 442 N N 0.468 119.390 118.700 0.370 0.000 2.091 442 N HA -0.140 4.607 4.740 0.011 0.000 0.193 442 N C 2.083 177.862 175.510 0.449 0.000 1.021 442 N CA 1.385 54.774 53.050 0.565 0.000 0.862 442 N CB -0.261 38.539 38.487 0.521 0.000 1.018 442 N HN 0.303 nan 8.380 nan 0.000 0.429 443 E N 1.358 121.716 120.200 0.263 0.000 2.072 443 E HA -0.021 4.336 4.350 0.011 0.000 0.191 443 E C 2.210 178.926 176.600 0.194 0.000 0.985 443 E CA 0.351 56.869 56.400 0.196 0.000 0.801 443 E CB -0.181 29.589 29.700 0.117 0.000 0.750 443 E HN 0.395 nan 8.360 nan 0.000 0.452 444 I N 0.982 121.662 120.570 0.182 0.000 2.163 444 I HA -0.287 3.890 4.170 0.011 0.000 0.243 444 I C 2.210 178.422 176.117 0.160 0.000 1.085 444 I CA 0.753 62.145 61.300 0.154 0.000 1.347 444 I CB -0.289 37.793 38.000 0.138 0.000 1.044 444 I HN 0.106 nan 8.210 nan 0.000 0.408 445 I N 0.481 121.163 120.570 0.187 0.000 2.361 445 I HA -0.241 3.936 4.170 0.011 0.000 0.251 445 I C 2.619 178.802 176.117 0.111 0.000 1.133 445 I CA 1.229 62.587 61.300 0.096 0.000 1.413 445 I CB -1.355 36.715 38.000 0.116 0.000 1.073 445 I HN 0.348 nan 8.210 nan 0.000 0.424 446 R N 1.850 122.502 120.500 0.254 0.000 2.073 446 R HA -0.185 4.162 4.340 0.011 0.000 0.234 446 R C 1.969 178.355 176.300 0.143 0.000 1.134 446 R CA 1.661 57.903 56.100 0.237 0.000 0.952 446 R CB -0.337 30.108 30.300 0.242 0.000 0.850 446 R HN 0.454 nan 8.270 nan 0.000 0.433 447 E N -0.105 120.185 120.200 0.150 0.000 2.085 447 E HA -0.160 4.197 4.350 0.011 0.000 0.194 447 E C 1.946 178.674 176.600 0.214 0.000 0.994 447 E CA 1.455 57.956 56.400 0.167 0.000 0.801 447 E CB -0.173 29.627 29.700 0.166 0.000 0.743 447 E HN 0.456 nan 8.360 nan 0.000 0.453 448 A N 0.752 123.665 122.820 0.155 0.000 1.930 448 A HA -0.170 4.157 4.320 0.011 0.000 0.217 448 A C 2.399 179.706 177.584 -0.462 0.000 1.175 448 A CA 1.037 53.073 52.037 -0.001 0.000 0.627 448 A CB -0.782 18.217 19.000 -0.002 0.000 0.815 448 A HN 0.368 nan 8.150 nan 0.000 0.443 449 c N -0.410 118.028 118.600 -0.270 0.000 2.413 449 c HA -0.127 4.450 4.570 0.011 0.000 0.277 449 c C 2.699 176.633 174.090 -0.260 0.000 1.265 449 c CA 1.372 57.525 56.329 -0.294 0.000 1.752 449 c CB -1.085 41.332 42.510 -0.155 0.000 1.998 449 c HN 0.617 nan 8.230 nan 0.000 0.489 450 K N 0.354 120.674 120.400 -0.132 0.000 2.002 450 K HA -0.147 4.180 4.320 0.011 0.000 0.209 450 K C 1.961 178.544 176.600 -0.029 0.000 1.048 450 K CA 1.842 58.114 56.287 -0.025 0.000 0.930 450 K CB -0.343 32.207 32.500 0.082 0.000 0.714 450 K HN 0.827 nan 8.250 nan 0.000 0.438 451 W N 0.484 121.779 121.300 -0.009 0.000 3.047 451 W HA 0.231 4.898 4.660 0.011 0.000 0.250 451 W C 0.029 176.539 176.519 -0.015 0.000 1.314 451 W CA -0.184 57.157 57.345 -0.007 0.000 1.540 451 W CB -0.323 29.133 29.460 -0.006 0.000 1.127 451 W HN -0.154 nan 8.180 nan 0.000 0.679 452 S N 3.431 118.630 115.700 -0.835 0.000 2.474 452 S HA 0.319 4.796 4.470 0.011 0.000 0.321 452 S C -0.751 173.644 174.600 -0.342 0.000 1.080 452 S CA -1.565 56.234 58.200 -0.668 0.000 1.106 452 S CB 1.566 64.178 63.200 -0.980 0.000 0.984 452 S HN -0.253 nan 8.310 nan 0.000 0.464 453 P HA -0.181 nan 4.420 nan 0.000 0.214 453 P C 0.994 178.144 177.300 -0.249 0.000 1.169 453 P CA 1.414 64.510 63.100 -0.006 0.000 0.908 453 P CB 0.169 31.999 31.700 0.218 0.000 0.791 454 E N -0.416 119.612 120.200 -0.287 0.000 2.048 454 E HA -0.194 4.163 4.350 0.011 0.000 0.202 454 E C 2.054 178.331 176.600 -0.538 0.000 1.021 454 E CA 1.149 57.217 56.400 -0.554 0.000 0.825 454 E CB -1.208 28.342 29.700 -0.250 0.000 0.756 454 E HN 0.098 nan 8.360 nan 0.000 0.454 455 L N 0.138 121.089 121.223 -0.454 0.000 2.093 455 L HA -0.005 4.341 4.340 0.011 0.000 0.208 455 L C 1.978 178.597 176.870 -0.419 0.000 1.085 455 L CA 1.975 56.546 54.840 -0.448 0.000 0.755 455 L CB -0.842 40.913 42.059 -0.507 0.000 0.904 455 L HN 0.127 nan 8.230 nan 0.000 0.435 456 A N -0.204 122.387 122.820 -0.382 0.000 1.877 456 A HA -0.128 4.199 4.320 0.011 0.000 0.216 456 A C 2.433 179.844 177.584 -0.288 0.000 1.186 456 A CA 1.806 53.672 52.037 -0.287 0.000 0.620 456 A CB -1.223 17.662 19.000 -0.191 0.000 0.822 456 A HN 0.552 nan 8.150 nan 0.000 0.443 457 A N -0.578 121.998 122.820 -0.407 0.000 2.070 457 A HA 0.216 4.543 4.320 0.011 0.000 0.220 457 A C 2.317 179.614 177.584 -0.478 0.000 1.159 457 A CA 1.870 53.629 52.037 -0.464 0.000 0.656 457 A CB -0.675 17.818 19.000 -0.845 0.000 0.800 457 A HN 0.963 nan 8.150 nan 0.000 0.453 458 A N -0.995 121.590 122.820 -0.390 0.000 1.903 458 A HA -0.051 4.276 4.320 0.011 0.000 0.213 458 A C 2.204 179.610 177.584 -0.295 0.000 1.185 458 A CA 1.346 53.207 52.037 -0.294 0.000 0.628 458 A CB -1.130 17.733 19.000 -0.230 0.000 0.830 458 A HN 0.604 nan 8.150 nan 0.000 0.446 459 c N 0.186 118.584 118.600 -0.337 0.000 2.422 459 c HA -0.067 4.509 4.570 0.011 0.000 0.279 459 c C 2.560 176.696 174.090 0.076 0.000 1.305 459 c CA 0.908 57.128 56.329 -0.182 0.000 1.757 459 c CB -1.096 41.337 42.510 -0.128 0.000 1.962 459 c HN 0.567 nan 8.230 nan 0.000 0.499 460 E N 0.714 120.871 120.200 -0.072 0.000 2.007 460 E HA -0.177 4.180 4.350 0.011 0.000 0.194 460 E C 2.372 178.909 176.600 -0.104 0.000 0.999 460 E CA 1.092 57.443 56.400 -0.082 0.000 0.811 460 E CB -1.254 28.380 29.700 -0.110 0.000 0.762 460 E HN 0.479 nan 8.360 nan 0.000 0.450 461 V N 0.845 120.676 119.914 -0.138 0.000 2.594 461 V HA -0.193 3.933 4.120 0.011 0.000 0.253 461 V C 1.950 177.953 176.094 -0.151 0.000 1.069 461 V CA 1.825 64.038 62.300 -0.145 0.000 1.082 461 V CB -0.470 31.250 31.823 -0.171 0.000 0.680 461 V HN 0.401 nan 8.190 nan 0.000 0.469 462 W N 1.611 122.686 121.300 -0.374 0.000 2.292 462 W HA -0.270 4.396 4.660 0.011 0.000 0.330 462 W C 2.380 178.538 176.519 -0.602 0.000 1.264 462 W CA 2.499 59.535 57.345 -0.515 0.000 1.235 462 W CB -0.544 28.621 29.460 -0.491 0.000 1.164 462 W HN 0.080 nan 8.180 nan 0.000 0.461 463 K N 0.545 120.715 120.400 -0.384 0.000 2.574 463 K HA -0.166 4.160 4.320 0.011 0.000 0.193 463 K C 1.845 178.258 176.600 -0.311 0.000 1.035 463 K CA 1.068 57.043 56.287 -0.520 0.000 0.982 463 K CB -0.398 31.862 32.500 -0.400 0.000 0.795 463 K HN 0.430 nan 8.250 nan 0.000 0.491 464 E N 1.854 121.920 120.200 -0.223 0.000 2.265 464 E HA -0.183 4.174 4.350 0.011 0.000 0.196 464 E C 1.465 177.974 176.600 -0.153 0.000 0.996 464 E CA 1.077 57.385 56.400 -0.153 0.000 0.832 464 E CB 0.085 29.711 29.700 -0.123 0.000 0.756 464 E HN 0.555 nan 8.360 nan 0.000 0.491 465 I N -3.205 117.235 120.570 -0.216 0.000 4.327 465 I HA 0.172 4.348 4.170 0.011 0.000 0.331 465 I C 1.116 177.087 176.117 -0.244 0.000 1.348 465 I CA -0.355 60.859 61.300 -0.144 0.000 1.152 465 I CB 0.465 38.455 38.000 -0.016 0.000 1.151 465 I HN -0.217 nan 8.210 nan 0.000 0.410 466 V N 1.746 121.265 119.914 -0.657 0.000 5.142 466 V HA 0.346 4.473 4.120 0.011 0.000 0.146 466 V C 0.484 176.221 176.094 -0.595 0.000 1.388 466 V CA 0.507 62.155 62.300 -1.087 0.000 1.215 466 V CB 0.020 30.375 31.823 -2.446 0.000 1.360 466 V HN 0.400 nan 8.190 nan 0.000 0.377 467 F N 0.000 119.671 119.950 -0.464 0.000 2.286 467 F HA 0.000 4.534 4.527 0.011 0.000 0.279 467 F CA 0.000 57.850 58.000 -0.250 0.000 1.383 467 F CB 0.000 38.886 39.000 -0.190 0.000 1.145 467 F HN 0.000 nan 8.300 nan 0.000 0.574