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 2j57_1_G DATA FIRST_RESID 5 DATA SEQUENCE EAETQAQETQ GQAAARAAAA DLAAGQDDEP RILEAPAPDA RRVYVNDPAH DATA SEQUENCE FAAVTQQFVI DGEAGRVIGM IDGGFLPNPV VADDGSFIAH ASTVFSRIAR DATA SEQUENCE GERTDYVEVF DPVTLLPTAD IELPDAPRFL VGTYPWMTSL TPDGKTLLFY DATA SEQUENCE QFSPAPAVGV VDLEGKAFKR MLDVPDcYHI FPTAPDTFFM HcRDGSLAKV DATA SEQUENCE AFGTEGTPEI THTEVFHPED EFLINHPAYS QKAGRLVWPT YTGKIHQIDL DATA SEQUENCE SSGDAKFLPA VEALTEAERA DGWRPGGWQQ VAYHRALDRI YLLVDQRDEW DATA SEQUENCE RHKTASRFVV VLDAKTGERL AKFEMGHEID SINVSQDEKP LLYALSTGDK DATA SEQUENCE TLYIHDAESG EELRSVNQLG HGPQVITTAD MG 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.589 176.600 -0.018 0.000 1.382 5 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 5 E CB 0.000 29.690 29.700 -0.017 0.000 0.812 6 A N 0.800 123.611 122.820 -0.015 0.000 2.364 6 A HA 0.289 4.609 4.320 0.000 0.000 0.258 6 A C 0.265 177.836 177.584 -0.022 0.000 1.131 6 A CA 0.130 52.159 52.037 -0.013 0.000 0.800 6 A CB 0.381 19.379 19.000 -0.004 0.000 1.086 6 A HN 0.275 nan 8.150 nan 0.000 0.508 7 E N 0.016 120.205 120.200 -0.019 0.000 2.197 7 E HA 0.388 4.738 4.350 0.000 0.000 0.281 7 E C 0.205 176.791 176.600 -0.024 0.000 0.995 7 E CA -0.255 56.130 56.400 -0.025 0.000 0.808 7 E CB 1.196 30.883 29.700 -0.021 0.000 1.093 7 E HN 0.784 nan 8.360 nan 0.000 0.394 8 T N -0.344 114.188 114.554 -0.036 0.000 2.795 8 T HA -0.086 4.264 4.350 0.000 0.000 0.314 8 T C 1.145 175.831 174.700 -0.023 0.000 1.069 8 T CA -0.212 61.869 62.100 -0.032 0.000 1.071 8 T CB 1.262 70.097 68.868 -0.053 0.000 0.988 8 T HN 0.518 nan 8.240 nan 0.000 0.543 9 Q N 0.880 120.670 119.800 -0.016 0.000 2.096 9 Q HA -0.172 4.168 4.340 0.000 0.000 0.204 9 Q C 2.500 178.487 176.000 -0.022 0.000 0.982 9 Q CA 1.885 57.678 55.803 -0.016 0.000 0.850 9 Q CB -0.764 27.966 28.738 -0.012 0.000 0.901 9 Q HN 0.951 nan 8.270 nan 0.000 0.422 10 A N 1.241 124.045 122.820 -0.028 0.000 1.933 10 A HA -0.253 4.067 4.320 0.000 0.000 0.218 10 A C 1.955 179.521 177.584 -0.030 0.000 1.175 10 A CA 1.797 53.816 52.037 -0.030 0.000 0.628 10 A CB -0.665 18.314 19.000 -0.036 0.000 0.814 10 A HN 0.664 nan 8.150 nan 0.000 0.444 11 Q N -0.625 119.154 119.800 -0.035 0.000 2.245 11 Q HA -0.101 4.239 4.340 0.000 0.000 0.201 11 Q C 1.585 177.570 176.000 -0.025 0.000 0.955 11 Q CA 1.305 57.088 55.803 -0.033 0.000 0.870 11 Q CB -0.306 28.407 28.738 -0.041 0.000 0.945 11 Q HN 0.717 nan 8.270 nan 0.000 0.461 12 E N 0.744 120.931 120.200 -0.022 0.000 2.023 12 E HA -0.210 4.140 4.350 0.000 0.000 0.196 12 E C 2.106 178.696 176.600 -0.016 0.000 1.003 12 E CA 2.065 58.454 56.400 -0.017 0.000 0.809 12 E CB -0.124 29.567 29.700 -0.015 0.000 0.755 12 E HN 0.523 nan 8.360 nan 0.000 0.449 13 T N -0.353 114.191 114.554 -0.017 0.000 2.821 13 T HA -0.201 4.149 4.350 0.000 0.000 0.267 13 T C 1.813 176.504 174.700 -0.016 0.000 1.046 13 T CA 1.641 63.731 62.100 -0.015 0.000 1.139 13 T CB -0.058 68.801 68.868 -0.015 0.000 0.871 13 T HN 0.110 nan 8.240 nan 0.000 0.454 14 Q N 0.199 119.988 119.800 -0.018 0.000 2.046 14 Q HA 0.099 4.439 4.340 0.000 0.000 0.200 14 Q C 2.719 178.709 176.000 -0.016 0.000 0.975 14 Q CA 1.506 57.299 55.803 -0.018 0.000 0.836 14 Q CB -0.687 28.038 28.738 -0.021 0.000 0.896 14 Q HN 0.652 nan 8.270 nan 0.000 0.428 15 G N 0.585 109.375 108.800 -0.016 0.000 2.432 15 G HA2 -0.284 3.677 3.960 0.000 0.000 0.219 15 G HA3 -0.284 3.677 3.960 0.000 0.000 0.219 15 G C 1.218 176.111 174.900 -0.012 0.000 1.135 15 G CA 0.683 45.774 45.100 -0.014 0.000 0.767 15 G HN 0.289 nan 8.290 nan 0.000 0.550 16 Q N 0.127 119.920 119.800 -0.012 0.000 2.049 16 Q HA 0.153 4.493 4.340 0.000 0.000 0.198 16 Q C 3.049 179.043 176.000 -0.009 0.000 0.971 16 Q CA 1.047 56.844 55.803 -0.010 0.000 0.833 16 Q CB -0.270 28.462 28.738 -0.010 0.000 0.896 16 Q HN 0.424 nan 8.270 nan 0.000 0.434 17 A N 1.329 124.143 122.820 -0.010 0.000 1.917 17 A HA -0.216 4.104 4.320 0.000 0.000 0.219 17 A C 2.281 179.860 177.584 -0.009 0.000 1.182 17 A CA 1.898 53.929 52.037 -0.009 0.000 0.633 17 A CB -0.882 18.112 19.000 -0.010 0.000 0.819 17 A HN 0.409 nan 8.150 nan 0.000 0.448 18 A N -0.567 122.247 122.820 -0.010 0.000 1.929 18 A HA 0.287 4.607 4.320 0.000 0.000 0.216 18 A C 2.464 180.043 177.584 -0.008 0.000 1.176 18 A CA 1.725 53.757 52.037 -0.009 0.000 0.628 18 A CB -0.877 18.117 19.000 -0.010 0.000 0.816 18 A HN 1.048 nan 8.150 nan 0.000 0.444 19 A N -0.104 122.711 122.820 -0.008 0.000 1.930 19 A HA -0.134 4.186 4.320 0.000 0.000 0.217 19 A C 2.238 179.819 177.584 -0.006 0.000 1.175 19 A CA 1.406 53.439 52.037 -0.007 0.000 0.627 19 A CB -0.419 18.577 19.000 -0.007 0.000 0.815 19 A HN 0.535 nan 8.150 nan 0.000 0.443 20 R N -0.597 119.899 120.500 -0.006 0.000 2.066 20 R HA -0.071 4.269 4.340 0.000 0.000 0.232 20 R C 2.538 178.835 176.300 -0.005 0.000 1.131 20 R CA 1.224 57.320 56.100 -0.005 0.000 0.955 20 R CB -0.476 29.820 30.300 -0.006 0.000 0.851 20 R HN 0.501 nan 8.270 nan 0.000 0.432 21 A N 1.272 124.089 122.820 -0.005 0.000 1.902 21 A HA -0.145 4.175 4.320 0.000 0.000 0.217 21 A C 2.359 179.941 177.584 -0.004 0.000 1.181 21 A CA 1.794 53.828 52.037 -0.005 0.000 0.623 21 A CB -0.636 18.361 19.000 -0.005 0.000 0.818 21 A HN 0.420 nan 8.150 nan 0.000 0.443 22 A N -0.069 122.749 122.820 -0.005 0.000 1.858 22 A HA 0.156 4.476 4.320 0.000 0.000 0.216 22 A C 2.569 180.151 177.584 -0.004 0.000 1.190 22 A CA 2.311 54.346 52.037 -0.004 0.000 0.617 22 A CB -1.300 17.697 19.000 -0.005 0.000 0.827 22 A HN 1.191 nan 8.150 nan 0.000 0.443 23 A N -0.011 122.806 122.820 -0.004 0.000 1.896 23 A HA -0.057 4.263 4.320 0.000 0.000 0.220 23 A C 2.551 180.133 177.584 -0.003 0.000 1.206 23 A CA 3.014 55.048 52.037 -0.003 0.000 0.647 23 A CB -1.278 17.720 19.000 -0.004 0.000 0.828 23 A HN 1.264 nan 8.150 nan 0.000 0.455 24 A N -0.642 122.176 122.820 -0.003 0.000 1.902 24 A HA -0.193 4.127 4.320 0.000 0.000 0.217 24 A C 1.828 179.411 177.584 -0.002 0.000 1.181 24 A CA 1.952 53.987 52.037 -0.003 0.000 0.623 24 A CB -0.640 18.358 19.000 -0.003 0.000 0.818 24 A HN 0.509 nan 8.150 nan 0.000 0.443 25 D N -0.151 120.247 120.400 -0.003 0.000 2.104 25 D HA -0.144 4.496 4.640 0.000 0.000 0.194 25 D C 1.961 178.260 176.300 -0.002 0.000 0.994 25 D CA 0.999 54.998 54.000 -0.002 0.000 0.830 25 D CB -0.429 40.370 40.800 -0.002 0.000 0.959 25 D HN 0.391 nan 8.370 nan 0.000 0.452 26 L N 0.713 121.934 121.223 -0.002 0.000 1.970 26 L HA -0.244 4.096 4.340 0.000 0.000 0.212 26 L C 2.354 179.223 176.870 -0.002 0.000 1.071 26 L CA 1.700 56.539 54.840 -0.002 0.000 0.751 26 L CB -0.406 41.652 42.059 -0.002 0.000 0.889 26 L HN -0.017 nan 8.230 nan 0.000 0.432 27 A N -0.301 122.518 122.820 -0.002 0.000 1.948 27 A HA -0.229 4.091 4.320 0.000 0.000 0.220 27 A C 2.136 179.719 177.584 -0.002 0.000 1.177 27 A CA 1.882 53.918 52.037 -0.002 0.000 0.636 27 A CB -0.777 18.222 19.000 -0.002 0.000 0.815 27 A HN 0.577 nan 8.150 nan 0.000 0.449 28 A N -1.694 121.125 122.820 -0.002 0.000 2.259 28 A HA 0.417 4.737 4.320 0.000 0.000 0.208 28 A C 1.793 179.376 177.584 -0.001 0.000 1.201 28 A CA 1.116 53.153 52.037 -0.001 0.000 0.824 28 A CB -1.192 17.808 19.000 -0.001 0.000 0.838 28 A HN 1.929 nan 8.150 nan 0.000 0.485 29 G N -0.873 107.926 108.800 -0.001 0.000 2.187 29 G HA2 -0.273 3.687 3.960 0.000 0.000 0.261 29 G HA3 -0.273 3.687 3.960 0.000 0.000 0.261 29 G C 0.101 175.000 174.900 -0.001 0.000 1.000 29 G CA 0.355 45.454 45.100 -0.001 0.000 0.718 29 G HN 0.573 nan 8.290 nan 0.000 0.519 30 Q N 1.283 121.082 119.800 -0.001 0.000 2.286 30 Q HA 0.169 4.509 4.340 0.000 0.000 0.265 30 Q C -0.056 175.943 176.000 -0.001 0.000 1.080 30 Q CA -0.024 55.779 55.803 -0.001 0.000 0.906 30 Q CB 0.666 29.404 28.738 -0.001 0.000 1.227 30 Q HN 0.413 nan 8.270 nan 0.000 0.409 31 D N 2.525 122.925 120.400 -0.001 0.000 2.488 31 D HA -0.009 4.631 4.640 0.000 0.000 0.238 31 D C -0.347 175.953 176.300 -0.001 0.000 1.138 31 D CA 0.369 54.368 54.000 -0.001 0.000 0.873 31 D CB 0.646 41.446 40.800 -0.001 0.000 1.183 31 D HN 0.233 nan 8.370 nan 0.000 0.458 32 D N 2.088 122.488 120.400 -0.001 0.000 2.383 32 D HA 0.072 4.712 4.640 0.000 0.000 0.252 32 D C 0.089 176.389 176.300 -0.001 0.000 1.166 32 D CA 0.371 54.370 54.000 -0.001 0.000 0.879 32 D CB 0.560 41.360 40.800 -0.002 0.000 1.164 32 D HN 0.297 nan 8.370 nan 0.000 0.462 33 E N 2.278 122.478 120.200 -0.001 0.000 2.916 33 E HA 0.240 4.590 4.350 0.000 0.000 0.217 33 E C -2.187 174.413 176.600 -0.000 0.000 1.100 33 E CA -1.556 54.844 56.400 -0.000 0.000 0.891 33 E CB 0.845 30.545 29.700 0.000 0.000 1.311 33 E HN 0.182 nan 8.360 nan 0.000 0.421 34 P HA -0.067 nan 4.420 nan 0.000 0.263 34 P C -0.496 176.805 177.300 0.000 0.000 1.175 34 P CA 0.385 63.484 63.100 -0.001 0.000 0.761 34 P CB 0.497 32.197 31.700 -0.001 0.000 0.794 35 R N 1.178 121.678 120.500 -0.000 0.000 2.810 35 R HA 0.656 4.996 4.340 0.000 0.000 0.266 35 R C -1.182 175.118 176.300 0.000 0.000 1.061 35 R CA -1.102 54.999 56.100 0.001 0.000 0.943 35 R CB 0.777 31.078 30.300 0.002 0.000 1.237 35 R HN 0.169 nan 8.270 nan 0.000 0.459 36 I N 2.094 122.665 120.570 0.002 0.000 2.315 36 I HA 0.236 4.406 4.170 0.000 0.000 0.291 36 I C 0.283 176.401 176.117 0.001 0.000 1.006 36 I CA -0.767 60.534 61.300 0.001 0.000 1.265 36 I CB 1.312 39.314 38.000 0.004 0.000 1.387 36 I HN 0.292 nan 8.210 nan 0.000 0.475 37 L N 6.192 127.414 121.223 -0.002 0.000 2.473 37 L HA 0.220 4.560 4.340 0.000 0.000 0.268 37 L C 0.433 177.303 176.870 -0.000 0.000 1.215 37 L CA -0.144 54.695 54.840 -0.002 0.000 0.823 37 L CB 0.255 42.310 42.059 -0.007 0.000 1.099 37 L HN 0.592 nan 8.230 nan 0.000 0.483 38 E N 0.918 121.119 120.200 0.001 0.000 2.204 38 E HA 0.488 4.838 4.350 0.000 0.000 0.276 38 E C -0.554 176.044 176.600 -0.002 0.000 0.974 38 E CA -0.795 55.607 56.400 0.004 0.000 0.815 38 E CB 1.902 31.608 29.700 0.010 0.000 1.119 38 E HN 0.664 nan 8.360 nan 0.000 0.393 39 A N 3.694 126.512 122.820 -0.004 0.000 2.366 39 A HA 0.346 4.666 4.320 0.000 0.000 0.249 39 A C -2.117 175.463 177.584 -0.008 0.000 1.084 39 A CA -1.037 50.991 52.037 -0.015 0.000 0.794 39 A CB -0.413 18.571 19.000 -0.026 0.000 1.034 39 A HN 0.341 nan 8.150 nan 0.000 0.491 40 P HA 0.309 nan 4.420 nan 0.000 0.271 40 P C -0.152 177.147 177.300 -0.002 0.000 1.233 40 P CA 0.078 63.173 63.100 -0.008 0.000 0.789 40 P CB 0.334 32.025 31.700 -0.015 0.000 0.951 41 A N 2.889 125.713 122.820 0.008 0.000 2.498 41 A HA 0.292 4.612 4.320 0.000 0.000 0.239 41 A C -1.931 175.663 177.584 0.016 0.000 1.068 41 A CA -0.812 51.236 52.037 0.018 0.000 0.766 41 A CB -1.613 17.399 19.000 0.021 0.000 1.003 41 A HN 0.421 nan 8.150 nan 0.000 0.497 42 P HA 0.164 nan 4.420 nan 0.000 0.262 42 P C -0.872 176.446 177.300 0.030 0.000 1.182 42 P CA 0.482 63.603 63.100 0.035 0.000 0.761 42 P CB 0.473 32.211 31.700 0.063 0.000 0.795 43 D N 0.981 121.396 120.400 0.025 0.000 2.610 43 D HA 0.387 5.027 4.640 0.000 0.000 0.271 43 D C 0.600 176.923 176.300 0.038 0.000 1.174 43 D CA -1.020 52.997 54.000 0.027 0.000 0.949 43 D CB 0.279 41.091 40.800 0.019 0.000 1.430 43 D HN 0.135 nan 8.370 nan 0.000 0.467 44 A N -0.331 122.513 122.820 0.041 0.000 2.131 44 A HA -0.151 4.169 4.320 0.000 0.000 0.220 44 A C 1.605 179.238 177.584 0.081 0.000 1.158 44 A CA 1.081 53.151 52.037 0.054 0.000 0.665 44 A CB -0.569 18.457 19.000 0.045 0.000 0.795 44 A HN 0.476 nan 8.150 nan 0.000 0.460 45 R N -1.134 119.409 120.500 0.072 0.000 2.393 45 R HA 0.139 4.479 4.340 0.000 0.000 0.244 45 R C 0.639 176.984 176.300 0.075 0.000 0.920 45 R CA -0.320 55.846 56.100 0.109 0.000 1.076 45 R CB 0.181 30.531 30.300 0.084 0.000 1.119 45 R HN 0.403 nan 8.270 nan 0.000 0.524 46 R N 1.546 122.051 120.500 0.009 0.000 2.438 46 R HA 0.254 4.594 4.340 0.000 0.000 0.287 46 R C -0.996 175.214 176.300 -0.151 0.000 1.077 46 R CA 0.044 56.079 56.100 -0.109 0.000 1.034 46 R CB 1.147 31.367 30.300 -0.132 0.000 0.993 46 R HN -0.095 nan 8.270 nan 0.000 0.459 47 V N 5.584 125.303 119.914 -0.324 0.000 2.841 47 V HA 0.444 4.564 4.120 0.000 0.000 0.310 47 V C -1.834 174.015 176.094 -0.408 0.000 1.090 47 V CA -0.702 61.382 62.300 -0.360 0.000 0.930 47 V CB 1.910 33.245 31.823 -0.812 0.000 1.014 47 V HN 0.761 nan 8.190 nan 0.000 0.425 48 Y N 4.265 124.461 120.300 -0.173 0.000 2.352 48 Y HA 0.697 5.247 4.550 0.000 0.000 0.339 48 Y C 0.069 175.917 175.900 -0.087 0.000 0.992 48 Y CA -0.751 57.288 58.100 -0.103 0.000 1.100 48 Y CB 2.146 40.555 38.460 -0.084 0.000 1.192 48 Y HN 0.412 nan 8.280 nan 0.000 0.458 49 V N 3.979 123.958 119.914 0.108 0.000 2.378 49 V HA 0.330 4.450 4.120 0.000 0.000 0.288 49 V C -0.758 175.448 176.094 0.186 0.000 1.016 49 V CA -1.085 61.272 62.300 0.095 0.000 0.840 49 V CB 1.276 33.097 31.823 -0.003 0.000 0.994 49 V HN 0.726 nan 8.190 nan 0.000 0.431 50 N N 2.725 121.501 118.700 0.127 0.000 2.456 50 N HA 0.414 5.154 4.740 0.000 0.000 0.288 50 N C -0.828 174.736 175.510 0.091 0.000 1.059 50 N CA -0.459 52.661 53.050 0.116 0.000 0.946 50 N CB 1.311 39.849 38.487 0.084 0.000 1.150 50 N HN 0.703 nan 8.380 nan 0.000 0.479 51 D N 2.351 122.816 120.400 0.109 0.000 2.472 51 D HA 0.325 4.965 4.640 0.000 0.000 0.234 51 D C -2.117 174.184 176.300 0.001 0.000 1.088 51 D CA -2.301 51.727 54.000 0.046 0.000 0.882 51 D CB 1.207 42.102 40.800 0.158 0.000 1.037 51 D HN 0.266 nan 8.370 nan 0.000 0.520 52 P HA 0.100 nan 4.420 nan 0.000 0.239 52 P C 0.244 177.507 177.300 -0.062 0.000 1.184 52 P CA 0.456 63.520 63.100 -0.058 0.000 0.760 52 P CB -0.003 31.640 31.700 -0.096 0.000 0.884 53 A N -0.191 122.559 122.820 -0.116 0.000 2.745 53 A HA -0.263 4.057 4.320 0.000 0.000 0.296 53 A C 0.393 177.970 177.584 -0.013 0.000 1.500 53 A CA 1.016 53.034 52.037 -0.032 0.000 0.766 53 A CB -2.853 16.240 19.000 0.155 0.000 1.030 53 A HN 0.488 nan 8.150 nan 0.000 0.489 54 H N -3.157 115.819 119.070 -0.158 0.000 2.741 54 H HA -0.244 4.312 4.556 0.000 0.000 0.305 54 H C 0.579 175.801 175.328 -0.177 0.000 1.169 54 H CA 1.730 57.581 56.048 -0.327 0.000 1.144 54 H CB -1.865 27.777 29.762 -0.201 0.000 1.397 54 H HN 1.586 nan 8.280 nan 0.000 0.409 55 F N -4.233 115.791 119.950 0.124 0.000 2.482 55 F HA -0.193 4.334 4.527 0.000 0.000 0.321 55 F C 1.425 177.408 175.800 0.305 0.000 0.626 55 F CA -0.085 58.052 58.000 0.228 0.000 1.642 55 F CB -1.803 37.328 39.000 0.217 0.000 2.098 55 F HN 0.522 nan 8.300 nan 0.000 0.295 56 A N 0.504 123.531 122.820 0.344 0.000 2.520 56 A HA 0.534 4.854 4.320 0.000 0.000 0.235 56 A C 1.554 179.329 177.584 0.317 0.000 1.065 56 A CA 0.579 52.759 52.037 0.239 0.000 0.764 56 A CB 0.248 19.340 19.000 0.153 0.000 1.002 56 A HN 1.068 nan 8.150 nan 0.000 0.502 57 A N 1.705 124.612 122.820 0.144 0.000 2.019 57 A HA 0.271 4.591 4.320 0.000 0.000 0.219 57 A C 1.075 178.800 177.584 0.235 0.000 1.164 57 A CA 1.806 53.913 52.037 0.117 0.000 0.644 57 A CB -0.949 18.032 19.000 -0.031 0.000 0.805 57 A HN 2.051 nan 8.150 nan 0.000 0.449 58 V N -3.385 116.639 119.914 0.184 0.000 2.914 58 V HA 0.845 4.965 4.120 0.000 0.000 0.314 58 V C -0.602 175.583 176.094 0.152 0.000 1.084 58 V CA 0.017 62.414 62.300 0.162 0.000 0.963 58 V CB 1.598 33.494 31.823 0.121 0.000 1.025 58 V HN 0.602 nan 8.190 nan 0.000 0.432 59 T N 1.059 115.684 114.554 0.119 0.000 2.843 59 T HA 0.750 5.100 4.350 0.000 0.000 0.302 59 T C -0.987 173.734 174.700 0.035 0.000 1.232 59 T CA -0.751 61.405 62.100 0.093 0.000 1.009 59 T CB 2.127 71.041 68.868 0.078 0.000 1.254 59 T HN 0.905 nan 8.240 nan 0.000 0.504 60 Q N 0.285 120.081 119.800 -0.007 0.000 2.397 60 Q HA 0.529 4.869 4.340 0.000 0.000 0.275 60 Q C -1.313 174.562 176.000 -0.207 0.000 1.090 60 Q CA -0.829 54.863 55.803 -0.185 0.000 0.809 60 Q CB 3.012 31.533 28.738 -0.361 0.000 1.362 60 Q HN 0.740 nan 8.270 nan 0.000 0.431 61 Q N 2.020 121.633 119.800 -0.312 0.000 2.331 61 Q HA 0.445 4.785 4.340 0.000 0.000 0.267 61 Q C -1.585 174.178 176.000 -0.396 0.000 1.006 61 Q CA -0.547 55.148 55.803 -0.180 0.000 0.818 61 Q CB 0.873 29.569 28.738 -0.069 0.000 1.276 61 Q HN 0.484 nan 8.270 nan 0.000 0.450 62 F N 2.853 122.768 119.950 -0.058 0.000 2.405 62 F HA 0.347 4.874 4.527 0.000 0.000 0.355 62 F C -0.133 175.580 175.800 -0.144 0.000 1.121 62 F CA -0.808 57.132 58.000 -0.099 0.000 1.112 62 F CB 1.292 40.222 39.000 -0.115 0.000 1.126 62 F HN 0.189 nan 8.300 nan 0.000 0.481 63 V N 5.516 125.381 119.914 -0.080 0.000 2.432 63 V HA 0.431 4.551 4.120 0.000 0.000 0.275 63 V C 0.121 176.082 176.094 -0.221 0.000 1.043 63 V CA -0.547 61.575 62.300 -0.296 0.000 0.925 63 V CB 1.099 32.743 31.823 -0.298 0.000 0.985 63 V HN 0.608 nan 8.190 nan 0.000 0.466 64 I N 3.038 123.436 120.570 -0.287 0.000 2.619 64 I HA 0.345 4.515 4.170 0.000 0.000 0.292 64 I C -0.927 175.083 176.117 -0.178 0.000 1.100 64 I CA -0.584 60.608 61.300 -0.181 0.000 1.043 64 I CB 2.515 40.416 38.000 -0.165 0.000 1.239 64 I HN 0.531 nan 8.210 nan 0.000 0.420 65 D N 4.309 124.645 120.400 -0.107 0.000 2.336 65 D HA 0.212 4.852 4.640 0.000 0.000 0.249 65 D C 1.069 177.356 176.300 -0.022 0.000 1.213 65 D CA 0.009 53.971 54.000 -0.064 0.000 0.870 65 D CB 1.649 42.422 40.800 -0.046 0.000 1.076 65 D HN 0.689 nan 8.370 nan 0.000 0.483 66 G N 3.357 112.177 108.800 0.034 0.000 2.572 66 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 66 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 66 G C 1.263 176.223 174.900 0.100 0.000 1.133 66 G CA 0.258 45.449 45.100 0.152 0.000 0.791 66 G HN 0.492 nan 8.290 nan 0.000 0.538 67 E N 1.172 121.403 120.200 0.051 0.000 2.072 67 E HA 0.112 4.462 4.350 0.000 0.000 0.190 67 E C 2.516 179.118 176.600 0.003 0.000 0.982 67 E CA 1.386 57.798 56.400 0.021 0.000 0.803 67 E CB -0.370 29.338 29.700 0.014 0.000 0.755 67 E HN 0.230 nan 8.360 nan 0.000 0.453 68 A N -0.690 122.128 122.820 -0.004 0.000 2.095 68 A HA 0.383 4.703 4.320 0.000 0.000 0.212 68 A C 1.658 179.231 177.584 -0.019 0.000 1.162 68 A CA 0.814 52.842 52.037 -0.014 0.000 0.753 68 A CB -0.424 18.565 19.000 -0.019 0.000 0.840 68 A HN 0.508 nan 8.150 nan 0.000 0.468 69 G N -0.648 108.143 108.800 -0.016 0.000 2.212 69 G HA2 -0.239 3.721 3.960 0.000 0.000 0.255 69 G HA3 -0.239 3.721 3.960 0.000 0.000 0.255 69 G C 0.058 174.929 174.900 -0.048 0.000 1.062 69 G CA 0.418 45.499 45.100 -0.032 0.000 0.815 69 G HN 0.739 nan 8.290 nan 0.000 0.497 70 R N -0.145 120.327 120.500 -0.047 0.000 2.494 70 R HA 0.552 4.892 4.340 0.000 0.000 0.305 70 R C 0.307 176.573 176.300 -0.057 0.000 0.959 70 R CA -0.794 55.277 56.100 -0.049 0.000 0.864 70 R CB 1.452 31.728 30.300 -0.039 0.000 1.159 70 R HN 0.094 nan 8.270 nan 0.000 0.446 71 V N 7.242 127.128 119.914 -0.046 0.000 2.434 71 V HA -0.016 4.104 4.120 0.000 0.000 0.281 71 V C 1.418 177.489 176.094 -0.038 0.000 1.005 71 V CA 0.515 62.799 62.300 -0.027 0.000 1.089 71 V CB 0.244 32.080 31.823 0.022 0.000 0.978 71 V HN 0.732 nan 8.190 nan 0.000 0.474 72 I N 2.019 122.550 120.570 -0.065 0.000 3.956 72 I HA 0.676 4.846 4.170 0.000 0.000 0.333 72 I C 0.818 176.895 176.117 -0.066 0.000 1.302 72 I CA 0.377 61.637 61.300 -0.066 0.000 1.122 72 I CB 0.295 38.248 38.000 -0.079 0.000 1.013 72 I HN 0.637 nan 8.210 nan 0.000 0.405 73 G N 0.953 109.709 108.800 -0.073 0.000 2.321 73 G HA2 0.560 4.520 3.960 0.000 0.000 0.296 73 G HA3 0.560 4.520 3.960 0.000 0.000 0.296 73 G C -1.601 173.229 174.900 -0.117 0.000 1.287 73 G CA -0.803 44.246 45.100 -0.084 0.000 0.846 73 G HN 0.047 nan 8.290 nan 0.000 0.508 74 M N -0.197 119.307 119.600 -0.159 0.000 2.578 74 M HA 0.555 5.035 4.480 0.000 0.000 0.276 74 M C -1.598 174.544 176.300 -0.263 0.000 1.245 74 M CA -0.713 54.434 55.300 -0.255 0.000 0.871 74 M CB 2.772 35.182 32.600 -0.318 0.000 1.722 74 M HN 0.359 nan 8.290 nan 0.000 0.473 75 I N 1.485 121.866 120.570 -0.314 0.000 2.499 75 I HA 0.308 4.478 4.170 0.000 0.000 0.288 75 I C -1.073 174.917 176.117 -0.211 0.000 1.048 75 I CA -0.588 60.503 61.300 -0.349 0.000 1.062 75 I CB 1.983 39.630 38.000 -0.589 0.000 1.238 75 I HN 0.601 nan 8.210 nan 0.000 0.426 76 D N 4.484 124.824 120.400 -0.100 0.000 2.372 76 D HA 0.517 5.158 4.640 0.000 0.000 0.243 76 D C 0.398 176.814 176.300 0.193 0.000 1.121 76 D CA 0.407 54.419 54.000 0.021 0.000 0.898 76 D CB 2.083 42.910 40.800 0.044 0.000 1.202 76 D HN 0.784 nan 8.370 nan 0.000 0.428 77 G N -0.700 108.197 108.800 0.160 0.000 2.694 77 G HA2 0.588 4.548 3.960 0.000 0.000 0.290 77 G HA3 0.588 4.548 3.960 0.000 0.000 0.290 77 G C -0.011 174.950 174.900 0.101 0.000 1.386 77 G CA -0.491 44.695 45.100 0.143 0.000 0.872 77 G HN 0.452 nan 8.290 nan 0.000 0.475 78 G N -0.892 107.943 108.800 0.059 0.000 3.022 78 G HA2 0.445 4.405 3.960 0.000 0.000 0.157 78 G HA3 0.445 4.405 3.960 0.000 0.000 0.157 78 G C -0.773 174.240 174.900 0.189 0.000 1.468 78 G CA -0.558 44.631 45.100 0.148 0.000 1.058 78 G HN 0.551 nan 8.290 nan 0.000 0.581 79 F N 1.175 121.162 119.950 0.062 0.000 2.421 79 F HA 0.477 5.004 4.527 0.000 0.000 0.358 79 F C 0.851 176.664 175.800 0.020 0.000 1.115 79 F CA -1.308 56.748 58.000 0.093 0.000 1.160 79 F CB -0.221 38.913 39.000 0.223 0.000 1.123 79 F HN 0.262 nan 8.300 nan 0.000 0.508 80 L N 5.282 126.334 121.223 -0.285 0.000 3.678 80 L HA -0.219 4.121 4.340 0.000 0.000 0.425 80 L C -2.230 174.494 176.870 -0.244 0.000 1.240 80 L CA -0.428 54.198 54.840 -0.358 0.000 0.876 80 L CB -1.605 40.040 42.059 -0.689 0.000 1.766 80 L HN 0.454 nan 8.230 nan 0.000 0.917 81 P HA 0.065 nan 4.420 nan 0.000 0.270 81 P C -0.334 176.891 177.300 -0.126 0.000 1.223 81 P CA 0.069 63.035 63.100 -0.223 0.000 0.785 81 P CB 0.443 31.955 31.700 -0.314 0.000 0.923 82 N N 2.028 120.660 118.700 -0.114 0.000 2.485 82 N HA 0.275 5.015 4.740 0.000 0.000 0.243 82 N C -2.341 173.180 175.510 0.018 0.000 0.987 82 N CA -1.440 51.587 53.050 -0.039 0.000 0.940 82 N CB 0.473 38.945 38.487 -0.026 0.000 1.122 82 N HN 0.351 nan 8.380 nan 0.000 0.509 83 P HA 0.204 nan 4.420 nan 0.000 0.282 83 P C -0.862 176.398 177.300 -0.066 0.000 1.249 83 P CA -0.441 62.672 63.100 0.022 0.000 0.806 83 P CB 1.442 33.137 31.700 -0.009 0.000 0.984 84 V N -0.340 119.527 119.914 -0.078 0.000 3.078 84 V HA 0.747 4.867 4.120 0.000 0.000 0.311 84 V C -0.987 174.957 176.094 -0.251 0.000 1.138 84 V CA -1.057 61.154 62.300 -0.149 0.000 1.007 84 V CB 2.163 33.954 31.823 -0.054 0.000 1.045 84 V HN 0.258 nan 8.190 nan 0.000 0.432 85 V N 1.887 121.609 119.914 -0.321 0.000 2.567 85 V HA 0.766 4.886 4.120 0.000 0.000 0.298 85 V C 0.567 176.408 176.094 -0.421 0.000 1.047 85 V CA -0.078 61.952 62.300 -0.449 0.000 0.880 85 V CB 1.513 33.013 31.823 -0.538 0.000 1.009 85 V HN 1.520 nan 8.190 nan 0.000 0.429 86 A N 2.854 125.256 122.820 -0.696 0.000 2.511 86 A HA 0.208 4.528 4.320 0.000 0.000 0.242 86 A C 1.114 178.542 177.584 -0.261 0.000 1.069 86 A CA 0.048 51.723 52.037 -0.604 0.000 0.763 86 A CB 0.033 18.403 19.000 -1.050 0.000 1.001 86 A HN 0.871 nan 8.150 nan 0.000 0.498 87 D N 1.258 121.584 120.400 -0.124 0.000 2.218 87 D HA -0.148 4.492 4.640 0.000 0.000 0.204 87 D C 1.151 177.431 176.300 -0.032 0.000 0.976 87 D CA 1.792 55.764 54.000 -0.047 0.000 0.853 87 D CB -0.048 40.750 40.800 -0.004 0.000 0.939 87 D HN 0.820 nan 8.370 nan 0.000 0.481 88 D N -0.909 119.471 120.400 -0.034 0.000 2.363 88 D HA 0.043 4.683 4.640 0.000 0.000 0.226 88 D C 1.526 177.828 176.300 0.002 0.000 1.020 88 D CA 0.925 54.925 54.000 -0.001 0.000 0.892 88 D CB -0.301 40.517 40.800 0.031 0.000 0.900 88 D HN 0.190 nan 8.370 nan 0.000 0.531 89 G N -0.013 108.770 108.800 -0.029 0.000 2.179 89 G HA2 -0.361 3.599 3.960 0.000 0.000 0.260 89 G HA3 -0.361 3.599 3.960 0.000 0.000 0.260 89 G C 1.169 176.086 174.900 0.028 0.000 0.977 89 G CA 0.893 45.996 45.100 0.006 0.000 0.641 89 G HN 0.688 nan 8.290 nan 0.000 0.533 90 S N -0.672 115.047 115.700 0.031 0.000 2.470 90 S HA 0.542 5.012 4.470 0.000 0.000 0.225 90 S C 0.649 175.430 174.600 0.301 0.000 1.006 90 S CA 1.156 59.456 58.200 0.167 0.000 0.934 90 S CB -0.213 63.136 63.200 0.249 0.000 0.778 90 S HN 1.869 nan 8.310 nan 0.000 0.517 91 F N -0.218 119.762 119.950 0.049 0.000 2.770 91 F HA 0.750 5.277 4.527 0.000 0.000 0.313 91 F C -1.395 174.427 175.800 0.037 0.000 1.154 91 F CA -2.059 55.974 58.000 0.055 0.000 0.923 91 F CB 0.803 39.829 39.000 0.042 0.000 1.301 91 F HN 0.093 nan 8.300 nan 0.000 0.449 92 I N 0.245 120.946 120.570 0.218 0.000 2.892 92 I HA 1.067 5.237 4.170 0.000 0.000 0.306 92 I C -0.848 175.479 176.117 0.350 0.000 1.078 92 I CA -1.204 60.123 61.300 0.044 0.000 1.032 92 I CB 1.951 39.893 38.000 -0.097 0.000 1.229 92 I HN 1.123 nan 8.210 nan 0.000 0.435 93 A N 2.162 125.117 122.820 0.225 0.000 2.602 93 A HA 0.870 5.190 4.320 0.000 0.000 0.290 93 A C -1.428 176.283 177.584 0.212 0.000 1.114 93 A CA -0.539 51.662 52.037 0.273 0.000 0.683 93 A CB 1.549 20.743 19.000 0.324 0.000 1.281 93 A HN 1.139 nan 8.150 nan 0.000 0.416 94 H N -1.333 117.840 119.070 0.172 0.000 3.046 94 H HA 0.781 5.337 4.556 0.000 0.000 0.361 94 H C -0.644 174.647 175.328 -0.061 0.000 1.235 94 H CA -0.683 55.397 56.048 0.052 0.000 1.146 94 H CB 1.745 31.540 29.762 0.054 0.000 1.859 94 H HN 1.076 nan 8.280 nan 0.000 0.548 95 A N 2.068 124.866 122.820 -0.036 0.000 2.289 95 A HA 0.542 4.862 4.320 0.000 0.000 0.298 95 A C -0.112 177.172 177.584 -0.500 0.000 1.208 95 A CA -0.004 51.865 52.037 -0.281 0.000 0.845 95 A CB 1.107 19.954 19.000 -0.254 0.000 1.125 95 A HN 0.696 nan 8.150 nan 0.000 0.517 96 S N 0.848 116.059 115.700 -0.815 0.000 2.732 96 S HA 0.872 5.342 4.470 0.000 0.000 0.293 96 S C -0.737 173.440 174.600 -0.705 0.000 1.159 96 S CA -0.328 57.364 58.200 -0.846 0.000 0.847 96 S CB 1.842 64.372 63.200 -1.117 0.000 1.169 96 S HN 0.842 nan 8.310 nan 0.000 0.501 97 T N 1.459 115.833 114.554 -0.300 0.000 3.109 97 T HA 0.585 4.935 4.350 0.000 0.000 0.311 97 T C -0.918 173.786 174.700 0.006 0.000 1.011 97 T CA -0.486 61.538 62.100 -0.128 0.000 1.026 97 T CB 1.073 69.888 68.868 -0.089 0.000 1.047 97 T HN 1.034 nan 8.240 nan 0.000 0.448 98 V N 0.473 120.345 119.914 -0.071 0.000 3.046 98 V HA 0.958 5.078 4.120 0.000 0.000 0.316 98 V C -1.417 174.397 176.094 -0.467 0.000 1.104 98 V CA -1.133 61.123 62.300 -0.072 0.000 1.006 98 V CB 1.744 33.599 31.823 0.054 0.000 1.058 98 V HN 0.706 nan 8.190 nan 0.000 0.440 99 F N 0.434 120.403 119.950 0.032 0.000 2.577 99 F HA 0.617 5.144 4.527 0.000 0.000 0.318 99 F C 1.474 177.269 175.800 -0.008 0.000 1.065 99 F CA -0.120 57.881 58.000 0.001 0.000 0.929 99 F CB 2.439 41.423 39.000 -0.026 0.000 1.237 99 F HN 0.681 nan 8.300 nan 0.000 0.468 100 S N 0.515 116.310 115.700 0.158 0.000 2.481 100 S HA 0.061 4.531 4.470 0.000 0.000 0.231 100 S C 0.828 175.471 174.600 0.072 0.000 0.996 100 S CA 0.656 58.903 58.200 0.078 0.000 0.942 100 S CB -0.084 63.144 63.200 0.046 0.000 0.768 100 S HN 0.515 nan 8.310 nan 0.000 0.520 101 R N 0.461 121.014 120.500 0.088 0.000 2.738 101 R HA 0.494 4.834 4.340 0.000 0.000 0.280 101 R C -0.017 176.295 176.300 0.020 0.000 1.456 101 R CA 0.003 56.126 56.100 0.038 0.000 1.612 101 R CB -0.720 29.588 30.300 0.014 0.000 1.286 101 R HN 0.415 nan 8.270 nan 0.000 0.660 102 I N -0.352 120.247 120.570 0.049 0.000 4.828 102 I HA -0.484 3.686 4.170 0.000 0.000 0.040 102 I C 1.060 177.165 176.117 -0.019 0.000 0.633 102 I CA 2.405 63.720 61.300 0.025 0.000 0.495 102 I CB -1.109 36.882 38.000 -0.016 0.000 0.501 102 I HN 0.420 nan 8.210 nan 0.000 0.152 103 A N 0.953 123.655 122.820 -0.196 0.000 2.603 103 A HA 0.607 4.927 4.320 0.000 0.000 0.277 103 A C 0.513 177.666 177.584 -0.719 0.000 1.158 103 A CA 0.451 52.148 52.037 -0.567 0.000 0.962 103 A CB 0.057 18.771 19.000 -0.478 0.000 1.189 103 A HN 0.593 nan 8.150 nan 0.000 0.552 104 R N -2.701 117.602 120.500 -0.329 0.000 2.846 104 R HA 0.781 5.121 4.340 0.000 0.000 0.263 104 R C 0.457 176.775 176.300 0.030 0.000 1.080 104 R CA -0.159 55.819 56.100 -0.204 0.000 0.961 104 R CB 0.283 30.489 30.300 -0.157 0.000 1.231 104 R HN 1.277 nan 8.270 nan 0.000 0.465 105 G N 0.612 109.452 108.800 0.066 0.000 2.512 105 G HA2 -0.219 3.741 3.960 0.000 0.000 0.210 105 G HA3 -0.219 3.741 3.960 0.000 0.000 0.210 105 G C -1.113 173.889 174.900 0.171 0.000 1.295 105 G CA -0.035 45.124 45.100 0.098 0.000 0.934 105 G HN 0.910 nan 8.290 nan 0.000 0.554 106 E N 0.218 120.488 120.200 0.116 0.000 2.376 106 E HA 0.384 4.734 4.350 0.000 0.000 0.266 106 E C 0.781 177.414 176.600 0.055 0.000 1.009 106 E CA -0.277 56.170 56.400 0.079 0.000 0.902 106 E CB 0.350 30.065 29.700 0.024 0.000 0.972 106 E HN 0.580 nan 8.360 nan 0.000 0.439 107 R N 2.950 123.439 120.500 -0.017 0.000 2.254 107 R HA 0.218 4.558 4.340 0.000 0.000 0.318 107 R C -1.107 175.046 176.300 -0.245 0.000 1.031 107 R CA -0.223 55.690 56.100 -0.312 0.000 0.905 107 R CB 0.998 31.170 30.300 -0.214 0.000 1.050 107 R HN 0.412 nan 8.270 nan 0.000 0.456 108 T N 4.009 118.391 114.554 -0.286 0.000 2.770 108 T HA 0.239 4.589 4.350 0.000 0.000 0.283 108 T C -1.105 173.562 174.700 -0.056 0.000 0.988 108 T CA -0.799 61.222 62.100 -0.132 0.000 0.957 108 T CB 1.237 70.052 68.868 -0.087 0.000 0.930 108 T HN 0.496 nan 8.240 nan 0.000 0.443 109 D N 2.593 122.947 120.400 -0.077 0.000 2.175 109 D HA 0.576 5.216 4.640 0.000 0.000 0.248 109 D C -0.501 175.784 176.300 -0.026 0.000 1.047 109 D CA -0.034 53.891 54.000 -0.125 0.000 0.883 109 D CB 1.161 41.816 40.800 -0.241 0.000 1.180 109 D HN 0.641 nan 8.370 nan 0.000 0.438 110 Y N -2.057 118.126 120.300 -0.196 0.000 2.604 110 Y HA 0.569 5.119 4.550 0.000 0.000 0.331 110 Y C -1.827 174.010 175.900 -0.106 0.000 1.158 110 Y CA -1.302 56.717 58.100 -0.134 0.000 1.056 110 Y CB 0.546 38.949 38.460 -0.095 0.000 1.330 110 Y HN 0.085 nan 8.280 nan 0.000 0.457 111 V N 2.771 122.680 119.914 -0.009 0.000 2.398 111 V HA 0.416 4.536 4.120 0.000 0.000 0.286 111 V C -0.522 175.637 176.094 0.108 0.000 1.026 111 V CA -0.627 61.673 62.300 0.001 0.000 0.868 111 V CB 1.397 33.234 31.823 0.024 0.000 0.982 111 V HN 0.825 nan 8.190 nan 0.000 0.443 112 E N 3.012 123.296 120.200 0.139 0.000 2.183 112 E HA 0.626 4.976 4.350 0.000 0.000 0.271 112 E C -1.332 175.071 176.600 -0.328 0.000 0.919 112 E CA -0.618 55.700 56.400 -0.137 0.000 0.781 112 E CB 2.574 32.118 29.700 -0.261 0.000 1.140 112 E HN 0.440 nan 8.360 nan 0.000 0.402 113 V N 3.626 123.269 119.914 -0.452 0.000 2.513 113 V HA 0.459 4.579 4.120 0.000 0.000 0.299 113 V C -0.786 174.989 176.094 -0.532 0.000 1.035 113 V CA -0.657 61.460 62.300 -0.304 0.000 0.889 113 V CB 0.664 32.367 31.823 -0.200 0.000 0.988 113 V HN 0.501 nan 8.190 nan 0.000 0.440 114 F N 1.205 121.192 119.950 0.061 0.000 2.546 114 F HA 0.406 4.933 4.527 0.000 0.000 0.320 114 F C 0.352 176.207 175.800 0.091 0.000 1.076 114 F CA -0.894 57.133 58.000 0.044 0.000 0.928 114 F CB 1.252 40.253 39.000 0.002 0.000 1.189 114 F HN 0.469 nan 8.300 nan 0.000 0.465 115 D N 4.092 124.643 120.400 0.251 0.000 2.425 115 D HA 0.069 4.709 4.640 0.000 0.000 0.247 115 D C -1.752 174.660 176.300 0.187 0.000 1.147 115 D CA -1.278 52.834 54.000 0.187 0.000 0.879 115 D CB 1.717 42.590 40.800 0.123 0.000 1.179 115 D HN 0.220 nan 8.370 nan 0.000 0.456 116 P HA -0.050 nan 4.420 nan 0.000 0.245 116 P C 1.109 178.465 177.300 0.093 0.000 1.212 116 P CA 0.270 63.456 63.100 0.145 0.000 0.774 116 P CB 0.316 32.105 31.700 0.148 0.000 0.999 117 V N -1.330 118.630 119.914 0.077 0.000 3.212 117 V HA 0.065 4.185 4.120 0.000 0.000 0.244 117 V C 2.004 178.122 176.094 0.040 0.000 1.151 117 V CA 1.691 64.019 62.300 0.047 0.000 1.119 117 V CB -0.871 30.975 31.823 0.038 0.000 0.838 117 V HN 0.147 nan 8.190 nan 0.000 0.470 118 T N -2.041 112.546 114.554 0.055 0.000 3.057 118 T HA 0.241 4.591 4.350 0.000 0.000 0.254 118 T C 1.252 175.987 174.700 0.058 0.000 1.094 118 T CA 0.655 62.784 62.100 0.049 0.000 1.088 118 T CB -0.294 68.606 68.868 0.052 0.000 0.934 118 T HN 0.606 nan 8.240 nan 0.000 0.497 119 L N -0.285 120.987 121.223 0.081 0.000 4.179 119 L HA -0.140 4.201 4.340 0.000 0.000 0.418 119 L C -0.157 176.829 176.870 0.192 0.000 1.168 119 L CA 0.054 54.949 54.840 0.090 0.000 0.972 119 L CB -1.977 40.072 42.059 -0.015 0.000 2.005 119 L HN 0.423 nan 8.230 nan 0.000 0.935 120 L N 1.305 122.640 121.223 0.186 0.000 2.326 120 L HA 0.413 4.753 4.340 0.000 0.000 0.278 120 L C -1.656 175.334 176.870 0.200 0.000 1.092 120 L CA -1.773 53.173 54.840 0.177 0.000 0.810 120 L CB 0.761 42.873 42.059 0.089 0.000 1.153 120 L HN -0.233 nan 8.230 nan 0.000 0.439 121 P HA 0.066 nan 4.420 nan 0.000 0.271 121 P C 0.212 177.442 177.300 -0.116 0.000 1.216 121 P CA -0.203 62.804 63.100 -0.155 0.000 0.771 121 P CB 0.730 32.329 31.700 -0.168 0.000 0.864 122 T N -0.748 113.706 114.554 -0.167 0.000 3.044 122 T HA 0.578 4.928 4.350 0.000 0.000 0.260 122 T C 0.405 175.030 174.700 -0.124 0.000 1.019 122 T CA -0.152 61.887 62.100 -0.102 0.000 0.921 122 T CB 0.207 69.036 68.868 -0.065 0.000 1.053 122 T HN 0.537 nan 8.240 nan 0.000 0.533 123 A N 0.685 123.401 122.820 -0.173 0.000 2.589 123 A HA 0.646 4.966 4.320 0.000 0.000 0.296 123 A C -2.092 175.412 177.584 -0.133 0.000 1.062 123 A CA -0.683 51.276 52.037 -0.130 0.000 0.686 123 A CB 1.646 20.570 19.000 -0.127 0.000 1.282 123 A HN 0.137 nan 8.150 nan 0.000 0.404 124 D N 1.848 122.208 120.400 -0.067 0.000 2.479 124 D HA 0.513 5.153 4.640 0.000 0.000 0.246 124 D C -1.597 174.711 176.300 0.013 0.000 1.336 124 D CA 0.047 54.037 54.000 -0.017 0.000 0.967 124 D CB 0.940 41.709 40.800 -0.053 0.000 1.275 124 D HN 0.421 nan 8.370 nan 0.000 0.577 125 I N 2.666 123.273 120.570 0.061 0.000 2.411 125 I HA 0.226 4.396 4.170 0.000 0.000 0.284 125 I C 0.491 176.660 176.117 0.086 0.000 1.012 125 I CA -0.691 60.648 61.300 0.065 0.000 1.119 125 I CB 2.016 40.060 38.000 0.073 0.000 1.261 125 I HN 0.178 nan 8.210 nan 0.000 0.448 126 E N 6.206 126.439 120.200 0.055 0.000 2.373 126 E HA 0.363 4.714 4.350 0.000 0.000 0.267 126 E C -1.125 175.450 176.600 -0.042 0.000 1.032 126 E CA -0.389 56.023 56.400 0.020 0.000 0.889 126 E CB 0.898 30.588 29.700 -0.017 0.000 0.984 126 E HN 0.469 nan 8.360 nan 0.000 0.425 127 L N 6.569 127.715 121.223 -0.129 0.000 2.287 127 L HA 0.422 4.762 4.340 0.000 0.000 0.287 127 L C -2.054 174.604 176.870 -0.353 0.000 1.022 127 L CA -2.330 52.322 54.840 -0.313 0.000 0.814 127 L CB 1.258 43.125 42.059 -0.320 0.000 1.217 127 L HN 0.436 nan 8.230 nan 0.000 0.420 128 P HA 0.056 nan 4.420 nan 0.000 0.271 128 P C -0.595 176.566 177.300 -0.233 0.000 1.216 128 P CA 0.092 63.000 63.100 -0.321 0.000 0.776 128 P CB 0.655 32.158 31.700 -0.329 0.000 0.881 129 D N 1.136 121.455 120.400 -0.137 0.000 2.835 129 D HA -0.191 4.449 4.640 0.000 0.000 0.230 129 D C 0.146 176.406 176.300 -0.067 0.000 1.130 129 D CA 1.246 55.196 54.000 -0.083 0.000 0.738 129 D CB -1.897 38.863 40.800 -0.066 0.000 1.090 129 D HN 0.732 nan 8.370 nan 0.000 0.433 130 A N -0.644 122.123 122.820 -0.087 0.000 2.261 130 A HA -0.171 4.149 4.320 0.000 0.000 0.282 130 A C -0.780 176.791 177.584 -0.022 0.000 1.403 130 A CA 0.933 52.929 52.037 -0.069 0.000 0.753 130 A CB -0.738 18.243 19.000 -0.032 0.000 1.125 130 A HN 0.334 nan 8.150 nan 0.000 0.358 131 P HA 0.013 nan 4.420 nan 0.000 0.249 131 P C 0.508 177.921 177.300 0.189 0.000 1.229 131 P CA 0.308 63.469 63.100 0.102 0.000 0.788 131 P CB 0.199 32.024 31.700 0.209 0.000 1.072 132 R N -0.032 120.489 120.500 0.036 0.000 2.694 132 R HA 0.214 4.554 4.340 0.000 0.000 0.268 132 R C -0.049 176.397 176.300 0.243 0.000 1.061 132 R CA -0.448 55.697 56.100 0.075 0.000 1.133 132 R CB 0.121 30.347 30.300 -0.124 0.000 1.020 132 R HN 0.001 nan 8.270 nan 0.000 0.475 133 F N 3.739 123.754 119.950 0.108 0.000 2.413 133 F HA 0.215 4.742 4.527 0.000 0.000 0.359 133 F C -0.432 175.363 175.800 -0.007 0.000 1.122 133 F CA -1.248 56.822 58.000 0.116 0.000 1.160 133 F CB 0.193 39.340 39.000 0.244 0.000 1.146 133 F HN 0.266 nan 8.300 nan 0.000 0.514 134 L N 7.936 129.128 121.223 -0.052 0.000 2.312 134 L HA 0.461 4.801 4.340 0.000 0.000 0.287 134 L C -0.281 176.224 176.870 -0.609 0.000 1.091 134 L CA -0.502 54.159 54.840 -0.299 0.000 0.846 134 L CB 0.619 42.632 42.059 -0.076 0.000 1.219 134 L HN 0.435 nan 8.230 nan 0.000 0.439 135 V N 2.388 121.840 119.914 -0.769 0.000 3.087 135 V HA 0.671 4.791 4.120 0.000 0.000 0.306 135 V C 0.360 176.188 176.094 -0.444 0.000 1.187 135 V CA -0.466 61.345 62.300 -0.815 0.000 0.999 135 V CB 2.318 33.234 31.823 -1.512 0.000 1.049 135 V HN 0.699 nan 8.190 nan 0.000 0.431 136 G N 2.594 111.343 108.800 -0.085 0.000 2.287 136 G HA2 0.232 4.192 3.960 0.000 0.000 0.235 136 G HA3 0.232 4.192 3.960 0.000 0.000 0.235 136 G C 0.170 175.188 174.900 0.196 0.000 1.258 136 G CA 0.484 45.754 45.100 0.284 0.000 0.884 136 G HN 0.979 nan 8.290 nan 0.000 0.518 137 T N 2.999 117.792 114.554 0.399 0.000 2.784 137 T HA 0.156 4.506 4.350 0.000 0.000 0.291 137 T C -0.654 174.383 174.700 0.562 0.000 0.942 137 T CA 0.558 62.843 62.100 0.309 0.000 1.161 137 T CB -0.060 68.967 68.868 0.265 0.000 0.885 137 T HN 0.306 nan 8.240 nan 0.000 0.534 138 Y N 4.033 124.401 120.300 0.114 0.000 2.369 138 Y HA 0.335 4.885 4.550 0.000 0.000 0.337 138 Y C -1.814 174.090 175.900 0.006 0.000 0.961 138 Y CA -3.769 54.299 58.100 -0.053 0.000 1.186 138 Y CB 0.784 39.168 38.460 -0.127 0.000 1.139 138 Y HN 0.461 nan 8.280 nan 0.000 0.494 139 P HA -0.166 nan 4.420 nan 0.000 0.217 139 P C 0.449 177.539 177.300 -0.351 0.000 1.148 139 P CA 1.897 64.870 63.100 -0.212 0.000 0.828 139 P CB 0.111 31.561 31.700 -0.415 0.000 0.783 140 W N -2.377 119.049 121.300 0.210 0.000 3.330 140 W HA 0.233 4.894 4.660 0.000 0.000 0.348 140 W C 1.462 178.013 176.519 0.054 0.000 1.205 140 W CA -0.315 57.102 57.345 0.120 0.000 1.841 140 W CB -0.252 29.277 29.460 0.116 0.000 1.084 140 W HN -0.155 nan 8.180 nan 0.000 0.665 141 M N -0.214 119.525 119.600 0.230 0.000 2.595 141 M HA 0.130 4.610 4.480 0.000 0.000 0.248 141 M C -0.008 176.405 176.300 0.188 0.000 1.119 141 M CA 1.104 56.509 55.300 0.175 0.000 1.079 141 M CB -0.756 31.951 32.600 0.178 0.000 1.472 141 M HN -0.326 nan 8.290 nan 0.000 0.501 142 T N 0.320 114.951 114.554 0.128 0.000 3.109 142 T HA 0.441 4.791 4.350 0.000 0.000 0.311 142 T C -0.775 173.975 174.700 0.083 0.000 1.011 142 T CA -0.519 61.660 62.100 0.132 0.000 1.026 142 T CB 2.054 70.990 68.868 0.113 0.000 1.047 142 T HN 0.001 nan 8.240 nan 0.000 0.448 143 S N 2.666 118.446 115.700 0.133 0.000 2.546 143 S HA 0.564 5.034 4.470 0.000 0.000 0.272 143 S C -0.556 174.173 174.600 0.215 0.000 1.140 143 S CA -0.884 57.439 58.200 0.205 0.000 0.920 143 S CB 1.138 64.565 63.200 0.379 0.000 1.083 143 S HN 0.557 nan 8.310 nan 0.000 0.476 144 L N 2.825 124.188 121.223 0.233 0.000 2.397 144 L HA 0.393 4.733 4.340 0.000 0.000 0.271 144 L C 1.266 178.305 176.870 0.280 0.000 1.148 144 L CA -0.518 54.468 54.840 0.243 0.000 0.825 144 L CB 0.528 42.718 42.059 0.218 0.000 1.117 144 L HN 0.804 nan 8.230 nan 0.000 0.456 145 T N -0.839 113.867 114.554 0.252 0.000 2.860 145 T HA 0.157 4.507 4.350 0.000 0.000 0.299 145 T C -1.836 172.995 174.700 0.219 0.000 1.045 145 T CA -1.472 60.776 62.100 0.247 0.000 1.071 145 T CB 0.899 69.897 68.868 0.218 0.000 0.985 145 T HN 0.380 nan 8.240 nan 0.000 0.537 146 P HA -0.092 nan 4.420 nan 0.000 0.217 146 P C 0.932 178.313 177.300 0.135 0.000 1.148 146 P CA 1.140 64.332 63.100 0.153 0.000 0.828 146 P CB -0.098 31.680 31.700 0.129 0.000 0.783 147 D N -2.118 118.364 120.400 0.137 0.000 2.328 147 D HA 0.093 4.733 4.640 0.000 0.000 0.226 147 D C 1.425 177.834 176.300 0.181 0.000 1.066 147 D CA 0.471 54.550 54.000 0.131 0.000 0.861 147 D CB -1.148 39.711 40.800 0.099 0.000 0.912 147 D HN 0.187 nan 8.370 nan 0.000 0.521 148 G N 0.851 109.792 108.800 0.236 0.000 2.196 148 G HA2 -0.430 3.530 3.960 0.000 0.000 0.268 148 G HA3 -0.430 3.530 3.960 0.000 0.000 0.268 148 G C 1.042 176.104 174.900 0.271 0.000 0.975 148 G CA 0.718 46.055 45.100 0.395 0.000 0.648 148 G HN 0.485 nan 8.290 nan 0.000 0.538 149 K N -0.289 120.204 120.400 0.156 0.000 2.418 149 K HA 0.208 4.528 4.320 0.000 0.000 0.195 149 K C 0.517 177.159 176.600 0.070 0.000 1.035 149 K CA 1.044 57.373 56.287 0.071 0.000 1.003 149 K CB 0.375 32.908 32.500 0.055 0.000 0.793 149 K HN 0.341 nan 8.250 nan 0.000 0.494 150 T N 0.658 115.289 114.554 0.128 0.000 2.952 150 T HA 0.361 4.712 4.350 0.000 0.000 0.305 150 T C -1.567 173.232 174.700 0.164 0.000 1.064 150 T CA -0.706 61.472 62.100 0.131 0.000 1.008 150 T CB 1.924 70.890 68.868 0.164 0.000 1.078 150 T HN 0.015 nan 8.240 nan 0.000 0.459 151 L N 4.084 125.395 121.223 0.147 0.000 2.322 151 L HA 0.730 5.070 4.340 0.000 0.000 0.281 151 L C -1.489 175.459 176.870 0.131 0.000 1.014 151 L CA -0.870 54.071 54.840 0.168 0.000 0.815 151 L CB 0.728 42.899 42.059 0.187 0.000 1.247 151 L HN 0.574 nan 8.230 nan 0.000 0.421 152 L N 5.580 126.852 121.223 0.083 0.000 2.329 152 L HA 0.577 4.917 4.340 0.000 0.000 0.279 152 L C -0.821 176.058 176.870 0.014 0.000 1.014 152 L CA -0.647 54.139 54.840 -0.090 0.000 0.814 152 L CB 1.592 43.479 42.059 -0.286 0.000 1.257 152 L HN 0.591 nan 8.230 nan 0.000 0.424 153 F N 1.059 120.976 119.950 -0.054 0.000 2.588 153 F HA 0.544 5.071 4.527 0.000 0.000 0.314 153 F C -1.151 174.682 175.800 0.054 0.000 1.069 153 F CA -1.238 56.774 58.000 0.020 0.000 0.931 153 F CB 1.051 40.076 39.000 0.041 0.000 1.260 153 F HN 0.252 nan 8.300 nan 0.000 0.465 154 Y N 2.639 123.033 120.300 0.158 0.000 2.308 154 Y HA 0.356 4.906 4.550 0.000 0.000 0.329 154 Y C -0.281 175.750 175.900 0.219 0.000 1.111 154 Y CA -0.354 57.790 58.100 0.073 0.000 1.179 154 Y CB 1.140 39.674 38.460 0.124 0.000 1.201 154 Y HN 0.845 nan 8.280 nan 0.000 0.483 155 Q N 5.439 124.897 119.800 -0.570 0.000 2.282 155 Q HA 0.207 4.547 4.340 0.000 0.000 0.260 155 Q C -0.794 174.718 176.000 -0.813 0.000 0.964 155 Q CA -0.523 55.045 55.803 -0.391 0.000 0.880 155 Q CB 1.089 29.710 28.738 -0.195 0.000 1.286 155 Q HN 0.885 nan 8.270 nan 0.000 0.445 156 F N 2.201 121.810 119.950 -0.568 0.000 2.343 156 F HA 0.268 4.795 4.527 0.000 0.000 0.286 156 F C 0.408 176.065 175.800 -0.237 0.000 1.057 156 F CA 0.510 58.198 58.000 -0.520 0.000 1.365 156 F CB 0.662 39.172 39.000 -0.816 0.000 1.114 156 F HN 0.469 nan 8.300 nan 0.000 0.545 157 S N 0.443 116.041 115.700 -0.171 0.000 2.542 157 S HA 0.470 4.940 4.470 0.000 0.000 0.293 157 S C -2.011 172.542 174.600 -0.077 0.000 1.089 157 S CA -1.319 56.770 58.200 -0.185 0.000 0.961 157 S CB 1.506 64.703 63.200 -0.005 0.000 1.062 157 S HN 0.037 nan 8.310 nan 0.000 0.483 158 P HA 0.285 nan 4.420 nan 0.000 0.231 158 P C 0.006 177.204 177.300 -0.171 0.000 1.168 158 P CA 0.377 63.414 63.100 -0.105 0.000 0.779 158 P CB 0.084 31.748 31.700 -0.060 0.000 0.844 159 A N 0.172 122.875 122.820 -0.196 0.000 2.572 159 A HA 0.647 4.967 4.320 0.000 0.000 0.295 159 A C -3.004 174.416 177.584 -0.274 0.000 1.072 159 A CA -1.862 50.048 52.037 -0.211 0.000 0.691 159 A CB 1.032 19.949 19.000 -0.138 0.000 1.291 159 A HN -0.202 nan 8.150 nan 0.000 0.404 160 P HA 0.431 nan 4.420 nan 0.000 0.267 160 P C -0.366 176.754 177.300 -0.300 0.000 1.205 160 P CA 0.505 63.407 63.100 -0.330 0.000 0.765 160 P CB 1.190 32.773 31.700 -0.194 0.000 0.828 161 A N 2.991 125.540 122.820 -0.451 0.000 2.610 161 A HA 0.613 4.933 4.320 0.000 0.000 0.291 161 A C -1.545 175.807 177.584 -0.386 0.000 1.086 161 A CA -0.555 51.293 52.037 -0.316 0.000 0.677 161 A CB 1.438 20.291 19.000 -0.246 0.000 1.278 161 A HN 0.255 nan 8.150 nan 0.000 0.414 162 V N 1.046 120.771 119.914 -0.314 0.000 2.443 162 V HA 0.611 4.731 4.120 0.000 0.000 0.293 162 V C 0.788 176.521 176.094 -0.601 0.000 1.021 162 V CA -0.096 61.942 62.300 -0.437 0.000 0.848 162 V CB 1.532 33.149 31.823 -0.343 0.000 0.998 162 V HN 1.417 nan 8.190 nan 0.000 0.424 163 G N 3.636 111.788 108.800 -1.081 0.000 2.378 163 G HA2 0.456 4.416 3.960 0.000 0.000 0.255 163 G HA3 0.456 4.416 3.960 0.000 0.000 0.255 163 G C -0.489 174.007 174.900 -0.674 0.000 1.270 163 G CA -0.155 44.325 45.100 -1.033 0.000 0.876 163 G HN 0.569 nan 8.290 nan 0.000 0.521 164 V N 3.161 122.794 119.914 -0.468 0.000 2.350 164 V HA 0.314 4.434 4.120 0.000 0.000 0.276 164 V C -0.013 175.916 176.094 -0.275 0.000 1.028 164 V CA -0.609 61.477 62.300 -0.356 0.000 0.860 164 V CB 1.326 32.900 31.823 -0.415 0.000 0.990 164 V HN 0.496 nan 8.190 nan 0.000 0.453 165 V N 3.667 123.568 119.914 -0.021 0.000 2.384 165 V HA 0.358 4.478 4.120 0.000 0.000 0.287 165 V C -0.269 175.845 176.094 0.033 0.000 1.020 165 V CA -0.626 61.709 62.300 0.058 0.000 0.850 165 V CB 1.943 33.899 31.823 0.222 0.000 0.987 165 V HN 0.911 nan 8.190 nan 0.000 0.436 166 D N 4.122 124.524 120.400 0.004 0.000 2.365 166 D HA 0.266 4.906 4.640 0.000 0.000 0.237 166 D C 0.841 177.142 176.300 0.000 0.000 1.190 166 D CA -0.013 53.992 54.000 0.008 0.000 0.867 166 D CB 1.151 41.948 40.800 -0.006 0.000 1.050 166 D HN 0.425 nan 8.370 nan 0.000 0.491 167 L N 2.826 124.039 121.223 -0.017 0.000 2.131 167 L HA 0.004 4.344 4.340 0.000 0.000 0.206 167 L C 2.203 179.003 176.870 -0.118 0.000 1.087 167 L CA 0.564 55.352 54.840 -0.088 0.000 0.767 167 L CB -0.167 41.794 42.059 -0.164 0.000 0.917 167 L HN 0.529 nan 8.230 nan 0.000 0.441 168 E N 0.531 120.683 120.200 -0.081 0.000 2.047 168 E HA -0.166 4.184 4.350 0.000 0.000 0.191 168 E C 1.980 178.549 176.600 -0.051 0.000 0.987 168 E CA 1.173 57.530 56.400 -0.072 0.000 0.799 168 E CB -0.060 29.618 29.700 -0.037 0.000 0.752 168 E HN 0.431 nan 8.360 nan 0.000 0.449 169 G N 0.129 108.910 108.800 -0.031 0.000 2.985 169 G HA2 -0.080 3.880 3.960 0.000 0.000 0.209 169 G HA3 -0.080 3.880 3.960 0.000 0.000 0.209 169 G C -0.119 174.770 174.900 -0.017 0.000 1.165 169 G CA 0.009 45.097 45.100 -0.020 0.000 0.776 169 G HN 0.196 nan 8.290 nan 0.000 0.541 170 K N -1.022 119.362 120.400 -0.027 0.000 3.257 170 K HA -0.114 4.206 4.320 0.000 0.000 0.270 170 K C -0.080 176.530 176.600 0.018 0.000 0.984 170 K CA 0.346 56.623 56.287 -0.017 0.000 0.739 170 K CB -1.922 30.560 32.500 -0.031 0.000 1.351 170 K HN 0.647 nan 8.250 nan 0.000 0.463 171 A N 0.847 123.689 122.820 0.037 0.000 2.488 171 A HA 0.624 4.944 4.320 0.000 0.000 0.298 171 A C -0.787 176.863 177.584 0.110 0.000 1.044 171 A CA -0.855 51.227 52.037 0.075 0.000 0.693 171 A CB 0.837 19.866 19.000 0.049 0.000 1.272 171 A HN 0.283 nan 8.150 nan 0.000 0.402 172 F N 2.306 122.277 119.950 0.035 0.000 2.572 172 F HA 0.362 4.889 4.527 0.000 0.000 0.370 172 F C 0.920 176.744 175.800 0.040 0.000 1.103 172 F CA 0.557 58.590 58.000 0.055 0.000 1.286 172 F CB 0.777 39.815 39.000 0.062 0.000 1.105 172 F HN 0.598 nan 8.300 nan 0.000 0.583 173 K N 4.802 124.678 120.400 -0.874 0.000 2.253 173 K HA 0.260 4.580 4.320 0.000 0.000 0.225 173 K C -0.048 176.068 176.600 -0.807 0.000 1.037 173 K CA 0.519 56.458 56.287 -0.581 0.000 0.928 173 K CB -0.206 32.085 32.500 -0.348 0.000 1.057 173 K HN 0.796 nan 8.250 nan 0.000 0.462 174 R N -0.833 119.073 120.500 -0.990 0.000 2.741 174 R HA 0.366 4.706 4.340 0.000 0.000 0.274 174 R C -1.111 175.020 176.300 -0.282 0.000 1.029 174 R CA -0.720 55.112 56.100 -0.446 0.000 0.880 174 R CB 0.469 30.663 30.300 -0.177 0.000 1.264 174 R HN -0.114 nan 8.270 nan 0.000 0.465 175 M N 2.341 121.935 119.600 -0.010 0.000 2.157 175 M HA 0.387 4.867 4.480 0.000 0.000 0.354 175 M C -0.458 175.762 176.300 -0.134 0.000 1.170 175 M CA -0.613 54.648 55.300 -0.065 0.000 1.060 175 M CB 0.841 33.455 32.600 0.022 0.000 1.615 175 M HN 0.489 nan 8.290 nan 0.000 0.460 176 L N 3.442 124.542 121.223 -0.205 0.000 2.276 176 L HA 0.277 4.617 4.340 0.000 0.000 0.286 176 L C 0.086 176.888 176.870 -0.114 0.000 1.061 176 L CA -0.713 54.031 54.840 -0.160 0.000 0.807 176 L CB 0.737 42.682 42.059 -0.190 0.000 1.177 176 L HN 0.502 nan 8.230 nan 0.000 0.429 177 D N 2.932 123.285 120.400 -0.080 0.000 2.383 177 D HA 0.311 4.951 4.640 0.000 0.000 0.252 177 D C -0.069 176.199 176.300 -0.054 0.000 1.166 177 D CA 0.202 54.159 54.000 -0.072 0.000 0.879 177 D CB 1.706 42.474 40.800 -0.054 0.000 1.164 177 D HN 0.254 nan 8.370 nan 0.000 0.462 178 V N 0.361 120.241 119.914 -0.057 0.000 3.126 178 V HA 0.736 4.856 4.120 0.000 0.000 0.314 178 V C -2.658 173.416 176.094 -0.033 0.000 1.138 178 V CA -2.041 60.241 62.300 -0.029 0.000 1.034 178 V CB 1.670 33.514 31.823 0.035 0.000 1.075 178 V HN 0.247 nan 8.190 nan 0.000 0.442 179 P HA 0.240 nan 4.420 nan 0.000 0.282 179 P C -0.621 176.662 177.300 -0.027 0.000 1.286 179 P CA -0.232 62.877 63.100 0.014 0.000 0.777 179 P CB 0.202 31.959 31.700 0.097 0.000 1.184 180 D N -0.081 120.316 120.400 -0.004 0.000 2.671 180 D HA 0.113 4.753 4.640 0.000 0.000 0.228 180 D C -0.288 175.939 176.300 -0.122 0.000 1.102 180 D CA 0.444 54.416 54.000 -0.046 0.000 1.044 180 D CB -0.824 40.010 40.800 0.056 0.000 1.113 180 D HN 0.188 nan 8.370 nan 0.000 0.480 181 c N 0.727 119.120 118.600 -0.345 0.000 2.913 181 c HA 0.642 5.212 4.570 0.000 0.000 0.322 181 c C -0.654 172.982 174.090 -0.757 0.000 1.292 181 c CA -0.927 55.218 56.329 -0.307 0.000 1.649 181 c CB 1.160 43.665 42.510 -0.008 0.000 2.139 181 c HN 0.372 nan 8.230 nan 0.000 0.475 182 Y N -0.983 119.382 120.300 0.109 0.000 2.513 182 Y HA 0.594 5.144 4.550 0.000 0.000 0.340 182 Y C -0.114 175.893 175.900 0.178 0.000 1.055 182 Y CA -0.293 57.728 58.100 -0.132 0.000 1.020 182 Y CB 0.713 39.177 38.460 0.007 0.000 1.301 182 Y HN 0.993 nan 8.280 nan 0.000 0.453 183 H N 0.431 119.461 119.070 -0.066 0.000 4.796 183 H HA -0.057 4.499 4.556 0.000 0.000 0.258 183 H C -1.650 173.483 175.328 -0.326 0.000 0.528 183 H CA 0.194 56.173 56.048 -0.116 0.000 0.683 183 H CB -0.335 29.402 29.762 -0.043 0.000 0.880 183 H HN 0.671 nan 8.280 nan 0.000 0.305 184 I N 1.610 121.888 120.570 -0.486 0.000 2.534 184 I HA 0.275 4.445 4.170 0.000 0.000 0.286 184 I C -1.018 174.797 176.117 -0.503 0.000 1.094 184 I CA -0.224 60.874 61.300 -0.336 0.000 1.055 184 I CB 1.006 38.879 38.000 -0.212 0.000 1.225 184 I HN 0.265 nan 8.210 nan 0.000 0.435 185 F N 6.925 126.940 119.950 0.107 0.000 2.552 185 F HA 0.460 4.987 4.527 0.000 0.000 0.369 185 F C -2.523 173.301 175.800 0.039 0.000 1.112 185 F CA -2.677 55.093 58.000 -0.383 0.000 1.129 185 F CB 0.892 39.249 39.000 -1.073 0.000 1.360 185 F HN 0.133 nan 8.300 nan 0.000 0.473 186 P HA 0.239 nan 4.420 nan 0.000 0.279 186 P C 0.677 178.251 177.300 0.455 0.000 1.239 186 P CA -0.169 63.207 63.100 0.460 0.000 0.789 186 P CB 1.125 33.066 31.700 0.401 0.000 0.933 187 T N -0.939 113.847 114.554 0.387 0.000 3.003 187 T HA 0.648 4.998 4.350 0.000 0.000 0.261 187 T C 0.372 175.199 174.700 0.211 0.000 1.003 187 T CA -0.047 62.237 62.100 0.307 0.000 0.917 187 T CB 0.155 69.208 68.868 0.310 0.000 1.084 187 T HN 0.526 nan 8.240 nan 0.000 0.522 188 A N 1.322 124.264 122.820 0.203 0.000 2.540 188 A HA 0.696 5.016 4.320 0.000 0.000 0.291 188 A C -2.527 175.125 177.584 0.113 0.000 1.083 188 A CA -1.184 50.928 52.037 0.125 0.000 0.650 188 A CB 0.161 19.201 19.000 0.067 0.000 1.292 188 A HN -0.096 nan 8.150 nan 0.000 0.435 189 P HA -0.052 nan 4.420 nan 0.000 0.219 189 P C 0.062 177.323 177.300 -0.066 0.000 1.146 189 P CA 2.123 65.244 63.100 0.036 0.000 0.808 189 P CB 0.063 31.763 31.700 -0.001 0.000 0.779 190 D N -3.498 116.768 120.400 -0.225 0.000 2.692 190 D HA 0.109 4.749 4.640 0.000 0.000 0.290 190 D C -0.664 175.346 176.300 -0.484 0.000 1.455 190 D CA -0.301 53.239 54.000 -0.766 0.000 0.796 190 D CB -0.537 39.751 40.800 -0.853 0.000 1.131 190 D HN -0.122 nan 8.370 nan 0.000 0.467 191 T N 0.714 115.240 114.554 -0.046 0.000 2.991 191 T HA 0.593 4.943 4.350 0.000 0.000 0.303 191 T C -0.957 173.874 174.700 0.218 0.000 1.015 191 T CA -0.755 61.332 62.100 -0.021 0.000 1.007 191 T CB 1.081 69.927 68.868 -0.038 0.000 1.034 191 T HN 0.203 nan 8.240 nan 0.000 0.446 192 F N 0.586 120.575 119.950 0.066 0.000 2.645 192 F HA 0.904 5.431 4.527 0.000 0.000 0.310 192 F C -2.004 173.781 175.800 -0.026 0.000 1.102 192 F CA -1.845 56.240 58.000 0.143 0.000 0.952 192 F CB 0.940 40.036 39.000 0.161 0.000 1.326 192 F HN 0.350 nan 8.300 nan 0.000 0.456 193 F N 1.928 122.022 119.950 0.239 0.000 2.483 193 F HA 0.816 5.343 4.527 0.000 0.000 0.329 193 F C 0.050 176.072 175.800 0.371 0.000 1.064 193 F CA -0.869 57.248 58.000 0.196 0.000 0.986 193 F CB 2.140 41.227 39.000 0.144 0.000 1.218 193 F HN 0.401 nan 8.300 nan 0.000 0.484 194 M N 1.172 121.056 119.600 0.473 0.000 2.631 194 M HA 0.311 4.791 4.480 0.000 0.000 0.288 194 M C -1.286 175.357 176.300 0.571 0.000 1.260 194 M CA -0.777 54.805 55.300 0.470 0.000 0.842 194 M CB 2.843 35.618 32.600 0.292 0.000 1.743 194 M HN 0.556 nan 8.290 nan 0.000 0.461 195 H N 0.739 120.134 119.070 0.543 0.000 2.511 195 H HA 0.454 5.010 4.556 0.000 0.000 0.328 195 H C -1.627 173.948 175.328 0.411 0.000 1.044 195 H CA -0.604 55.733 56.048 0.482 0.000 1.212 195 H CB 1.088 31.112 29.762 0.437 0.000 1.428 195 H HN 0.763 nan 8.280 nan 0.000 0.483 196 c N 5.048 123.554 118.600 -0.157 0.000 2.398 196 c HA 0.205 4.775 4.570 0.000 0.000 0.364 196 c C 2.167 176.161 174.090 -0.159 0.000 1.219 196 c CA -0.737 55.562 56.329 -0.049 0.000 2.312 196 c CB 0.950 43.533 42.510 0.120 0.000 2.428 196 c HN 0.971 nan 8.230 nan 0.000 0.564 197 R N 1.407 121.963 120.500 0.094 0.000 2.139 197 R HA -0.183 4.157 4.340 0.000 0.000 0.243 197 R C 1.191 177.475 176.300 -0.026 0.000 1.145 197 R CA 2.511 58.660 56.100 0.082 0.000 0.976 197 R CB -0.298 30.106 30.300 0.173 0.000 0.866 197 R HN 0.924 nan 8.270 nan 0.000 0.449 198 D N -1.345 119.024 120.400 -0.053 0.000 2.349 198 D HA 0.055 4.695 4.640 0.000 0.000 0.224 198 D C 1.038 177.202 176.300 -0.227 0.000 1.029 198 D CA 0.771 54.708 54.000 -0.106 0.000 0.879 198 D CB 0.079 40.829 40.800 -0.083 0.000 0.906 198 D HN 0.405 nan 8.370 nan 0.000 0.528 199 G N 0.192 108.824 108.800 -0.279 0.000 2.143 199 G HA2 -0.274 3.686 3.960 0.000 0.000 0.248 199 G HA3 -0.274 3.686 3.960 0.000 0.000 0.248 199 G C 0.373 175.084 174.900 -0.314 0.000 0.991 199 G CA 0.554 45.342 45.100 -0.521 0.000 0.689 199 G HN 0.807 nan 8.290 nan 0.000 0.522 200 S N -0.903 114.800 115.700 0.005 0.000 2.707 200 S HA 0.823 5.293 4.470 0.000 0.000 0.276 200 S C 0.255 175.163 174.600 0.514 0.000 1.179 200 S CA -0.954 57.428 58.200 0.304 0.000 0.992 200 S CB 1.841 65.204 63.200 0.272 0.000 1.030 200 S HN 0.615 nan 8.310 nan 0.000 0.554 201 L N 1.060 122.631 121.223 0.581 0.000 2.309 201 L HA 0.643 4.983 4.340 0.000 0.000 0.282 201 L C 0.239 177.266 176.870 0.262 0.000 1.036 201 L CA -0.919 54.208 54.840 0.478 0.000 0.806 201 L CB 1.484 43.818 42.059 0.458 0.000 1.220 201 L HN 0.907 nan 8.230 nan 0.000 0.429 202 A N 3.866 126.737 122.820 0.086 0.000 2.289 202 A HA 0.392 4.712 4.320 0.000 0.000 0.298 202 A C -0.341 177.086 177.584 -0.262 0.000 1.208 202 A CA -0.494 51.401 52.037 -0.237 0.000 0.845 202 A CB 0.636 19.388 19.000 -0.413 0.000 1.125 202 A HN 0.719 nan 8.150 nan 0.000 0.517 203 K N 2.420 122.551 120.400 -0.450 0.000 2.156 203 K HA 0.577 4.897 4.320 0.000 0.000 0.271 203 K C -1.451 174.762 176.600 -0.645 0.000 0.995 203 K CA -0.328 55.424 56.287 -0.892 0.000 0.890 203 K CB 1.061 33.057 32.500 -0.841 0.000 1.073 203 K HN 0.398 nan 8.250 nan 0.000 0.454 204 V N 2.842 122.283 119.914 -0.790 0.000 2.443 204 V HA 0.577 4.697 4.120 0.000 0.000 0.293 204 V C -0.850 174.901 176.094 -0.571 0.000 1.021 204 V CA -0.913 60.966 62.300 -0.702 0.000 0.848 204 V CB 1.232 32.417 31.823 -1.063 0.000 0.998 204 V HN 0.904 nan 8.190 nan 0.000 0.424 205 A N 5.671 128.321 122.820 -0.283 0.000 2.343 205 A HA 0.963 5.283 4.320 0.000 0.000 0.308 205 A C -0.966 176.597 177.584 -0.035 0.000 1.092 205 A CA -0.460 51.467 52.037 -0.184 0.000 0.751 205 A CB 1.030 19.918 19.000 -0.188 0.000 1.203 205 A HN 1.068 nan 8.150 nan 0.000 0.452 206 F N 1.184 121.078 119.950 -0.093 0.000 2.540 206 F HA 0.834 5.361 4.527 0.000 0.000 0.317 206 F C 0.425 176.209 175.800 -0.027 0.000 1.104 206 F CA -0.811 57.161 58.000 -0.048 0.000 0.913 206 F CB 1.065 40.063 39.000 -0.004 0.000 1.170 206 F HN 0.675 nan 8.300 nan 0.000 0.450 207 G N 1.130 109.979 108.800 0.083 0.000 2.563 207 G HA2 0.375 4.335 3.960 0.000 0.000 0.283 207 G HA3 0.375 4.335 3.960 0.000 0.000 0.283 207 G C 0.379 175.343 174.900 0.107 0.000 1.309 207 G CA -0.259 44.854 45.100 0.023 0.000 1.022 207 G HN 0.815 nan 8.290 nan 0.000 0.501 208 T N 0.243 114.830 114.554 0.054 0.000 2.759 208 T HA -0.015 4.335 4.350 0.000 0.000 0.269 208 T C 0.511 175.248 174.700 0.062 0.000 1.042 208 T CA 1.293 63.432 62.100 0.065 0.000 1.140 208 T CB -0.129 68.756 68.868 0.028 0.000 0.864 208 T HN 0.503 nan 8.240 nan 0.000 0.455 209 E N 0.109 120.338 120.200 0.049 0.000 2.336 209 E HA 0.568 4.918 4.350 0.000 0.000 0.267 209 E C 0.432 177.054 176.600 0.036 0.000 0.906 209 E CA -0.466 55.954 56.400 0.033 0.000 0.781 209 E CB 2.060 31.771 29.700 0.018 0.000 1.261 209 E HN 0.304 nan 8.360 nan 0.000 0.436 210 G N 0.716 109.530 108.800 0.023 0.000 2.681 210 G HA2 -0.237 3.723 3.960 0.000 0.000 0.220 210 G HA3 -0.237 3.723 3.960 0.000 0.000 0.220 210 G C -0.297 174.616 174.900 0.021 0.000 1.353 210 G CA -0.206 44.904 45.100 0.017 0.000 0.872 210 G HN 0.588 nan 8.290 nan 0.000 0.557 211 T N 2.918 117.479 114.554 0.013 0.000 2.897 211 T HA 0.603 4.953 4.350 0.000 0.000 0.294 211 T C -1.393 173.318 174.700 0.018 0.000 1.004 211 T CA -0.279 61.825 62.100 0.006 0.000 1.106 211 T CB 0.696 69.562 68.868 -0.003 0.000 0.949 211 T HN 0.656 nan 8.240 nan 0.000 0.520 212 P HA 0.260 nan 4.420 nan 0.000 0.274 212 P C -0.742 176.545 177.300 -0.022 0.000 1.231 212 P CA -0.430 62.684 63.100 0.024 0.000 0.790 212 P CB 0.570 32.278 31.700 0.014 0.000 0.951 213 E N 1.500 121.675 120.200 -0.040 0.000 2.180 213 E HA 0.296 4.646 4.350 0.000 0.000 0.283 213 E C -0.816 175.714 176.600 -0.116 0.000 1.061 213 E CA -0.115 56.246 56.400 -0.064 0.000 0.861 213 E CB -0.557 29.105 29.700 -0.063 0.000 1.056 213 E HN 0.262 nan 8.360 nan 0.000 0.407 214 I N 3.825 124.334 120.570 -0.102 0.000 2.377 214 I HA 0.313 4.483 4.170 0.000 0.000 0.293 214 I C -0.268 175.789 176.117 -0.100 0.000 0.987 214 I CA -0.367 60.841 61.300 -0.153 0.000 1.185 214 I CB 2.145 40.060 38.000 -0.143 0.000 1.341 214 I HN 0.357 nan 8.210 nan 0.000 0.455 215 T N 4.337 118.800 114.554 -0.151 0.000 2.930 215 T HA 0.345 4.695 4.350 0.000 0.000 0.313 215 T C -0.418 174.263 174.700 -0.031 0.000 1.019 215 T CA -0.568 61.505 62.100 -0.045 0.000 1.004 215 T CB 0.173 69.009 68.868 -0.053 0.000 0.987 215 T HN 0.369 nan 8.240 nan 0.000 0.456 216 H N 2.178 121.261 119.070 0.021 0.000 2.562 216 H HA 0.301 4.857 4.556 0.000 0.000 0.352 216 H C 1.076 176.473 175.328 0.115 0.000 1.125 216 H CA -0.073 56.015 56.048 0.067 0.000 1.379 216 H CB 1.239 31.031 29.762 0.051 0.000 1.464 216 H HN 0.630 nan 8.280 nan 0.000 0.563 217 T N 0.264 115.005 114.554 0.311 0.000 2.788 217 T HA 0.074 4.425 4.350 0.000 0.000 0.280 217 T C 0.478 175.324 174.700 0.244 0.000 0.984 217 T CA -1.175 61.118 62.100 0.322 0.000 0.972 217 T CB 1.000 70.175 68.868 0.511 0.000 1.039 217 T HN 0.438 nan 8.240 nan 0.000 0.530 218 E N 0.540 120.847 120.200 0.179 0.000 2.481 218 E HA 0.074 4.424 4.350 0.000 0.000 0.263 218 E C -0.006 176.616 176.600 0.037 0.000 0.992 218 E CA 0.015 56.445 56.400 0.051 0.000 0.938 218 E CB 0.490 30.171 29.700 -0.032 0.000 0.933 218 E HN 0.464 nan 8.360 nan 0.000 0.453 219 V N 4.682 124.578 119.914 -0.030 0.000 2.540 219 V HA -0.136 3.984 4.120 0.000 0.000 0.297 219 V C 0.848 176.834 176.094 -0.180 0.000 1.024 219 V CA 0.794 63.027 62.300 -0.113 0.000 1.105 219 V CB -0.567 31.142 31.823 -0.188 0.000 0.938 219 V HN 0.629 nan 8.190 nan 0.000 0.482 220 F N 2.869 122.606 119.950 -0.356 0.000 2.746 220 F HA 0.485 5.012 4.527 0.000 0.000 0.320 220 F C 0.294 175.932 175.800 -0.270 0.000 1.097 220 F CA -0.566 57.166 58.000 -0.446 0.000 1.195 220 F CB -0.322 38.212 39.000 -0.777 0.000 1.056 220 F HN 0.656 nan 8.300 nan 0.000 0.562 221 H N -1.626 117.039 119.070 -0.675 0.000 3.038 221 H HA 0.691 5.247 4.556 0.000 0.000 0.362 221 H C -3.372 171.731 175.328 -0.375 0.000 1.167 221 H CA -2.425 53.303 56.048 -0.533 0.000 1.197 221 H CB 1.015 30.291 29.762 -0.809 0.000 1.840 221 H HN -0.208 nan 8.280 nan 0.000 0.540 222 P HA 0.059 nan 4.420 nan 0.000 0.271 222 P C 0.157 177.324 177.300 -0.223 0.000 1.233 222 P CA -0.244 62.725 63.100 -0.218 0.000 0.789 222 P CB 1.263 32.874 31.700 -0.148 0.000 0.951 223 E N 0.257 120.330 120.200 -0.211 0.000 2.150 223 E HA -0.173 4.177 4.350 0.000 0.000 0.193 223 E C 0.857 177.281 176.600 -0.293 0.000 0.985 223 E CA 1.324 57.621 56.400 -0.171 0.000 0.814 223 E CB -0.135 29.513 29.700 -0.087 0.000 0.752 223 E HN 0.581 nan 8.360 nan 0.000 0.466 224 D N 0.398 120.582 120.400 -0.360 0.000 2.342 224 D HA -0.059 4.581 4.640 0.000 0.000 0.221 224 D C -0.019 175.694 176.300 -0.979 0.000 1.101 224 D CA 0.065 53.710 54.000 -0.592 0.000 0.837 224 D CB -0.176 40.511 40.800 -0.189 0.000 0.938 224 D HN 0.090 nan 8.370 nan 0.000 0.508 225 E N 0.551 120.273 120.200 -0.797 0.000 2.081 225 E HA 0.245 4.595 4.350 0.000 0.000 0.276 225 E C -1.147 174.967 176.600 -0.811 0.000 0.950 225 E CA -0.742 55.251 56.400 -0.678 0.000 0.776 225 E CB 0.446 29.981 29.700 -0.276 0.000 1.094 225 E HN -0.130 nan 8.360 nan 0.000 0.402 226 F N 4.736 124.460 119.950 -0.378 0.000 2.371 226 F HA 0.274 4.801 4.527 0.000 0.000 0.363 226 F C -0.229 175.267 175.800 -0.506 0.000 1.122 226 F CA -0.852 56.789 58.000 -0.597 0.000 1.129 226 F CB 0.453 38.778 39.000 -1.124 0.000 1.173 226 F HN 0.379 nan 8.300 nan 0.000 0.489 227 L N 5.334 126.358 121.223 -0.333 0.000 2.281 227 L HA 0.329 4.669 4.340 0.000 0.000 0.285 227 L C 0.554 177.495 176.870 0.118 0.000 1.074 227 L CA -0.407 54.218 54.840 -0.359 0.000 0.817 227 L CB 0.223 41.530 42.059 -1.253 0.000 1.168 227 L HN 0.507 nan 8.230 nan 0.000 0.434 228 I N 0.052 120.874 120.570 0.420 0.000 3.045 228 I HA 0.019 4.189 4.170 0.000 0.000 0.288 228 I C 1.010 177.357 176.117 0.383 0.000 1.238 228 I CA -0.083 61.477 61.300 0.435 0.000 1.396 228 I CB 0.451 38.668 38.000 0.362 0.000 1.355 228 I HN 0.534 nan 8.210 nan 0.000 0.601 229 N N 1.449 120.196 118.700 0.078 0.000 2.520 229 N HA -0.112 4.628 4.740 0.000 0.000 0.185 229 N C -0.139 174.946 175.510 -0.708 0.000 1.068 229 N CA 1.150 53.955 53.050 -0.409 0.000 0.911 229 N CB -0.488 37.378 38.487 -1.035 0.000 0.961 229 N HN 0.672 nan 8.380 nan 0.000 0.446 230 H N -0.641 118.277 119.070 -0.253 0.000 2.386 230 H HA 0.263 4.819 4.556 0.000 0.000 0.232 230 H C -2.239 172.963 175.328 -0.210 0.000 1.416 230 H CA -1.472 54.454 56.048 -0.202 0.000 1.285 230 H CB 0.781 30.410 29.762 -0.222 0.000 1.625 230 H HN 0.120 nan 8.280 nan 0.000 0.521 231 P HA 0.169 nan 4.420 nan 0.000 0.272 231 P C -0.199 176.972 177.300 -0.216 0.000 1.240 231 P CA -0.333 62.362 63.100 -0.674 0.000 0.791 231 P CB 1.218 31.841 31.700 -1.794 0.000 0.978 232 A N 1.750 124.480 122.820 -0.151 0.000 2.301 232 A HA 0.516 4.836 4.320 0.000 0.000 0.312 232 A C -1.329 176.174 177.584 -0.135 0.000 1.182 232 A CA -0.313 51.749 52.037 0.042 0.000 0.826 232 A CB 0.197 19.283 19.000 0.144 0.000 1.134 232 A HN 0.581 nan 8.150 nan 0.000 0.501 233 Y N 2.036 122.192 120.300 -0.240 0.000 2.332 233 Y HA 0.509 5.059 4.550 0.000 0.000 0.325 233 Y C -0.259 175.532 175.900 -0.182 0.000 1.054 233 Y CA -0.815 56.962 58.100 -0.538 0.000 1.119 233 Y CB 1.922 39.636 38.460 -1.243 0.000 1.168 233 Y HN 0.588 nan 8.280 nan 0.000 0.439 234 S N 5.799 121.185 115.700 -0.523 0.000 2.404 234 S HA 0.162 4.632 4.470 0.000 0.000 0.309 234 S C 0.907 174.993 174.600 -0.857 0.000 1.076 234 S CA -0.357 57.611 58.200 -0.387 0.000 1.095 234 S CB 0.926 64.129 63.200 0.004 0.000 0.972 234 S HN 1.004 nan 8.310 nan 0.000 0.484 235 Q N 4.652 123.928 119.800 -0.873 0.000 2.124 235 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 235 Q C 1.641 177.490 176.000 -0.252 0.000 0.977 235 Q CA 1.426 56.819 55.803 -0.683 0.000 0.850 235 Q CB -0.037 28.597 28.738 -0.173 0.000 0.901 235 Q HN 0.719 nan 8.270 nan 0.000 0.429 236 K N -0.324 119.989 120.400 -0.146 0.000 2.103 236 K HA -0.132 4.189 4.320 0.000 0.000 0.207 236 K C 1.869 178.432 176.600 -0.062 0.000 1.048 236 K CA 1.225 57.473 56.287 -0.066 0.000 0.930 236 K CB -0.081 32.397 32.500 -0.036 0.000 0.716 236 K HN 0.264 nan 8.250 nan 0.000 0.444 237 A N 0.086 122.860 122.820 -0.077 0.000 2.123 237 A HA 0.150 4.470 4.320 0.000 0.000 0.214 237 A C 1.466 178.999 177.584 -0.085 0.000 1.152 237 A CA 0.967 52.983 52.037 -0.035 0.000 0.728 237 A CB -0.192 18.855 19.000 0.079 0.000 0.814 237 A HN 0.418 nan 8.150 nan 0.000 0.464 238 G N -0.876 107.830 108.800 -0.157 0.000 2.168 238 G HA2 -0.307 3.653 3.960 0.000 0.000 0.257 238 G HA3 -0.307 3.653 3.960 0.000 0.000 0.257 238 G C 0.312 175.138 174.900 -0.124 0.000 0.997 238 G CA 0.658 45.701 45.100 -0.095 0.000 0.708 238 G HN 0.723 nan 8.290 nan 0.000 0.520 239 R N 0.096 120.464 120.500 -0.221 0.000 2.202 239 R HA 0.658 4.998 4.340 0.000 0.000 0.334 239 R C -0.024 176.087 176.300 -0.317 0.000 1.036 239 R CA -0.695 55.210 56.100 -0.324 0.000 0.878 239 R CB 0.409 30.370 30.300 -0.565 0.000 1.067 239 R HN 0.243 nan 8.270 nan 0.000 0.457 240 L N 5.794 126.837 121.223 -0.301 0.000 2.287 240 L HA 0.505 4.845 4.340 0.000 0.000 0.287 240 L C -1.197 175.476 176.870 -0.328 0.000 1.022 240 L CA -0.941 53.675 54.840 -0.374 0.000 0.814 240 L CB 1.584 43.322 42.059 -0.536 0.000 1.217 240 L HN 0.446 nan 8.230 nan 0.000 0.420 241 V N 5.020 124.746 119.914 -0.313 0.000 2.350 241 V HA 0.347 4.467 4.120 0.000 0.000 0.285 241 V C -0.938 175.113 176.094 -0.071 0.000 1.014 241 V CA -0.507 61.692 62.300 -0.169 0.000 0.831 241 V CB 1.728 33.447 31.823 -0.173 0.000 1.000 241 V HN 0.650 nan 8.190 nan 0.000 0.433 242 W N 8.358 129.623 121.300 -0.058 0.000 2.453 242 W HA 0.492 5.152 4.660 0.000 0.000 0.310 242 W C -2.928 173.618 176.519 0.046 0.000 1.000 242 W CA -2.858 54.473 57.345 -0.023 0.000 1.367 242 W CB 2.278 31.712 29.460 -0.044 0.000 1.269 242 W HN 0.395 nan 8.180 nan 0.000 0.418 243 P HA 0.136 nan 4.420 nan 0.000 0.275 243 P C 0.309 177.776 177.300 0.278 0.000 1.228 243 P CA 0.492 63.754 63.100 0.269 0.000 0.786 243 P CB 1.146 32.973 31.700 0.212 0.000 0.927 244 T N -0.686 113.965 114.554 0.160 0.000 2.884 244 T HA 0.233 4.583 4.350 0.000 0.000 0.277 244 T C 0.761 175.608 174.700 0.245 0.000 0.976 244 T CA -0.154 62.017 62.100 0.118 0.000 0.956 244 T CB 0.155 69.026 68.868 0.006 0.000 1.113 244 T HN 0.153 nan 8.240 nan 0.000 0.554 245 Y N 0.762 121.105 120.300 0.071 0.000 2.483 245 Y HA 0.036 4.586 4.550 0.000 0.000 0.291 245 Y C 2.874 178.788 175.900 0.024 0.000 1.143 245 Y CA 1.311 59.444 58.100 0.054 0.000 1.289 245 Y CB -1.125 37.340 38.460 0.008 0.000 0.983 245 Y HN 0.904 nan 8.280 nan 0.000 0.556 246 T N -5.208 109.446 114.554 0.166 0.000 3.040 246 T HA 0.413 4.763 4.350 0.000 0.000 0.250 246 T C 1.690 176.434 174.700 0.073 0.000 1.058 246 T CA 0.523 62.674 62.100 0.086 0.000 0.988 246 T CB 0.174 69.064 68.868 0.036 0.000 0.993 246 T HN 0.322 nan 8.240 nan 0.000 0.519 247 G N 1.630 110.483 108.800 0.087 0.000 2.176 247 G HA2 -0.245 3.715 3.960 0.000 0.000 0.232 247 G HA3 -0.245 3.715 3.960 0.000 0.000 0.232 247 G C -0.035 174.880 174.900 0.025 0.000 0.986 247 G CA 0.052 45.196 45.100 0.072 0.000 0.643 247 G HN 0.855 nan 8.290 nan 0.000 0.522 248 K N 0.531 120.928 120.400 -0.005 0.000 2.436 248 K HA 0.505 4.825 4.320 0.000 0.000 0.275 248 K C 0.082 176.632 176.600 -0.083 0.000 0.999 248 K CA -0.122 56.121 56.287 -0.074 0.000 0.980 248 K CB 0.145 32.568 32.500 -0.127 0.000 0.919 248 K HN 0.225 nan 8.250 nan 0.000 0.484 249 I N 5.226 125.723 120.570 -0.123 0.000 2.411 249 I HA 0.146 4.316 4.170 0.000 0.000 0.284 249 I C -0.368 175.671 176.117 -0.130 0.000 1.012 249 I CA -0.855 60.408 61.300 -0.063 0.000 1.119 249 I CB 1.180 39.181 38.000 0.002 0.000 1.261 249 I HN 0.620 nan 8.210 nan 0.000 0.448 250 H N 6.378 125.523 119.070 0.125 0.000 2.690 250 H HA 0.293 4.849 4.556 0.000 0.000 0.314 250 H C -0.473 174.916 175.328 0.102 0.000 1.069 250 H CA 0.020 56.170 56.048 0.169 0.000 1.436 250 H CB 1.099 31.060 29.762 0.332 0.000 1.462 250 H HN 0.502 nan 8.280 nan 0.000 0.511 251 Q N 3.064 122.942 119.800 0.130 0.000 2.316 251 Q HA 0.426 4.766 4.340 0.000 0.000 0.264 251 Q C -0.611 175.337 176.000 -0.087 0.000 0.987 251 Q CA -0.859 54.932 55.803 -0.019 0.000 0.852 251 Q CB 2.102 30.803 28.738 -0.063 0.000 1.287 251 Q HN 0.461 nan 8.270 nan 0.000 0.448 252 I N 1.421 121.847 120.570 -0.241 0.000 2.436 252 I HA 0.168 4.338 4.170 0.000 0.000 0.289 252 I C -0.533 175.338 176.117 -0.409 0.000 1.010 252 I CA -0.550 60.479 61.300 -0.453 0.000 1.098 252 I CB 1.731 39.321 38.000 -0.684 0.000 1.266 252 I HN 0.401 nan 8.210 nan 0.000 0.434 253 D N 6.584 126.748 120.400 -0.393 0.000 2.396 253 D HA 0.299 4.939 4.640 0.000 0.000 0.225 253 D C 0.289 176.374 176.300 -0.358 0.000 1.121 253 D CA -0.057 53.761 54.000 -0.303 0.000 0.853 253 D CB 1.042 41.719 40.800 -0.205 0.000 1.043 253 D HN 0.489 nan 8.370 nan 0.000 0.500 254 L N 2.759 123.775 121.223 -0.346 0.000 2.628 254 L HA 0.010 4.350 4.340 0.000 0.000 0.229 254 L C 2.191 178.957 176.870 -0.173 0.000 1.137 254 L CA -0.010 54.591 54.840 -0.398 0.000 0.909 254 L CB -0.018 41.770 42.059 -0.452 0.000 1.137 254 L HN 0.327 nan 8.230 nan 0.000 0.470 255 S N -0.551 115.075 115.700 -0.123 0.000 2.442 255 S HA -0.165 4.306 4.470 0.000 0.000 0.236 255 S C 1.951 176.535 174.600 -0.027 0.000 1.007 255 S CA 1.291 59.457 58.200 -0.056 0.000 0.965 255 S CB -0.298 62.870 63.200 -0.054 0.000 0.773 255 S HN 0.526 nan 8.310 nan 0.000 0.504 256 S N -0.150 115.527 115.700 -0.039 0.000 2.575 256 S HA 0.464 4.934 4.470 0.000 0.000 0.215 256 S C 1.568 176.190 174.600 0.036 0.000 0.966 256 S CA 0.374 58.571 58.200 -0.005 0.000 0.911 256 S CB -0.536 62.655 63.200 -0.015 0.000 0.780 256 S HN 1.490 nan 8.310 nan 0.000 0.514 257 G N 0.792 109.628 108.800 0.060 0.000 2.155 257 G HA2 -0.193 3.767 3.960 0.000 0.000 0.257 257 G HA3 -0.193 3.767 3.960 0.000 0.000 0.257 257 G C -0.438 174.658 174.900 0.328 0.000 0.983 257 G CA 0.392 45.620 45.100 0.213 0.000 0.676 257 G HN 0.576 nan 8.290 nan 0.000 0.528 258 D N -0.148 120.339 120.400 0.144 0.000 2.738 258 D HA 0.610 5.250 4.640 0.000 0.000 0.237 258 D C 0.348 176.562 176.300 -0.143 0.000 1.123 258 D CA 0.321 54.412 54.000 0.152 0.000 0.856 258 D CB 1.700 42.548 40.800 0.079 0.000 1.552 258 D HN 0.517 nan 8.370 nan 0.000 0.480 259 A N 2.343 125.052 122.820 -0.184 0.000 2.451 259 A HA 0.198 4.518 4.320 0.000 0.000 0.266 259 A C 0.207 177.517 177.584 -0.458 0.000 1.119 259 A CA 0.274 51.997 52.037 -0.524 0.000 0.786 259 A CB 0.264 18.964 19.000 -0.500 0.000 1.061 259 A HN 0.281 nan 8.150 nan 0.000 0.503 260 K N 3.202 123.284 120.400 -0.530 0.000 2.483 260 K HA 0.350 4.670 4.320 0.000 0.000 0.256 260 K C -1.625 174.728 176.600 -0.411 0.000 0.961 260 K CA -0.261 55.834 56.287 -0.319 0.000 0.873 260 K CB 0.793 33.180 32.500 -0.189 0.000 1.107 260 K HN 0.612 nan 8.250 nan 0.000 0.432 261 F N 4.274 124.161 119.950 -0.104 0.000 2.438 261 F HA 0.132 4.659 4.527 0.000 0.000 0.360 261 F C 0.644 176.413 175.800 -0.052 0.000 1.118 261 F CA -0.573 57.368 58.000 -0.099 0.000 1.164 261 F CB 0.320 39.281 39.000 -0.065 0.000 1.131 261 F HN 0.170 nan 8.300 nan 0.000 0.527 262 L N 5.388 126.649 121.223 0.064 0.000 2.439 262 L HA 0.390 4.730 4.340 0.000 0.000 0.261 262 L C -1.843 175.073 176.870 0.075 0.000 1.153 262 L CA -2.855 52.008 54.840 0.039 0.000 0.808 262 L CB -0.384 41.665 42.059 -0.016 0.000 1.126 262 L HN 0.353 nan 8.230 nan 0.000 0.460 263 P HA 0.141 nan 4.420 nan 0.000 0.264 263 P C -0.710 176.607 177.300 0.028 0.000 1.193 263 P CA -0.163 62.960 63.100 0.039 0.000 0.763 263 P CB 0.376 32.086 31.700 0.017 0.000 0.810 264 A N 3.026 125.861 122.820 0.024 0.000 2.429 264 A HA 0.418 4.738 4.320 0.000 0.000 0.242 264 A C -0.078 177.476 177.584 -0.049 0.000 1.088 264 A CA 0.143 52.158 52.037 -0.037 0.000 0.784 264 A CB 0.253 19.197 19.000 -0.094 0.000 1.038 264 A HN 0.433 nan 8.150 nan 0.000 0.501 265 V N 0.919 120.789 119.914 -0.074 0.000 3.048 265 V HA 0.344 4.464 4.120 0.000 0.000 0.303 265 V C -1.168 174.886 176.094 -0.067 0.000 1.214 265 V CA -0.760 61.505 62.300 -0.057 0.000 0.984 265 V CB 2.280 34.080 31.823 -0.039 0.000 1.054 265 V HN 0.975 nan 8.190 nan 0.000 0.430 266 E N 2.430 122.595 120.200 -0.059 0.000 2.134 266 E HA 0.484 4.834 4.350 0.000 0.000 0.278 266 E C 0.634 177.202 176.600 -0.053 0.000 0.959 266 E CA -0.015 56.352 56.400 -0.055 0.000 0.783 266 E CB 2.027 31.695 29.700 -0.054 0.000 1.095 266 E HN 0.777 nan 8.360 nan 0.000 0.399 267 A N 4.213 127.010 122.820 -0.038 0.000 2.015 267 A HA -0.002 4.318 4.320 0.000 0.000 0.219 267 A C 0.866 178.410 177.584 -0.067 0.000 1.163 267 A CA 0.839 52.852 52.037 -0.040 0.000 0.646 267 A CB 0.117 19.116 19.000 -0.002 0.000 0.806 267 A HN 0.506 nan 8.150 nan 0.000 0.448 268 L N 0.547 121.735 121.223 -0.060 0.000 2.346 268 L HA 0.339 4.679 4.340 0.000 0.000 0.276 268 L C 0.565 177.377 176.870 -0.098 0.000 1.006 268 L CA -0.781 54.005 54.840 -0.091 0.000 0.817 268 L CB 2.064 44.104 42.059 -0.032 0.000 1.272 268 L HN 0.278 nan 8.230 nan 0.000 0.421 269 T N -2.290 112.178 114.554 -0.144 0.000 2.856 269 T HA 0.005 4.355 4.350 0.000 0.000 0.306 269 T C 0.994 175.642 174.700 -0.088 0.000 1.062 269 T CA -0.211 61.817 62.100 -0.121 0.000 1.083 269 T CB 1.131 69.912 68.868 -0.146 0.000 0.984 269 T HN 0.803 nan 8.240 nan 0.000 0.542 270 E N 1.166 121.326 120.200 -0.067 0.000 2.097 270 E HA -0.213 4.137 4.350 0.000 0.000 0.196 270 E C 2.314 178.890 176.600 -0.040 0.000 1.000 270 E CA 1.359 57.732 56.400 -0.045 0.000 0.804 270 E CB -0.644 29.033 29.700 -0.038 0.000 0.740 270 E HN 0.835 nan 8.360 nan 0.000 0.454 271 A N 1.054 123.840 122.820 -0.057 0.000 1.865 271 A HA -0.270 4.050 4.320 0.000 0.000 0.217 271 A C 1.964 179.522 177.584 -0.043 0.000 1.191 271 A CA 1.906 53.913 52.037 -0.050 0.000 0.623 271 A CB -0.695 18.265 19.000 -0.067 0.000 0.826 271 A HN 0.381 nan 8.150 nan 0.000 0.444 272 E N -0.624 119.504 120.200 -0.121 0.000 2.049 272 E HA -0.245 4.105 4.350 0.000 0.000 0.198 272 E C 2.354 179.014 176.600 0.101 0.000 1.007 272 E CA 1.460 57.763 56.400 -0.162 0.000 0.809 272 E CB -0.229 29.188 29.700 -0.472 0.000 0.749 272 E HN 0.518 nan 8.360 nan 0.000 0.450 273 R N 0.241 120.771 120.500 0.050 0.000 2.096 273 R HA -0.185 4.155 4.340 0.000 0.000 0.240 273 R C 2.415 178.758 176.300 0.073 0.000 1.139 273 R CA 1.368 57.514 56.100 0.077 0.000 0.952 273 R CB -0.424 29.892 30.300 0.027 0.000 0.854 273 R HN 0.159 nan 8.270 nan 0.000 0.436 274 A N 0.869 123.717 122.820 0.046 0.000 1.978 274 A HA -0.179 4.141 4.320 0.000 0.000 0.220 274 A C 1.436 179.056 177.584 0.059 0.000 1.170 274 A CA 1.676 53.735 52.037 0.037 0.000 0.636 274 A CB -0.280 18.731 19.000 0.018 0.000 0.810 274 A HN 0.172 nan 8.150 nan 0.000 0.448 275 D N -1.188 119.276 120.400 0.106 0.000 2.352 275 D HA 0.260 4.900 4.640 0.000 0.000 0.232 275 D C 1.256 177.642 176.300 0.144 0.000 1.055 275 D CA 1.054 55.144 54.000 0.150 0.000 0.891 275 D CB -0.225 40.730 40.800 0.259 0.000 0.897 275 D HN 0.577 nan 8.370 nan 0.000 0.529 276 G N 0.110 108.976 108.800 0.110 0.000 2.137 276 G HA2 -0.265 3.695 3.960 0.000 0.000 0.237 276 G HA3 -0.265 3.695 3.960 0.000 0.000 0.237 276 G C -0.217 174.668 174.900 -0.025 0.000 1.002 276 G CA -0.328 44.782 45.100 0.017 0.000 0.702 276 G HN 0.163 nan 8.290 nan 0.000 0.515 277 W N 0.253 121.521 121.300 -0.054 0.000 2.316 277 W HA 0.790 5.450 4.660 0.000 0.000 0.311 277 W C 0.941 177.439 176.519 -0.035 0.000 1.217 277 W CA -0.370 56.940 57.345 -0.058 0.000 1.199 277 W CB 0.726 30.134 29.460 -0.087 0.000 1.202 277 W HN 0.205 nan 8.180 nan 0.000 0.528 278 R N 3.367 123.972 120.500 0.175 0.000 2.739 278 R HA 0.398 4.738 4.340 0.000 0.000 0.271 278 R C -2.490 173.896 176.300 0.145 0.000 1.010 278 R CA -2.028 54.147 56.100 0.124 0.000 0.897 278 R CB 1.956 32.283 30.300 0.045 0.000 1.236 278 R HN 0.113 nan 8.270 nan 0.000 0.466 279 P HA 0.175 nan 4.420 nan 0.000 0.270 279 P C -0.591 176.780 177.300 0.118 0.000 1.223 279 P CA -0.082 63.107 63.100 0.148 0.000 0.785 279 P CB 0.795 32.587 31.700 0.153 0.000 0.923 280 G N -1.299 107.576 108.800 0.125 0.000 2.691 280 G HA2 0.591 4.551 3.960 0.000 0.000 0.298 280 G HA3 0.591 4.551 3.960 0.000 0.000 0.298 280 G C -0.752 174.219 174.900 0.119 0.000 1.471 280 G CA 0.065 45.226 45.100 0.103 0.000 0.912 280 G HN 0.817 nan 8.290 nan 0.000 0.553 281 G N -0.083 108.792 108.800 0.125 0.000 2.288 281 G HA2 0.115 4.075 3.960 0.000 0.000 0.227 281 G HA3 0.115 4.075 3.960 0.000 0.000 0.227 281 G C 0.232 175.266 174.900 0.222 0.000 1.339 281 G CA 0.305 45.502 45.100 0.161 0.000 1.057 281 G HN 0.981 nan 8.290 nan 0.000 0.470 282 W N 0.434 121.699 121.300 -0.059 0.000 3.549 282 W HA 0.297 4.957 4.660 0.000 0.000 0.260 282 W C 0.616 176.895 176.519 -0.401 0.000 1.572 282 W CA 0.671 57.883 57.345 -0.222 0.000 2.140 282 W CB 0.088 29.433 29.460 -0.192 0.000 1.431 282 W HN 0.476 nan 8.180 nan 0.000 0.525 283 Q N 2.457 122.127 119.800 -0.218 0.000 2.641 283 Q HA -0.016 4.324 4.340 0.000 0.000 0.225 283 Q C 0.878 176.911 176.000 0.055 0.000 1.309 283 Q CA 0.203 55.942 55.803 -0.107 0.000 0.935 283 Q CB 0.636 29.411 28.738 0.061 0.000 1.557 283 Q HN 0.395 nan 8.270 nan 0.000 0.563 284 Q N 0.243 120.082 119.800 0.065 0.000 2.311 284 Q HA 0.018 4.358 4.340 0.000 0.000 0.203 284 Q C 0.422 176.514 176.000 0.153 0.000 0.954 284 Q CA 0.530 56.407 55.803 0.124 0.000 0.885 284 Q CB 0.643 29.462 28.738 0.135 0.000 0.963 284 Q HN 0.347 nan 8.270 nan 0.000 0.471 285 V N -0.292 119.715 119.914 0.154 0.000 2.735 285 V HA 0.784 4.904 4.120 0.000 0.000 0.310 285 V C -1.588 174.634 176.094 0.215 0.000 1.061 285 V CA -0.621 61.788 62.300 0.182 0.000 0.913 285 V CB 1.768 33.681 31.823 0.150 0.000 1.005 285 V HN 0.102 nan 8.190 nan 0.000 0.428 286 A N 5.066 128.057 122.820 0.285 0.000 2.430 286 A HA 0.901 5.221 4.320 0.000 0.000 0.300 286 A C -1.956 175.907 177.584 0.466 0.000 1.124 286 A CA -0.598 51.621 52.037 0.303 0.000 0.766 286 A CB 1.840 20.937 19.000 0.162 0.000 1.328 286 A HN 1.393 nan 8.150 nan 0.000 0.424 287 Y N 1.288 121.741 120.300 0.256 0.000 2.332 287 Y HA 0.397 4.947 4.550 0.000 0.000 0.325 287 Y C -0.761 175.294 175.900 0.258 0.000 1.054 287 Y CA -0.506 57.755 58.100 0.269 0.000 1.119 287 Y CB 1.203 39.742 38.460 0.130 0.000 1.168 287 Y HN 0.834 nan 8.280 nan 0.000 0.439 288 H N 6.935 125.875 119.070 -0.217 0.000 2.604 288 H HA 0.267 4.823 4.556 0.000 0.000 0.306 288 H C 0.941 175.842 175.328 -0.711 0.000 1.075 288 H CA 0.225 56.093 56.048 -0.300 0.000 1.357 288 H CB 1.262 31.009 29.762 -0.025 0.000 1.426 288 H HN 1.018 nan 8.280 nan 0.000 0.470 289 R N 3.902 124.038 120.500 -0.607 0.000 2.062 289 R HA -0.056 4.284 4.340 0.000 0.000 0.229 289 R C 1.665 177.861 176.300 -0.173 0.000 1.128 289 R CA 1.425 57.295 56.100 -0.382 0.000 0.960 289 R CB -0.131 30.090 30.300 -0.130 0.000 0.855 289 R HN 0.568 nan 8.270 nan 0.000 0.432 290 A N 1.077 123.815 122.820 -0.138 0.000 1.929 290 A HA 0.013 4.333 4.320 0.000 0.000 0.216 290 A C 2.150 179.804 177.584 0.117 0.000 1.176 290 A CA 0.840 52.887 52.037 0.016 0.000 0.628 290 A CB -0.333 18.688 19.000 0.034 0.000 0.816 290 A HN 0.357 nan 8.150 nan 0.000 0.444 291 L N -1.089 120.319 121.223 0.309 0.000 2.395 291 L HA -0.042 4.298 4.340 0.000 0.000 0.218 291 L C 0.615 177.508 176.870 0.037 0.000 1.130 291 L CA 0.697 55.608 54.840 0.119 0.000 0.826 291 L CB -0.391 41.644 42.059 -0.041 0.000 0.941 291 L HN 0.460 nan 8.230 nan 0.000 0.451 292 D N 1.183 121.569 120.400 -0.023 0.000 2.697 292 D HA -0.206 4.434 4.640 0.000 0.000 0.238 292 D C 0.040 176.346 176.300 0.010 0.000 1.152 292 D CA 0.634 54.615 54.000 -0.031 0.000 0.666 292 D CB -0.319 40.529 40.800 0.080 0.000 1.037 292 D HN 0.277 nan 8.370 nan 0.000 0.423 293 R N 0.204 120.658 120.500 -0.077 0.000 2.670 293 R HA 0.710 5.050 4.340 0.000 0.000 0.289 293 R C 0.014 176.312 176.300 -0.003 0.000 0.965 293 R CA -1.012 55.041 56.100 -0.079 0.000 0.899 293 R CB 1.442 31.627 30.300 -0.191 0.000 1.173 293 R HN 0.133 nan 8.270 nan 0.000 0.456 294 I N 2.467 122.976 120.570 -0.103 0.000 2.460 294 I HA 0.338 4.508 4.170 0.000 0.000 0.298 294 I C -0.979 174.968 176.117 -0.284 0.000 0.989 294 I CA -0.803 60.520 61.300 0.039 0.000 1.173 294 I CB 1.100 39.161 38.000 0.101 0.000 1.338 294 I HN 0.398 nan 8.210 nan 0.000 0.456 295 Y N 6.099 126.464 120.300 0.107 0.000 2.350 295 Y HA 0.654 5.204 4.550 0.000 0.000 0.338 295 Y C -0.630 175.329 175.900 0.097 0.000 0.961 295 Y CA -0.883 57.268 58.100 0.086 0.000 1.100 295 Y CB 1.762 40.287 38.460 0.108 0.000 1.179 295 Y HN 0.336 nan 8.280 nan 0.000 0.454 296 L N 4.056 125.387 121.223 0.179 0.000 2.409 296 L HA 0.579 4.919 4.340 0.000 0.000 0.272 296 L C -1.478 175.497 176.870 0.176 0.000 0.980 296 L CA -0.559 54.380 54.840 0.165 0.000 0.826 296 L CB 1.494 43.624 42.059 0.118 0.000 1.268 296 L HN 0.656 nan 8.230 nan 0.000 0.407 297 L N 5.879 127.214 121.223 0.186 0.000 2.418 297 L HA 0.510 4.850 4.340 0.000 0.000 0.274 297 L C -0.418 176.580 176.870 0.214 0.000 1.135 297 L CA -0.169 54.790 54.840 0.199 0.000 0.870 297 L CB 0.877 43.040 42.059 0.173 0.000 1.154 297 L HN 0.606 nan 8.230 nan 0.000 0.462 298 V N 0.094 120.178 119.914 0.284 0.000 3.114 298 V HA 0.769 4.889 4.120 0.000 0.000 0.308 298 V C -1.093 175.257 176.094 0.427 0.000 1.168 298 V CA -0.744 61.756 62.300 0.334 0.000 1.015 298 V CB 2.380 34.413 31.823 0.349 0.000 1.050 298 V HN 0.672 nan 8.190 nan 0.000 0.433 299 D N 0.348 120.896 120.400 0.247 0.000 2.671 299 D HA 0.272 4.912 4.640 0.000 0.000 0.273 299 D C -1.247 174.641 176.300 -0.687 0.000 1.264 299 D CA -0.487 53.432 54.000 -0.136 0.000 0.788 299 D CB 2.540 43.360 40.800 0.034 0.000 1.324 299 D HN 0.796 nan 8.370 nan 0.000 0.424 300 Q N 0.981 120.050 119.800 -1.218 0.000 2.297 300 Q HA 0.402 4.742 4.340 0.000 0.000 0.267 300 Q C -0.257 175.514 176.000 -0.381 0.000 1.006 300 Q CA 0.286 55.553 55.803 -0.894 0.000 0.896 300 Q CB 1.009 29.237 28.738 -0.849 0.000 1.186 300 Q HN 0.299 nan 8.270 nan 0.000 0.392 301 R N 0.626 120.982 120.500 -0.240 0.000 2.664 301 R HA 0.291 4.631 4.340 0.000 0.000 0.266 301 R C -1.406 174.845 176.300 -0.082 0.000 1.046 301 R CA -0.982 55.046 56.100 -0.120 0.000 0.885 301 R CB 0.843 31.098 30.300 -0.074 0.000 1.254 301 R HN 0.475 nan 8.270 nan 0.000 0.465 302 D N 1.303 121.676 120.400 -0.045 0.000 2.368 302 D HA -0.064 4.577 4.640 0.000 0.000 0.240 302 D C 0.503 176.765 176.300 -0.063 0.000 1.169 302 D CA 0.226 54.208 54.000 -0.031 0.000 0.906 302 D CB 1.058 41.872 40.800 0.025 0.000 1.187 302 D HN 0.765 nan 8.370 nan 0.000 0.435 303 E N 1.524 121.623 120.200 -0.168 0.000 2.338 303 E HA -0.160 4.190 4.350 0.000 0.000 0.197 303 E C 0.771 177.105 176.600 -0.444 0.000 1.007 303 E CA 0.791 56.960 56.400 -0.384 0.000 0.849 303 E CB -0.224 29.101 29.700 -0.624 0.000 0.774 303 E HN 0.581 nan 8.360 nan 0.000 0.506 304 W N 0.533 121.892 121.300 0.099 0.000 2.966 304 W HA 0.292 4.952 4.660 0.000 0.000 0.406 304 W C 0.501 177.127 176.519 0.178 0.000 1.027 304 W CA -1.014 56.437 57.345 0.177 0.000 1.930 304 W CB 0.918 30.450 29.460 0.120 0.000 1.144 304 W HN -0.188 nan 8.180 nan 0.000 0.626 305 R N 0.905 121.543 120.500 0.231 0.000 2.831 305 R HA 0.083 4.423 4.340 0.000 0.000 0.337 305 R C 1.311 177.630 176.300 0.031 0.000 1.200 305 R CA 0.031 56.188 56.100 0.095 0.000 1.088 305 R CB -1.154 29.178 30.300 0.054 0.000 1.397 305 R HN 0.466 nan 8.270 nan 0.000 0.581 306 H N -0.633 118.398 119.070 -0.065 0.000 2.546 306 H HA 0.131 4.687 4.556 0.000 0.000 0.277 306 H C 0.194 175.515 175.328 -0.011 0.000 1.004 306 H CA 0.403 56.363 56.048 -0.146 0.000 1.231 306 H CB 0.332 29.792 29.762 -0.504 0.000 1.382 306 H HN 0.070 nan 8.280 nan 0.000 0.580 307 K N 1.593 121.848 120.400 -0.241 0.000 2.373 307 K HA 0.095 4.415 4.320 0.000 0.000 0.202 307 K C 0.364 176.988 176.600 0.040 0.000 1.025 307 K CA 0.215 56.488 56.287 -0.023 0.000 1.115 307 K CB 0.882 33.387 32.500 0.009 0.000 0.858 307 K HN 0.318 nan 8.250 nan 0.000 0.525 308 T N -1.040 113.522 114.554 0.014 0.000 2.882 308 T HA 0.503 4.853 4.350 0.000 0.000 0.287 308 T C 0.586 175.320 174.700 0.057 0.000 1.014 308 T CA -0.944 61.173 62.100 0.029 0.000 1.049 308 T CB 1.530 70.407 68.868 0.016 0.000 1.001 308 T HN 0.116 nan 8.240 nan 0.000 0.525 309 A N 1.872 124.726 122.820 0.055 0.000 2.466 309 A HA 0.509 4.830 4.320 0.000 0.000 0.238 309 A C 0.582 178.209 177.584 0.072 0.000 1.074 309 A CA -0.449 51.630 52.037 0.070 0.000 0.774 309 A CB -0.277 18.760 19.000 0.062 0.000 1.015 309 A HN 0.847 nan 8.150 nan 0.000 0.498 310 S N -0.528 115.228 115.700 0.093 0.000 2.566 310 S HA 0.508 4.978 4.470 0.000 0.000 0.298 310 S C 0.694 175.345 174.600 0.085 0.000 1.083 310 S CA -0.697 57.576 58.200 0.121 0.000 0.978 310 S CB 1.720 65.022 63.200 0.169 0.000 1.073 310 S HN 0.646 nan 8.310 nan 0.000 0.491 311 R N 0.157 120.708 120.500 0.086 0.000 2.362 311 R HA 0.316 4.656 4.340 0.000 0.000 0.227 311 R C -0.904 175.083 176.300 -0.521 0.000 0.905 311 R CA 0.458 56.416 56.100 -0.235 0.000 1.067 311 R CB 0.270 30.345 30.300 -0.374 0.000 1.078 311 R HN 0.441 nan 8.270 nan 0.000 0.516 312 F N -0.961 119.084 119.950 0.158 0.000 2.599 312 F HA 0.459 4.986 4.527 0.000 0.000 0.311 312 F C -0.434 175.469 175.800 0.171 0.000 1.076 312 F CA -1.250 56.870 58.000 0.200 0.000 0.937 312 F CB 1.913 41.110 39.000 0.328 0.000 1.282 312 F HN -0.441 nan 8.300 nan 0.000 0.460 313 V N 2.797 122.906 119.914 0.326 0.000 2.531 313 V HA 0.586 4.706 4.120 0.000 0.000 0.301 313 V C -0.776 175.365 176.094 0.078 0.000 1.034 313 V CA -0.932 61.504 62.300 0.227 0.000 0.865 313 V CB 2.029 34.018 31.823 0.276 0.000 0.995 313 V HN 0.631 nan 8.190 nan 0.000 0.424 314 V N 3.544 123.473 119.914 0.026 0.000 2.617 314 V HA 0.856 4.977 4.120 0.000 0.000 0.298 314 V C -0.395 175.587 176.094 -0.187 0.000 1.048 314 V CA -0.575 61.647 62.300 -0.132 0.000 0.964 314 V CB 1.641 33.392 31.823 -0.119 0.000 1.004 314 V HN 0.505 nan 8.190 nan 0.000 0.466 315 V N 5.488 125.205 119.914 -0.327 0.000 2.604 315 V HA 0.727 4.847 4.120 0.000 0.000 0.305 315 V C -0.235 175.666 176.094 -0.322 0.000 1.043 315 V CA -0.448 61.596 62.300 -0.427 0.000 0.888 315 V CB 1.269 32.799 31.823 -0.489 0.000 0.995 315 V HN 1.078 nan 8.190 nan 0.000 0.429 316 L N 0.250 121.294 121.223 -0.299 0.000 2.424 316 L HA 0.765 5.105 4.340 0.000 0.000 0.258 316 L C -0.719 176.060 176.870 -0.152 0.000 0.995 316 L CA -0.726 54.003 54.840 -0.185 0.000 0.821 316 L CB 2.149 44.132 42.059 -0.127 0.000 1.383 316 L HN 0.492 nan 8.230 nan 0.000 0.410 317 D N 1.465 121.805 120.400 -0.100 0.000 2.371 317 D HA 0.284 4.924 4.640 0.000 0.000 0.256 317 D C 0.912 177.203 176.300 -0.015 0.000 1.193 317 D CA 0.565 54.531 54.000 -0.055 0.000 0.881 317 D CB 2.240 43.012 40.800 -0.046 0.000 1.143 317 D HN 0.798 nan 8.370 nan 0.000 0.473 318 A N 4.982 127.825 122.820 0.038 0.000 1.969 318 A HA -0.192 4.128 4.320 0.000 0.000 0.218 318 A C 1.912 179.521 177.584 0.041 0.000 1.169 318 A CA 1.266 53.350 52.037 0.078 0.000 0.635 318 A CB -0.155 18.976 19.000 0.218 0.000 0.810 318 A HN 0.704 nan 8.150 nan 0.000 0.445 319 K N -0.474 119.945 120.400 0.032 0.000 2.116 319 K HA -0.048 4.272 4.320 0.000 0.000 0.203 319 K C 1.750 178.350 176.600 0.001 0.000 1.052 319 K CA 1.644 57.940 56.287 0.015 0.000 0.952 319 K CB -0.306 32.203 32.500 0.015 0.000 0.729 319 K HN 0.590 nan 8.250 nan 0.000 0.446 320 T N -3.762 110.787 114.554 -0.008 0.000 2.971 320 T HA 0.272 4.622 4.350 0.000 0.000 0.252 320 T C 1.568 176.253 174.700 -0.026 0.000 1.022 320 T CA 0.300 62.390 62.100 -0.017 0.000 0.980 320 T CB 0.645 69.500 68.868 -0.022 0.000 1.044 320 T HN 0.334 nan 8.240 nan 0.000 0.501 321 G N 1.705 110.487 108.800 -0.029 0.000 2.184 321 G HA2 -0.293 3.667 3.960 0.000 0.000 0.264 321 G HA3 -0.293 3.667 3.960 0.000 0.000 0.264 321 G C -0.124 174.742 174.900 -0.057 0.000 0.975 321 G CA 0.345 45.421 45.100 -0.041 0.000 0.642 321 G HN 0.917 nan 8.290 nan 0.000 0.536 322 E N 0.637 120.803 120.200 -0.056 0.000 2.376 322 E HA 0.301 4.651 4.350 0.000 0.000 0.266 322 E C 0.826 177.373 176.600 -0.089 0.000 1.009 322 E CA -0.681 55.679 56.400 -0.067 0.000 0.902 322 E CB 0.299 29.965 29.700 -0.057 0.000 0.972 322 E HN 0.410 nan 8.360 nan 0.000 0.439 323 R N 4.606 125.044 120.500 -0.103 0.000 2.484 323 R HA 0.012 4.352 4.340 0.000 0.000 0.293 323 R C 0.647 176.868 176.300 -0.131 0.000 1.023 323 R CA 0.100 56.121 56.100 -0.132 0.000 1.037 323 R CB 0.342 30.556 30.300 -0.143 0.000 0.951 323 R HN 0.692 nan 8.270 nan 0.000 0.418 324 L N 3.267 124.394 121.223 -0.161 0.000 2.470 324 L HA 0.388 4.728 4.340 0.000 0.000 0.219 324 L C 0.519 177.288 176.870 -0.169 0.000 1.071 324 L CA 0.187 54.941 54.840 -0.143 0.000 0.850 324 L CB 0.259 42.235 42.059 -0.140 0.000 1.040 324 L HN 0.743 nan 8.230 nan 0.000 0.475 325 A N 0.270 122.930 122.820 -0.265 0.000 2.583 325 A HA 0.599 4.919 4.320 0.000 0.000 0.292 325 A C -1.462 175.819 177.584 -0.505 0.000 1.045 325 A CA -0.568 51.236 52.037 -0.389 0.000 0.672 325 A CB 1.510 20.175 19.000 -0.557 0.000 1.283 325 A HN -0.032 nan 8.150 nan 0.000 0.419 326 K N 1.122 121.230 120.400 -0.488 0.000 2.615 326 K HA 0.617 4.937 4.320 0.000 0.000 0.249 326 K C -2.024 174.492 176.600 -0.140 0.000 0.977 326 K CA -0.379 55.717 56.287 -0.318 0.000 0.833 326 K CB 0.737 33.132 32.500 -0.175 0.000 1.208 326 K HN 0.456 nan 8.250 nan 0.000 0.443 327 F N 1.974 122.008 119.950 0.139 0.000 2.421 327 F HA 0.335 4.862 4.527 0.000 0.000 0.337 327 F C 0.514 176.400 175.800 0.142 0.000 1.105 327 F CA -1.013 57.057 58.000 0.116 0.000 1.049 327 F CB 1.565 40.601 39.000 0.060 0.000 1.139 327 F HN 0.472 nan 8.300 nan 0.000 0.479 328 E N 3.261 123.620 120.200 0.264 0.000 2.130 328 E HA 0.171 4.521 4.350 0.000 0.000 0.284 328 E C 0.433 176.964 176.600 -0.116 0.000 1.018 328 E CA -0.401 55.925 56.400 -0.123 0.000 0.817 328 E CB 0.727 30.402 29.700 -0.041 0.000 1.078 328 E HN 0.538 nan 8.360 nan 0.000 0.396 329 M N 2.571 122.035 119.600 -0.227 0.000 2.447 329 M HA 0.111 4.591 4.480 0.000 0.000 0.264 329 M C 1.435 177.665 176.300 -0.116 0.000 1.095 329 M CA 1.135 56.375 55.300 -0.099 0.000 1.125 329 M CB -0.439 32.086 32.600 -0.124 0.000 1.389 329 M HN 0.875 nan 8.290 nan 0.000 0.459 330 G N 0.385 109.017 108.800 -0.280 0.000 2.176 330 G HA2 -0.241 3.719 3.960 0.000 0.000 0.253 330 G HA3 -0.241 3.719 3.960 0.000 0.000 0.253 330 G C 0.015 174.439 174.900 -0.795 0.000 0.979 330 G CA 0.579 45.416 45.100 -0.438 0.000 0.641 330 G HN 0.551 nan 8.290 nan 0.000 0.530 331 H N -0.951 117.947 119.070 -0.286 0.000 2.990 331 H HA 0.540 5.096 4.556 0.000 0.000 0.343 331 H C -0.928 174.301 175.328 -0.165 0.000 1.270 331 H CA -0.954 54.918 56.048 -0.294 0.000 1.118 331 H CB 0.862 30.263 29.762 -0.603 0.000 1.861 331 H HN 0.036 nan 8.280 nan 0.000 0.544 332 E N 1.931 122.173 120.200 0.070 0.000 2.104 332 E HA 0.110 4.460 4.350 0.000 0.000 0.278 332 E C -0.264 176.395 176.600 0.097 0.000 1.127 332 E CA -0.008 56.427 56.400 0.059 0.000 0.897 332 E CB 0.344 30.081 29.700 0.062 0.000 1.043 332 E HN 0.245 nan 8.360 nan 0.000 0.410 333 I N 2.553 123.174 120.570 0.085 0.000 2.359 333 I HA 0.120 4.290 4.170 0.000 0.000 0.294 333 I C 0.793 176.978 176.117 0.112 0.000 0.987 333 I CA -0.473 60.897 61.300 0.116 0.000 1.225 333 I CB 1.367 39.429 38.000 0.103 0.000 1.366 333 I HN 0.324 nan 8.210 nan 0.000 0.466 334 D N 2.396 122.865 120.400 0.115 0.000 2.338 334 D HA 0.065 4.705 4.640 0.000 0.000 0.208 334 D C -0.031 176.367 176.300 0.163 0.000 0.997 334 D CA 0.721 54.798 54.000 0.128 0.000 0.880 334 D CB 0.524 41.381 40.800 0.095 0.000 0.980 334 D HN 0.379 nan 8.370 nan 0.000 0.509 335 S N -0.210 115.580 115.700 0.149 0.000 2.540 335 S HA 0.620 5.090 4.470 0.000 0.000 0.275 335 S C -0.876 173.812 174.600 0.147 0.000 1.123 335 S CA -0.892 57.401 58.200 0.156 0.000 0.907 335 S CB 1.839 65.141 63.200 0.170 0.000 1.081 335 S HN 0.204 nan 8.310 nan 0.000 0.476 336 I N 0.186 120.846 120.570 0.150 0.000 2.934 336 I HA 0.792 4.962 4.170 0.000 0.000 0.306 336 I C -0.847 175.367 176.117 0.162 0.000 1.110 336 I CA -0.642 60.750 61.300 0.153 0.000 1.019 336 I CB 2.328 40.413 38.000 0.141 0.000 1.227 336 I HN 0.480 nan 8.210 nan 0.000 0.434 337 N N 1.412 120.220 118.700 0.180 0.000 3.106 337 N HA 0.733 5.473 4.740 0.000 0.000 0.253 337 N C -1.688 173.909 175.510 0.144 0.000 1.506 337 N CA -0.243 52.915 53.050 0.181 0.000 0.876 337 N CB 2.712 41.332 38.487 0.221 0.000 1.452 337 N HN 0.773 nan 8.380 nan 0.000 0.542 338 V N -1.440 118.537 119.914 0.104 0.000 3.078 338 V HA 0.799 4.919 4.120 0.000 0.000 0.311 338 V C 0.134 176.315 176.094 0.144 0.000 1.138 338 V CA -0.819 61.465 62.300 -0.028 0.000 1.007 338 V CB 1.144 32.809 31.823 -0.264 0.000 1.045 338 V HN 0.757 nan 8.190 nan 0.000 0.432 339 S N 1.798 117.559 115.700 0.102 0.000 2.617 339 S HA 0.405 4.875 4.470 0.000 0.000 0.269 339 S C 0.217 174.881 174.600 0.106 0.000 1.292 339 S CA -0.584 57.715 58.200 0.164 0.000 1.010 339 S CB 1.284 64.577 63.200 0.155 0.000 0.944 339 S HN 0.821 nan 8.310 nan 0.000 0.536 340 Q N 1.007 120.822 119.800 0.025 0.000 2.204 340 Q HA 0.161 4.501 4.340 0.000 0.000 0.209 340 Q C -0.442 175.512 176.000 -0.077 0.000 0.861 340 Q CA -0.069 55.633 55.803 -0.167 0.000 0.971 340 Q CB -0.176 28.458 28.738 -0.173 0.000 1.095 340 Q HN 0.846 nan 8.270 nan 0.000 0.486 341 D N -0.756 119.692 120.400 0.079 0.000 2.466 341 D HA 0.071 4.711 4.640 0.000 0.000 0.262 341 D C 0.792 177.192 176.300 0.167 0.000 1.177 341 D CA -0.591 53.462 54.000 0.087 0.000 1.035 341 D CB 0.789 41.625 40.800 0.060 0.000 1.105 341 D HN -0.184 nan 8.370 nan 0.000 0.551 342 E N -0.695 119.566 120.200 0.102 0.000 2.110 342 E HA -0.127 4.223 4.350 0.000 0.000 0.193 342 E C 0.163 176.795 176.600 0.054 0.000 0.988 342 E CA 1.038 57.495 56.400 0.094 0.000 0.804 342 E CB 0.054 29.784 29.700 0.050 0.000 0.745 342 E HN 0.288 nan 8.360 nan 0.000 0.458 343 K N 1.386 121.805 120.400 0.031 0.000 2.606 343 K HA 0.204 4.524 4.320 0.000 0.000 0.196 343 K C -2.533 174.053 176.600 -0.024 0.000 1.048 343 K CA -1.629 54.651 56.287 -0.013 0.000 1.017 343 K CB 1.458 33.951 32.500 -0.012 0.000 1.413 343 K HN 0.006 nan 8.250 nan 0.000 0.568 344 P HA -0.060 nan 4.420 nan 0.000 0.269 344 P C -0.326 176.900 177.300 -0.123 0.000 1.217 344 P CA 0.001 63.079 63.100 -0.037 0.000 0.783 344 P CB 0.887 32.550 31.700 -0.061 0.000 0.898 345 L N 1.260 122.360 121.223 -0.206 0.000 2.334 345 L HA 0.294 4.634 4.340 0.000 0.000 0.277 345 L C 0.563 177.130 176.870 -0.505 0.000 1.075 345 L CA -1.024 53.585 54.840 -0.384 0.000 0.804 345 L CB 0.805 42.520 42.059 -0.573 0.000 1.174 345 L HN 0.261 nan 8.230 nan 0.000 0.438 346 L N 3.863 124.859 121.223 -0.378 0.000 2.257 346 L HA 0.380 4.720 4.340 0.000 0.000 0.290 346 L C -0.905 175.815 176.870 -0.249 0.000 1.044 346 L CA 0.048 54.712 54.840 -0.294 0.000 0.810 346 L CB 0.402 42.381 42.059 -0.132 0.000 1.193 346 L HN 0.199 nan 8.230 nan 0.000 0.425 347 Y N 4.004 124.314 120.300 0.016 0.000 2.308 347 Y HA 0.681 5.231 4.550 0.000 0.000 0.329 347 Y C 0.425 176.360 175.900 0.057 0.000 1.111 347 Y CA -0.566 57.566 58.100 0.053 0.000 1.179 347 Y CB 1.679 40.159 38.460 0.033 0.000 1.201 347 Y HN 0.704 nan 8.280 nan 0.000 0.483 348 A N 4.199 127.182 122.820 0.271 0.000 2.569 348 A HA 0.564 4.884 4.320 0.000 0.000 0.282 348 A C -1.903 175.827 177.584 0.242 0.000 1.165 348 A CA -0.538 51.621 52.037 0.204 0.000 0.747 348 A CB 0.416 19.494 19.000 0.130 0.000 1.215 348 A HN 0.611 nan 8.150 nan 0.000 0.431 349 L N 2.554 123.875 121.223 0.163 0.000 2.309 349 L HA 0.762 5.102 4.340 0.000 0.000 0.282 349 L C 0.314 177.251 176.870 0.112 0.000 1.036 349 L CA 0.126 55.022 54.840 0.093 0.000 0.806 349 L CB 1.838 43.924 42.059 0.045 0.000 1.220 349 L HN 0.565 nan 8.230 nan 0.000 0.429 350 S N 2.457 118.213 115.700 0.094 0.000 2.520 350 S HA 0.299 4.769 4.470 0.000 0.000 0.324 350 S C 0.918 175.523 174.600 0.008 0.000 1.069 350 S CA -0.229 58.035 58.200 0.106 0.000 1.121 350 S CB 0.722 64.064 63.200 0.237 0.000 0.971 350 S HN 0.827 nan 8.310 nan 0.000 0.463 351 T N 4.431 118.976 114.554 -0.014 0.000 2.737 351 T HA -0.070 4.280 4.350 0.000 0.000 0.269 351 T C 1.942 176.638 174.700 -0.006 0.000 1.040 351 T CA 1.867 63.929 62.100 -0.062 0.000 1.142 351 T CB -0.631 68.175 68.868 -0.104 0.000 0.861 351 T HN 0.788 nan 8.240 nan 0.000 0.456 352 G N 1.354 110.172 108.800 0.030 0.000 2.403 352 G HA2 -0.127 3.833 3.960 0.000 0.000 0.216 352 G HA3 -0.127 3.833 3.960 0.000 0.000 0.216 352 G C 1.101 176.023 174.900 0.038 0.000 1.154 352 G CA 0.560 45.687 45.100 0.045 0.000 0.784 352 G HN 0.426 nan 8.290 nan 0.000 0.538 353 D N 0.411 120.836 120.400 0.042 0.000 2.349 353 D HA 0.075 4.715 4.640 0.000 0.000 0.215 353 D C 0.660 176.922 176.300 -0.063 0.000 1.016 353 D CA 0.087 54.102 54.000 0.025 0.000 0.870 353 D CB 0.116 40.980 40.800 0.107 0.000 0.917 353 D HN 0.223 nan 8.370 nan 0.000 0.524 354 K N 0.089 120.436 120.400 -0.087 0.000 3.071 354 K HA -0.137 4.183 4.320 0.000 0.000 0.262 354 K C -0.659 175.777 176.600 -0.274 0.000 0.977 354 K CA 0.630 56.812 56.287 -0.174 0.000 0.721 354 K CB -1.842 30.558 32.500 -0.167 0.000 1.293 354 K HN 0.079 nan 8.250 nan 0.000 0.475 355 T N 0.437 114.804 114.554 -0.312 0.000 2.886 355 T HA 0.498 4.848 4.350 0.000 0.000 0.292 355 T C -1.034 173.321 174.700 -0.575 0.000 1.012 355 T CA -0.866 60.913 62.100 -0.535 0.000 0.982 355 T CB 1.648 70.031 68.868 -0.809 0.000 1.018 355 T HN 0.190 nan 8.240 nan 0.000 0.451 356 L N 3.950 124.864 121.223 -0.515 0.000 2.257 356 L HA 0.544 4.884 4.340 0.000 0.000 0.290 356 L C -1.499 175.129 176.870 -0.403 0.000 1.044 356 L CA -0.396 54.244 54.840 -0.332 0.000 0.810 356 L CB -0.031 41.914 42.059 -0.191 0.000 1.193 356 L HN 0.565 nan 8.230 nan 0.000 0.425 357 Y N 5.614 125.922 120.300 0.014 0.000 2.320 357 Y HA 0.520 5.070 4.550 0.000 0.000 0.334 357 Y C 0.040 176.054 175.900 0.190 0.000 1.055 357 Y CA -0.374 57.752 58.100 0.043 0.000 1.143 357 Y CB 1.086 39.605 38.460 0.099 0.000 1.193 357 Y HN 0.420 nan 8.280 nan 0.000 0.477 358 I N 4.604 125.296 120.570 0.203 0.000 2.382 358 I HA 0.293 4.463 4.170 0.000 0.000 0.286 358 I C -0.344 175.774 176.117 0.001 0.000 1.002 358 I CA -0.343 61.047 61.300 0.151 0.000 1.135 358 I CB 0.653 38.721 38.000 0.114 0.000 1.288 358 I HN 0.625 nan 8.210 nan 0.000 0.448 359 H N 3.147 122.162 119.070 -0.092 0.000 2.670 359 H HA 0.253 4.809 4.556 0.000 0.000 0.361 359 H C -1.142 174.073 175.328 -0.188 0.000 1.169 359 H CA -0.887 55.084 56.048 -0.128 0.000 1.198 359 H CB 2.600 32.278 29.762 -0.140 0.000 1.700 359 H HN 0.459 nan 8.280 nan 0.000 0.542 360 D N 0.496 120.858 120.400 -0.064 0.000 2.325 360 D HA 0.183 4.823 4.640 0.000 0.000 0.251 360 D C 0.767 176.993 176.300 -0.124 0.000 1.196 360 D CA -0.168 53.771 54.000 -0.102 0.000 0.866 360 D CB 1.074 41.812 40.800 -0.104 0.000 1.101 360 D HN 0.598 nan 8.370 nan 0.000 0.476 361 A N 3.734 126.504 122.820 -0.083 0.000 2.121 361 A HA -0.111 4.209 4.320 0.000 0.000 0.218 361 A C 1.860 179.537 177.584 0.156 0.000 1.154 361 A CA 1.129 53.180 52.037 0.024 0.000 0.679 361 A CB -0.330 18.665 19.000 -0.009 0.000 0.795 361 A HN 0.640 nan 8.150 nan 0.000 0.458 362 E N 0.253 120.487 120.200 0.057 0.000 2.102 362 E HA -0.078 4.272 4.350 0.000 0.000 0.190 362 E C 2.139 178.816 176.600 0.129 0.000 0.971 362 E CA 1.555 58.024 56.400 0.115 0.000 0.821 362 E CB -0.131 29.593 29.700 0.039 0.000 0.777 362 E HN 0.583 nan 8.360 nan 0.000 0.460 363 S N -1.635 114.039 115.700 -0.044 0.000 2.503 363 S HA 0.246 4.716 4.470 0.000 0.000 0.215 363 S C 1.711 176.065 174.600 -0.410 0.000 1.003 363 S CA 0.517 58.669 58.200 -0.080 0.000 0.910 363 S CB 0.342 63.500 63.200 -0.070 0.000 0.790 363 S HN 0.486 nan 8.310 nan 0.000 0.514 364 G N 1.476 109.728 108.800 -0.914 0.000 2.168 364 G HA2 -0.327 3.633 3.960 0.000 0.000 0.263 364 G HA3 -0.327 3.633 3.960 0.000 0.000 0.263 364 G C -0.157 174.500 174.900 -0.405 0.000 0.977 364 G CA 0.470 44.730 45.100 -1.399 0.000 0.659 364 G HN 0.850 nan 8.290 nan 0.000 0.533 365 E N 0.730 120.788 120.200 -0.237 0.000 2.313 365 E HA 0.392 4.742 4.350 0.000 0.000 0.276 365 E C 0.241 176.705 176.600 -0.225 0.000 1.031 365 E CA -0.552 55.763 56.400 -0.142 0.000 0.857 365 E CB 0.407 30.036 29.700 -0.118 0.000 1.040 365 E HN 0.378 nan 8.360 nan 0.000 0.408 366 E N 4.181 124.149 120.200 -0.388 0.000 2.366 366 E HA -0.005 4.345 4.350 0.000 0.000 0.266 366 E C 0.411 176.837 176.600 -0.289 0.000 1.015 366 E CA -0.038 55.974 56.400 -0.646 0.000 0.906 366 E CB 0.634 30.061 29.700 -0.455 0.000 0.979 366 E HN 0.650 nan 8.360 nan 0.000 0.443 367 L N 4.772 125.852 121.223 -0.238 0.000 2.316 367 L HA 0.211 4.551 4.340 0.000 0.000 0.207 367 L C 0.997 177.818 176.870 -0.081 0.000 1.070 367 L CA 0.271 55.036 54.840 -0.124 0.000 0.820 367 L CB 0.010 42.011 42.059 -0.097 0.000 0.992 367 L HN 0.590 nan 8.230 nan 0.000 0.466 368 R N -0.770 119.686 120.500 -0.072 0.000 3.012 368 R HA 0.414 4.754 4.340 0.000 0.000 0.287 368 R C -1.577 174.708 176.300 -0.026 0.000 0.990 368 R CA -0.435 55.642 56.100 -0.038 0.000 0.839 368 R CB 0.978 31.256 30.300 -0.036 0.000 1.317 368 R HN -0.078 nan 8.270 nan 0.000 0.518 369 S N -0.119 115.546 115.700 -0.057 0.000 2.579 369 S HA 0.699 5.169 4.470 0.000 0.000 0.272 369 S C -1.158 173.336 174.600 -0.178 0.000 1.141 369 S CA -0.727 57.383 58.200 -0.151 0.000 0.843 369 S CB 2.288 65.371 63.200 -0.196 0.000 1.122 369 S HN 0.507 nan 8.310 nan 0.000 0.468 370 V N 3.424 123.183 119.914 -0.257 0.000 2.443 370 V HA 0.518 4.638 4.120 0.000 0.000 0.293 370 V C -0.402 175.500 176.094 -0.320 0.000 1.021 370 V CA -0.756 61.403 62.300 -0.234 0.000 0.848 370 V CB 0.921 32.623 31.823 -0.201 0.000 0.998 370 V HN 1.033 nan 8.190 nan 0.000 0.424 371 N N 2.961 121.498 118.700 -0.272 0.000 2.538 371 N HA 0.352 5.092 4.740 0.000 0.000 0.292 371 N C 0.071 175.410 175.510 -0.284 0.000 1.262 371 N CA -0.867 52.012 53.050 -0.285 0.000 0.976 371 N CB 0.334 38.698 38.487 -0.205 0.000 1.161 371 N HN 0.580 nan 8.380 nan 0.000 0.598 372 Q N -1.446 118.199 119.800 -0.258 0.000 2.487 372 Q HA -0.130 4.210 4.340 0.000 0.000 0.279 372 Q C -0.898 174.856 176.000 -0.410 0.000 1.228 372 Q CA 0.316 55.974 55.803 -0.242 0.000 0.873 372 Q CB -1.875 26.772 28.738 -0.152 0.000 1.260 372 Q HN 0.517 nan 8.270 nan 0.000 0.471 373 L N 0.595 121.479 121.223 -0.565 0.000 2.536 373 L HA 0.352 4.692 4.340 0.000 0.000 0.242 373 L C 1.347 177.818 176.870 -0.665 0.000 1.280 373 L CA 0.447 54.642 54.840 -1.074 0.000 1.221 373 L CB -0.418 41.067 42.059 -0.958 0.000 1.449 373 L HN 0.535 nan 8.230 nan 0.000 0.405 374 G N 0.420 109.026 108.800 -0.324 0.000 2.539 374 G HA2 -0.293 3.667 3.960 0.000 0.000 0.256 374 G HA3 -0.293 3.667 3.960 0.000 0.000 0.256 374 G C 0.441 175.118 174.900 -0.372 0.000 1.233 374 G CA 0.001 44.975 45.100 -0.211 0.000 0.936 374 G HN 0.524 nan 8.290 nan 0.000 0.571 375 H N 0.573 119.639 119.070 -0.007 0.000 2.681 375 H HA 0.367 4.923 4.556 0.000 0.000 0.268 375 H C 1.649 176.938 175.328 -0.065 0.000 0.967 375 H CA 1.191 57.240 56.048 0.002 0.000 1.233 375 H CB 1.084 30.881 29.762 0.059 0.000 1.445 375 H HN 1.219 nan 8.280 nan 0.000 0.494 376 G N 2.925 111.599 108.800 -0.210 0.000 3.846 376 G HA2 0.178 4.138 3.960 0.000 0.000 0.281 376 G HA3 0.178 4.138 3.960 0.000 0.000 0.281 376 G C -3.079 171.585 174.900 -0.394 0.000 1.384 376 G CA -0.826 43.963 45.100 -0.520 0.000 0.641 376 G HN -0.124 nan 8.290 nan 0.000 0.458 377 P HA 0.083 nan 4.420 nan 0.000 0.265 377 P C -0.138 177.054 177.300 -0.180 0.000 1.193 377 P CA 0.450 63.446 63.100 -0.173 0.000 0.765 377 P CB 2.018 33.614 31.700 -0.173 0.000 0.823 378 Q N 0.754 120.477 119.800 -0.129 0.000 2.104 378 Q HA 0.177 4.517 4.340 0.000 0.000 0.240 378 Q C -0.405 175.667 176.000 0.119 0.000 0.743 378 Q CA 0.163 55.888 55.803 -0.130 0.000 0.920 378 Q CB 1.144 29.617 28.738 -0.442 0.000 1.198 378 Q HN 0.239 nan 8.270 nan 0.000 0.465 379 V N 2.136 122.119 119.914 0.115 0.000 2.531 379 V HA 0.451 4.571 4.120 0.000 0.000 0.301 379 V C -0.666 175.488 176.094 0.101 0.000 1.034 379 V CA -0.558 61.846 62.300 0.173 0.000 0.865 379 V CB 1.871 33.821 31.823 0.212 0.000 0.995 379 V HN 0.146 nan 8.190 nan 0.000 0.424 380 I N 4.006 124.633 120.570 0.094 0.000 2.354 380 I HA 0.567 4.737 4.170 0.000 0.000 0.292 380 I C -0.015 176.135 176.117 0.055 0.000 0.989 380 I CA -0.099 61.227 61.300 0.043 0.000 1.188 380 I CB 1.785 39.809 38.000 0.040 0.000 1.342 380 I HN 0.515 nan 8.210 nan 0.000 0.457 381 T N 3.149 117.735 114.554 0.053 0.000 2.876 381 T HA 0.576 4.926 4.350 0.000 0.000 0.289 381 T C -0.078 174.689 174.700 0.112 0.000 1.014 381 T CA -0.718 61.408 62.100 0.044 0.000 0.986 381 T CB 1.997 70.830 68.868 -0.057 0.000 1.021 381 T HN 0.737 nan 8.240 nan 0.000 0.458 382 T N -0.859 113.752 114.554 0.095 0.000 2.916 382 T HA 0.827 5.177 4.350 0.000 0.000 0.292 382 T C -0.473 174.279 174.700 0.087 0.000 1.055 382 T CA -1.022 61.156 62.100 0.130 0.000 1.009 382 T CB 1.700 70.655 68.868 0.144 0.000 1.118 382 T HN 0.765 nan 8.240 nan 0.000 0.497 383 A N 1.459 124.335 122.820 0.094 0.000 2.301 383 A HA 0.557 4.877 4.320 0.000 0.000 0.312 383 A C -0.059 177.546 177.584 0.035 0.000 1.182 383 A CA -0.637 51.423 52.037 0.038 0.000 0.826 383 A CB 0.458 19.473 19.000 0.026 0.000 1.134 383 A HN 0.873 nan 8.150 nan 0.000 0.501 384 D N 3.086 123.496 120.400 0.016 0.000 2.468 384 D HA 0.309 4.949 4.640 0.000 0.000 0.218 384 D C 0.576 176.873 176.300 -0.005 0.000 1.155 384 D CA 0.024 54.021 54.000 -0.005 0.000 0.924 384 D CB 0.295 41.084 40.800 -0.018 0.000 1.029 384 D HN 0.488 nan 8.370 nan 0.000 0.515 385 M N 1.462 121.063 119.600 0.001 0.000 2.509 385 M HA 0.202 4.682 4.480 0.000 0.000 0.250 385 M C 1.375 177.678 176.300 0.004 0.000 1.132 385 M CA -0.174 55.131 55.300 0.007 0.000 1.080 385 M CB 0.652 33.263 32.600 0.018 0.000 1.408 385 M HN 0.263 nan 8.290 nan 0.000 0.484 386 G N 0.000 108.796 108.800 -0.007 0.000 5.446 386 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 386 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 386 G CA 0.000 45.096 45.100 -0.008 0.000 0.502 386 G HN 0.000 nan 8.290 nan 0.000 0.925