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 2wb4_1_B DATA FIRST_RESID 2 DATA SEQUENCE SARILVVDDI EANVRLLEAK LTAEYYEVST AMDGPTALAM AARDLPDIIL DATA SEQUENCE LDVMMPGMDG FTVCRKLKDD PTTRHIPVVL ITALDGRGDR IQGLESGASD DATA SEQUENCE FLTKPIDDVM LFARVRSLTR FKLVIDELRQ REASGXXXXX XXXXXXXLDG DATA SEQUENCE LGGRVLIVDD NERQAQRVAA ELGVEHRPVI ESDPEKAKIS AGGPVDLVIV DATA SEQUENCE NAAAKNFDGL RFTAALRSEE RTRQLPVLAM VDPDDRGRMV KALEIGVNDI DATA SEQUENCE LSRPIDPQEL SARVKTQIQR KRYTDYLRNN LDHSLELAVT DQLTGLHNRR DATA SEQUENCE YMTGQLDSLV KRATLGGDPV SALLIDIDFF KKINDTFGHD IGDEVLREFA DATA SEQUENCE LRLASNVRAI DLPCRYGGEE FVVIMPDTAL ADALRIAERI RMHVSGSPFT DATA SEQUENCE VAHGREMLNV TISIGVSATA GEGDTPEALL KRADEGVYQA KASGRNAVVG DATA SEQUENCE KAA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.699 174.600 0.164 0.000 1.055 2 S CA 0.000 58.202 58.200 0.004 0.000 1.107 2 S CB 0.000 63.140 63.200 -0.100 0.000 0.593 3 A N 1.327 124.334 122.820 0.310 0.000 2.604 3 A HA 0.805 5.130 4.320 0.007 0.000 0.295 3 A C -1.495 176.235 177.584 0.244 0.000 1.067 3 A CA -0.734 51.476 52.037 0.289 0.000 0.683 3 A CB 1.182 20.367 19.000 0.310 0.000 1.281 3 A HN 0.178 nan 8.150 nan 0.000 0.407 4 R N 0.697 121.279 120.500 0.136 0.000 2.255 4 R HA 0.628 4.973 4.340 0.007 0.000 0.326 4 R C -1.098 175.234 176.300 0.053 0.000 0.986 4 R CA -0.078 56.080 56.100 0.097 0.000 0.847 4 R CB 1.016 31.359 30.300 0.072 0.000 1.111 4 R HN 0.620 nan 8.270 nan 0.000 0.452 5 I N 4.136 124.729 120.570 0.038 0.000 2.433 5 I HA 0.258 4.432 4.170 0.007 0.000 0.292 5 I C -0.899 175.214 176.117 -0.006 0.000 1.001 5 I CA -1.134 60.157 61.300 -0.015 0.000 1.119 5 I CB 1.886 39.844 38.000 -0.070 0.000 1.289 5 I HN 0.295 nan 8.210 nan 0.000 0.438 6 L N 8.222 129.433 121.223 -0.020 0.000 2.280 6 L HA 0.523 4.867 4.340 0.007 0.000 0.287 6 L C -0.763 176.089 176.870 -0.031 0.000 1.023 6 L CA -0.280 54.549 54.840 -0.018 0.000 0.819 6 L CB 1.379 43.428 42.059 -0.017 0.000 1.212 6 L HN 0.301 nan 8.230 nan 0.000 0.420 7 V N 6.025 125.923 119.914 -0.027 0.000 2.427 7 V HA 0.584 4.708 4.120 0.007 0.000 0.286 7 V C -0.402 175.670 176.094 -0.037 0.000 1.034 7 V CA -0.542 61.736 62.300 -0.037 0.000 0.893 7 V CB 1.776 33.580 31.823 -0.032 0.000 0.982 7 V HN 0.533 nan 8.190 nan 0.000 0.452 8 V N 4.191 124.076 119.914 -0.047 0.000 2.531 8 V HA 0.693 4.817 4.120 0.007 0.000 0.301 8 V C -0.730 175.329 176.094 -0.059 0.000 1.034 8 V CA -0.457 61.815 62.300 -0.048 0.000 0.865 8 V CB 1.868 33.662 31.823 -0.049 0.000 0.995 8 V HN 0.964 nan 8.190 nan 0.000 0.424 9 D N 2.406 122.774 120.400 -0.053 0.000 2.747 9 D HA 0.083 4.727 4.640 0.007 0.000 0.218 9 D C -0.301 175.970 176.300 -0.048 0.000 1.230 9 D CA -0.216 53.749 54.000 -0.059 0.000 0.774 9 D CB 2.570 43.334 40.800 -0.060 0.000 1.667 9 D HN 0.679 nan 8.370 nan 0.000 0.499 10 D N 2.038 122.408 120.400 -0.049 0.000 2.317 10 D HA -0.003 4.642 4.640 0.007 0.000 0.211 10 D C 0.918 177.198 176.300 -0.034 0.000 0.966 10 D CA 0.388 54.365 54.000 -0.039 0.000 0.876 10 D CB 0.622 41.398 40.800 -0.040 0.000 0.927 10 D HN 0.359 nan 8.370 nan 0.000 0.519 11 I N 1.287 121.835 120.570 -0.036 0.000 2.315 11 I HA 0.086 4.261 4.170 0.007 0.000 0.291 11 I C 1.550 177.650 176.117 -0.028 0.000 1.006 11 I CA -0.502 60.779 61.300 -0.031 0.000 1.265 11 I CB 2.001 39.982 38.000 -0.032 0.000 1.387 11 I HN -0.170 nan 8.210 nan 0.000 0.475 12 E N 4.796 124.982 120.200 -0.023 0.000 2.150 12 E HA -0.203 4.151 4.350 0.007 0.000 0.193 12 E C 2.099 178.687 176.600 -0.020 0.000 0.985 12 E CA 1.295 57.683 56.400 -0.020 0.000 0.814 12 E CB 0.230 29.921 29.700 -0.016 0.000 0.752 12 E HN 0.870 nan 8.360 nan 0.000 0.466 13 A N 1.467 124.276 122.820 -0.020 0.000 1.908 13 A HA -0.243 4.082 4.320 0.007 0.000 0.218 13 A C 1.935 179.505 177.584 -0.023 0.000 1.181 13 A CA 1.644 53.670 52.037 -0.019 0.000 0.627 13 A CB -0.581 18.408 19.000 -0.019 0.000 0.818 13 A HN 0.251 nan 8.150 nan 0.000 0.445 14 N N 0.004 118.686 118.700 -0.029 0.000 2.084 14 N HA -0.113 4.631 4.740 0.007 0.000 0.190 14 N C 1.801 177.290 175.510 -0.034 0.000 1.030 14 N CA 1.619 54.648 53.050 -0.036 0.000 0.849 14 N CB -0.507 37.952 38.487 -0.046 0.000 1.012 14 N HN 0.267 nan 8.380 nan 0.000 0.423 15 V N 1.737 121.632 119.914 -0.031 0.000 2.261 15 V HA -0.185 3.940 4.120 0.007 0.000 0.246 15 V C 2.525 178.608 176.094 -0.018 0.000 1.047 15 V CA 1.423 63.706 62.300 -0.027 0.000 1.015 15 V CB -0.396 31.412 31.823 -0.024 0.000 0.642 15 V HN 0.268 nan 8.190 nan 0.000 0.446 16 R N -0.798 119.693 120.500 -0.015 0.000 2.096 16 R HA -0.226 4.119 4.340 0.007 0.000 0.240 16 R C 2.257 178.553 176.300 -0.008 0.000 1.139 16 R CA 1.992 58.086 56.100 -0.010 0.000 0.952 16 R CB -0.650 29.644 30.300 -0.010 0.000 0.854 16 R HN 0.375 nan 8.270 nan 0.000 0.436 17 L N 0.961 122.177 121.223 -0.012 0.000 1.989 17 L HA -0.182 4.162 4.340 0.007 0.000 0.211 17 L C 2.148 179.016 176.870 -0.004 0.000 1.071 17 L CA 1.592 56.426 54.840 -0.009 0.000 0.749 17 L CB -0.831 41.218 42.059 -0.016 0.000 0.890 17 L HN 0.153 nan 8.230 nan 0.000 0.431 18 L N -0.064 121.150 121.223 -0.015 0.000 2.017 18 L HA -0.221 4.124 4.340 0.007 0.000 0.208 18 L C 2.550 179.428 176.870 0.013 0.000 1.073 18 L CA 2.231 57.062 54.840 -0.014 0.000 0.745 18 L CB -0.932 41.104 42.059 -0.038 0.000 0.894 18 L HN 0.601 nan 8.230 nan 0.000 0.432 19 E N -0.422 119.783 120.200 0.008 0.000 2.049 19 E HA -0.313 4.042 4.350 0.007 0.000 0.198 19 E C 2.066 178.684 176.600 0.030 0.000 1.007 19 E CA 1.582 57.994 56.400 0.020 0.000 0.809 19 E CB -0.295 29.410 29.700 0.008 0.000 0.749 19 E HN 0.598 nan 8.360 nan 0.000 0.450 20 A N 1.169 124.001 122.820 0.019 0.000 1.892 20 A HA -0.258 4.066 4.320 0.007 0.000 0.218 20 A C 2.113 179.722 177.584 0.041 0.000 1.188 20 A CA 2.105 54.151 52.037 0.016 0.000 0.631 20 A CB -0.532 18.473 19.000 0.009 0.000 0.822 20 A HN 0.243 nan 8.150 nan 0.000 0.447 21 K N -0.633 119.814 120.400 0.079 0.000 2.057 21 K HA -0.028 4.297 4.320 0.007 0.000 0.207 21 K C 1.913 178.660 176.600 0.244 0.000 1.049 21 K CA 1.358 57.745 56.287 0.167 0.000 0.931 21 K CB -0.337 32.276 32.500 0.188 0.000 0.714 21 K HN 0.477 nan 8.250 nan 0.000 0.440 22 L N 0.607 121.961 121.223 0.217 0.000 2.044 22 L HA -0.145 4.199 4.340 0.007 0.000 0.205 22 L C 2.658 179.656 176.870 0.213 0.000 1.075 22 L CA 1.550 56.568 54.840 0.297 0.000 0.747 22 L CB -0.835 41.343 42.059 0.198 0.000 0.903 22 L HN 0.362 nan 8.230 nan 0.000 0.435 23 T N -2.712 111.890 114.554 0.079 0.000 2.915 23 T HA -0.063 4.291 4.350 0.007 0.000 0.269 23 T C 1.841 176.424 174.700 -0.196 0.000 1.071 23 T CA 0.811 62.893 62.100 -0.030 0.000 1.132 23 T CB -0.267 68.579 68.868 -0.036 0.000 0.878 23 T HN 0.295 nan 8.240 nan 0.000 0.479 24 A N 1.531 124.262 122.820 -0.149 0.000 2.015 24 A HA 0.013 4.337 4.320 0.007 0.000 0.219 24 A C 2.184 179.545 177.584 -0.372 0.000 1.163 24 A CA 0.869 52.751 52.037 -0.258 0.000 0.646 24 A CB -0.254 18.680 19.000 -0.110 0.000 0.806 24 A HN 0.414 nan 8.150 nan 0.000 0.448 25 E N -1.613 118.446 120.200 -0.235 0.000 2.444 25 E HA 0.180 4.534 4.350 0.007 0.000 0.191 25 E C -0.935 175.548 176.600 -0.194 0.000 1.041 25 E CA -0.329 55.945 56.400 -0.210 0.000 0.883 25 E CB -0.112 29.382 29.700 -0.344 0.000 1.024 25 E HN 0.603 nan 8.360 nan 0.000 0.470 26 Y N -2.388 117.773 120.300 -0.232 0.000 4.716 26 Y HA -0.284 4.270 4.550 0.006 0.000 0.245 26 Y C -0.341 175.357 175.900 -0.337 0.000 1.061 26 Y CA 0.022 57.967 58.100 -0.259 0.000 2.094 26 Y CB -2.841 35.460 38.460 -0.266 0.000 1.598 26 Y HN 0.114 nan 8.280 nan 0.000 0.687 27 Y N 0.656 120.994 120.300 0.063 0.000 2.307 27 Y HA 0.353 4.906 4.550 0.006 0.000 0.324 27 Y C 0.909 176.832 175.900 0.039 0.000 1.238 27 Y CA -1.153 56.982 58.100 0.058 0.000 1.280 27 Y CB 0.599 39.095 38.460 0.060 0.000 1.248 27 Y HN 0.125 nan 8.280 nan 0.000 0.508 28 E N 2.112 122.435 120.200 0.205 0.000 2.052 28 E HA 0.397 4.751 4.350 0.007 0.000 0.283 28 E C -1.546 175.118 176.600 0.107 0.000 1.071 28 E CA -0.320 56.152 56.400 0.120 0.000 0.851 28 E CB 0.377 30.133 29.700 0.093 0.000 1.066 28 E HN 0.423 nan 8.360 nan 0.000 0.396 29 V N 4.154 124.117 119.914 0.082 0.000 2.472 29 V HA 0.370 4.495 4.120 0.007 0.000 0.290 29 V C -0.012 176.102 176.094 0.034 0.000 1.037 29 V CA -0.555 61.779 62.300 0.058 0.000 0.908 29 V CB 1.518 33.374 31.823 0.055 0.000 0.985 29 V HN 0.764 nan 8.190 nan 0.000 0.454 30 S N 2.322 118.036 115.700 0.023 0.000 2.599 30 S HA 0.926 5.400 4.470 0.007 0.000 0.294 30 S C -0.350 174.252 174.600 0.004 0.000 1.094 30 S CA -0.579 57.630 58.200 0.014 0.000 0.931 30 S CB 2.224 65.433 63.200 0.015 0.000 1.093 30 S HN 0.982 nan 8.310 nan 0.000 0.488 31 T N -2.420 112.134 114.554 -0.000 0.000 2.883 31 T HA 0.883 5.238 4.350 0.007 0.000 0.296 31 T C -0.900 173.794 174.700 -0.009 0.000 1.117 31 T CA -0.721 61.375 62.100 -0.008 0.000 1.006 31 T CB 1.449 70.312 68.868 -0.008 0.000 1.191 31 T HN 1.768 nan 8.240 nan 0.000 0.508 32 A N 1.337 124.148 122.820 -0.015 0.000 2.540 32 A HA 0.706 5.031 4.320 0.007 0.000 0.297 32 A C -0.114 177.457 177.584 -0.021 0.000 1.056 32 A CA -0.776 51.251 52.037 -0.016 0.000 0.700 32 A CB 1.694 20.684 19.000 -0.016 0.000 1.280 32 A HN 0.792 nan 8.150 nan 0.000 0.398 33 M N 1.220 120.809 119.600 -0.019 0.000 2.371 33 M HA 0.219 4.703 4.480 0.007 0.000 0.246 33 M C -0.129 176.156 176.300 -0.025 0.000 1.103 33 M CA 0.600 55.886 55.300 -0.023 0.000 1.010 33 M CB 0.131 32.721 32.600 -0.018 0.000 1.457 33 M HN 0.862 nan 8.290 nan 0.000 0.486 34 D N -3.396 116.990 120.400 -0.024 0.000 2.768 34 D HA 0.378 5.023 4.640 0.007 0.000 0.327 34 D C 0.799 177.085 176.300 -0.023 0.000 1.302 34 D CA -0.274 53.712 54.000 -0.025 0.000 0.897 34 D CB -0.194 40.595 40.800 -0.019 0.000 1.420 34 D HN -0.114 nan 8.370 nan 0.000 0.494 35 G N -0.638 108.149 108.800 -0.022 0.000 2.424 35 G HA2 0.017 3.981 3.960 0.007 0.000 0.214 35 G HA3 0.017 3.981 3.960 0.007 0.000 0.214 35 G C -1.022 173.872 174.900 -0.010 0.000 1.202 35 G CA 0.822 45.912 45.100 -0.018 0.000 0.793 35 G HN 0.462 nan 8.290 nan 0.000 0.534 36 P HA -0.083 nan 4.420 nan 0.000 0.215 36 P C 2.064 179.362 177.300 -0.003 0.000 1.157 36 P CA 1.985 65.083 63.100 -0.003 0.000 0.874 36 P CB -0.316 31.383 31.700 -0.002 0.000 0.790 37 T N -0.678 113.873 114.554 -0.005 0.000 2.720 37 T HA -0.159 4.195 4.350 0.007 0.000 0.268 37 T C 1.890 176.587 174.700 -0.005 0.000 1.037 37 T CA 1.700 63.798 62.100 -0.005 0.000 1.144 37 T CB -0.948 67.915 68.868 -0.007 0.000 0.864 37 T HN 0.079 nan 8.240 nan 0.000 0.444 38 A N 1.156 123.970 122.820 -0.009 0.000 1.898 38 A HA 0.072 4.397 4.320 0.007 0.000 0.216 38 A C 2.321 179.901 177.584 -0.007 0.000 1.181 38 A CA 1.009 53.039 52.037 -0.011 0.000 0.620 38 A CB -0.800 18.189 19.000 -0.018 0.000 0.819 38 A HN 0.453 nan 8.150 nan 0.000 0.442 39 L N -0.667 120.554 121.223 -0.004 0.000 2.012 39 L HA -0.249 4.096 4.340 0.007 0.000 0.210 39 L C 3.160 180.033 176.870 0.004 0.000 1.073 39 L CA 1.256 56.096 54.840 0.000 0.000 0.748 39 L CB -0.686 41.374 42.059 0.003 0.000 0.891 39 L HN 0.456 nan 8.230 nan 0.000 0.431 40 A N -0.076 122.746 122.820 0.004 0.000 1.865 40 A HA -0.275 4.049 4.320 0.007 0.000 0.217 40 A C 2.303 179.892 177.584 0.009 0.000 1.191 40 A CA 2.133 54.175 52.037 0.007 0.000 0.623 40 A CB -0.597 18.407 19.000 0.006 0.000 0.826 40 A HN 0.358 nan 8.150 nan 0.000 0.444 41 M N -0.671 118.933 119.600 0.006 0.000 2.108 41 M HA -0.191 4.294 4.480 0.007 0.000 0.261 41 M C 2.541 178.848 176.300 0.011 0.000 1.066 41 M CA 1.514 56.819 55.300 0.008 0.000 1.107 41 M CB -0.494 32.108 32.600 0.004 0.000 1.356 41 M HN 0.522 nan 8.290 nan 0.000 0.406 42 A N 0.439 123.263 122.820 0.007 0.000 1.877 42 A HA -0.057 4.267 4.320 0.007 0.000 0.216 42 A C 2.400 179.997 177.584 0.022 0.000 1.186 42 A CA 1.919 53.960 52.037 0.007 0.000 0.620 42 A CB -1.060 17.937 19.000 -0.004 0.000 0.822 42 A HN 0.489 nan 8.150 nan 0.000 0.443 43 A N -0.280 122.553 122.820 0.022 0.000 1.892 43 A HA -0.251 4.073 4.320 0.007 0.000 0.218 43 A C 2.294 179.899 177.584 0.035 0.000 1.188 43 A CA 2.129 54.184 52.037 0.031 0.000 0.631 43 A CB -0.511 18.503 19.000 0.024 0.000 0.822 43 A HN 0.588 nan 8.150 nan 0.000 0.447 44 R N -1.072 119.445 120.500 0.028 0.000 2.075 44 R HA -0.089 4.256 4.340 0.007 0.000 0.226 44 R C 0.755 177.075 176.300 0.033 0.000 1.114 44 R CA 1.642 57.759 56.100 0.028 0.000 0.972 44 R CB -0.074 30.239 30.300 0.021 0.000 0.869 44 R HN 0.453 nan 8.270 nan 0.000 0.437 45 D N 0.066 120.485 120.400 0.033 0.000 2.389 45 D HA 0.098 4.743 4.640 0.007 0.000 0.206 45 D C 0.241 176.570 176.300 0.048 0.000 1.055 45 D CA 0.076 54.098 54.000 0.036 0.000 0.856 45 D CB 0.428 41.245 40.800 0.029 0.000 0.957 45 D HN 0.164 nan 8.370 nan 0.000 0.509 46 L N 1.505 122.761 121.223 0.056 0.000 3.746 46 L HA -0.147 4.197 4.340 0.007 0.000 0.542 46 L C -2.133 174.774 176.870 0.061 0.000 1.268 46 L CA -0.410 54.479 54.840 0.082 0.000 0.818 46 L CB -1.438 40.698 42.059 0.127 0.000 1.472 46 L HN 0.031 nan 8.230 nan 0.000 0.843 47 P HA 0.020 nan 4.420 nan 0.000 0.270 47 P C 0.539 177.840 177.300 0.002 0.000 1.223 47 P CA -0.134 62.975 63.100 0.016 0.000 0.785 47 P CB 0.835 32.533 31.700 -0.004 0.000 0.923 48 D N 0.363 120.775 120.400 0.020 0.000 2.149 48 D HA 0.033 4.677 4.640 0.007 0.000 0.201 48 D C 0.809 177.097 176.300 -0.020 0.000 0.972 48 D CA 1.473 55.485 54.000 0.021 0.000 0.835 48 D CB 0.313 41.146 40.800 0.055 0.000 0.966 48 D HN 0.357 nan 8.370 nan 0.000 0.476 49 I N 0.359 120.911 120.570 -0.031 0.000 2.802 49 I HA 0.308 4.483 4.170 0.007 0.000 0.298 49 I C -0.892 175.193 176.117 -0.053 0.000 1.176 49 I CA -0.705 60.566 61.300 -0.049 0.000 1.025 49 I CB 3.105 41.068 38.000 -0.061 0.000 1.243 49 I HN -0.312 nan 8.210 nan 0.000 0.424 50 I N 5.819 126.356 120.570 -0.056 0.000 2.436 50 I HA 0.419 4.594 4.170 0.007 0.000 0.289 50 I C -0.902 175.181 176.117 -0.056 0.000 1.010 50 I CA -0.529 60.739 61.300 -0.052 0.000 1.098 50 I CB 1.761 39.732 38.000 -0.048 0.000 1.266 50 I HN 0.225 nan 8.210 nan 0.000 0.434 51 L N 6.986 128.172 121.223 -0.062 0.000 2.287 51 L HA 0.564 4.909 4.340 0.007 0.000 0.287 51 L C -0.995 175.829 176.870 -0.076 0.000 1.022 51 L CA -0.692 54.103 54.840 -0.075 0.000 0.814 51 L CB 1.782 43.791 42.059 -0.083 0.000 1.217 51 L HN 0.396 nan 8.230 nan 0.000 0.420 52 L N 3.194 124.363 121.223 -0.089 0.000 2.406 52 L HA 0.476 4.821 4.340 0.007 0.000 0.272 52 L C -0.479 176.312 176.870 -0.132 0.000 0.980 52 L CA -0.205 54.580 54.840 -0.093 0.000 0.831 52 L CB 1.667 43.682 42.059 -0.072 0.000 1.253 52 L HN 0.420 nan 8.230 nan 0.000 0.406 53 D N 2.521 122.844 120.400 -0.129 0.000 2.368 53 D HA 0.173 4.818 4.640 0.007 0.000 0.240 53 D C 0.674 176.856 176.300 -0.198 0.000 1.169 53 D CA 0.120 54.026 54.000 -0.156 0.000 0.906 53 D CB 1.485 42.212 40.800 -0.122 0.000 1.187 53 D HN 0.352 nan 8.370 nan 0.000 0.435 54 V N 1.315 121.081 119.914 -0.247 0.000 2.627 54 V HA 0.091 4.216 4.120 0.007 0.000 0.239 54 V C 0.964 176.887 176.094 -0.285 0.000 1.077 54 V CA 0.679 62.760 62.300 -0.365 0.000 1.103 54 V CB -0.177 31.355 31.823 -0.485 0.000 0.802 54 V HN 0.543 nan 8.190 nan 0.000 0.482 55 M N 1.432 120.916 119.600 -0.192 0.000 2.120 55 M HA 0.544 5.028 4.480 0.007 0.000 0.354 55 M C -0.855 175.388 176.300 -0.094 0.000 1.287 55 M CA 0.992 56.217 55.300 -0.126 0.000 1.103 55 M CB 0.796 33.344 32.600 -0.085 0.000 1.623 55 M HN 0.232 nan 8.290 nan 0.000 0.471 56 M N 4.217 123.771 119.600 -0.077 0.000 2.471 56 M HA 0.429 4.913 4.480 0.007 0.000 0.284 56 M C -2.551 173.724 176.300 -0.041 0.000 1.203 56 M CA -1.651 53.615 55.300 -0.058 0.000 0.915 56 M CB 2.494 35.056 32.600 -0.063 0.000 1.734 56 M HN 0.357 nan 8.290 nan 0.000 0.485 57 P HA 0.289 nan 4.420 nan 0.000 0.269 57 P C 0.508 177.798 177.300 -0.017 0.000 1.209 57 P CA 0.765 63.852 63.100 -0.020 0.000 0.776 57 P CB 0.592 32.282 31.700 -0.017 0.000 0.876 58 G N 2.190 110.984 108.800 -0.010 0.000 2.531 58 G HA2 -0.314 3.651 3.960 0.007 0.000 0.274 58 G HA3 -0.314 3.651 3.960 0.007 0.000 0.274 58 G C 0.010 174.907 174.900 -0.006 0.000 1.159 58 G CA 0.150 45.247 45.100 -0.006 0.000 0.969 58 G HN 0.745 nan 8.290 nan 0.000 0.554 59 M N 2.743 122.340 119.600 -0.005 0.000 2.303 59 M HA 0.367 4.852 4.480 0.007 0.000 0.350 59 M C 0.653 176.942 176.300 -0.018 0.000 1.518 59 M CA 0.515 55.813 55.300 -0.003 0.000 1.070 59 M CB -0.047 32.552 32.600 -0.001 0.000 1.910 59 M HN 0.780 nan 8.290 nan 0.000 0.458 60 D N 3.462 123.851 120.400 -0.018 0.000 2.432 60 D HA 0.354 4.998 4.640 0.007 0.000 0.258 60 D C 1.072 177.322 176.300 -0.083 0.000 1.146 60 D CA -0.315 53.646 54.000 -0.065 0.000 1.015 60 D CB 0.495 41.250 40.800 -0.076 0.000 1.107 60 D HN 0.612 nan 8.370 nan 0.000 0.529 61 G N -0.802 107.882 108.800 -0.194 0.000 2.432 61 G HA2 -0.214 3.751 3.960 0.007 0.000 0.219 61 G HA3 -0.214 3.751 3.960 0.007 0.000 0.219 61 G C 1.035 175.896 174.900 -0.065 0.000 1.135 61 G CA 0.314 45.305 45.100 -0.181 0.000 0.767 61 G HN 0.387 nan 8.290 nan 0.000 0.550 62 F N 1.563 121.528 119.950 0.025 0.000 2.186 62 F HA 0.032 4.563 4.527 0.007 0.000 0.299 62 F C 2.946 178.755 175.800 0.015 0.000 1.090 62 F CA 1.282 59.299 58.000 0.029 0.000 1.307 62 F CB -0.974 38.046 39.000 0.033 0.000 1.019 62 F HN 0.037 nan 8.300 nan 0.000 0.489 63 T N -0.471 114.197 114.554 0.191 0.000 2.812 63 T HA -0.086 4.268 4.350 0.007 0.000 0.264 63 T C 2.371 177.110 174.700 0.065 0.000 1.042 63 T CA 1.142 63.304 62.100 0.104 0.000 1.140 63 T CB -0.635 68.276 68.868 0.072 0.000 0.870 63 T HN 0.013 nan 8.240 nan 0.000 0.445 64 V N 1.043 120.984 119.914 0.044 0.000 2.287 64 V HA -0.235 3.890 4.120 0.007 0.000 0.248 64 V C 2.830 178.943 176.094 0.031 0.000 1.053 64 V CA 1.741 64.054 62.300 0.022 0.000 1.027 64 V CB -0.696 31.125 31.823 -0.003 0.000 0.646 64 V HN 0.691 nan 8.190 nan 0.000 0.447 65 C N -0.221 119.113 119.300 0.056 0.000 2.435 65 C HA -0.083 4.382 4.460 0.007 0.000 0.279 65 C C 2.931 177.953 174.990 0.054 0.000 1.321 65 C CA 0.954 60.008 59.018 0.061 0.000 1.752 65 C CB -1.138 26.667 27.740 0.109 0.000 1.959 65 C HN 0.514 nan 8.230 nan 0.000 0.500 66 R N 0.470 121.009 120.500 0.065 0.000 2.066 66 R HA -0.082 4.262 4.340 0.007 0.000 0.232 66 R C 2.384 178.697 176.300 0.023 0.000 1.131 66 R CA 1.599 57.724 56.100 0.040 0.000 0.955 66 R CB -0.167 30.159 30.300 0.043 0.000 0.851 66 R HN 0.566 nan 8.270 nan 0.000 0.432 67 K N 0.369 120.784 120.400 0.025 0.000 2.147 67 K HA -0.120 4.204 4.320 0.007 0.000 0.205 67 K C 2.049 178.654 176.600 0.009 0.000 1.049 67 K CA 1.060 57.356 56.287 0.015 0.000 0.936 67 K CB -0.100 32.410 32.500 0.016 0.000 0.722 67 K HN 0.147 nan 8.250 nan 0.000 0.446 68 L N 0.914 122.141 121.223 0.008 0.000 2.083 68 L HA -0.187 4.158 4.340 0.007 0.000 0.209 68 L C 2.182 179.047 176.870 -0.008 0.000 1.083 68 L CA 1.091 55.929 54.840 -0.002 0.000 0.752 68 L CB -0.169 41.883 42.059 -0.010 0.000 0.899 68 L HN 0.065 nan 8.230 nan 0.000 0.433 69 K N -0.527 119.869 120.400 -0.007 0.000 2.243 69 K HA -0.037 4.287 4.320 0.007 0.000 0.201 69 K C 1.265 177.854 176.600 -0.018 0.000 1.051 69 K CA 0.772 57.048 56.287 -0.018 0.000 0.970 69 K CB -0.193 32.297 32.500 -0.016 0.000 0.755 69 K HN 0.255 nan 8.250 nan 0.000 0.465 70 D N 1.040 121.435 120.400 -0.008 0.000 2.363 70 D HA -0.067 4.577 4.640 0.007 0.000 0.226 70 D C -0.038 176.259 176.300 -0.004 0.000 1.020 70 D CA 0.512 54.507 54.000 -0.008 0.000 0.892 70 D CB -0.044 40.755 40.800 -0.002 0.000 0.900 70 D HN 0.187 nan 8.370 nan 0.000 0.531 71 D N 0.190 120.590 120.400 0.001 0.000 2.256 71 D HA 0.129 4.773 4.640 0.007 0.000 0.240 71 D C -1.589 174.719 176.300 0.013 0.000 1.062 71 D CA -2.154 51.851 54.000 0.009 0.000 0.832 71 D CB 2.154 42.964 40.800 0.016 0.000 1.135 71 D HN -0.249 nan 8.370 nan 0.000 0.484 72 P HA -0.153 nan 4.420 nan 0.000 0.218 72 P C 1.063 178.388 177.300 0.042 0.000 1.148 72 P CA 1.098 64.207 63.100 0.015 0.000 0.822 72 P CB 0.139 31.852 31.700 0.022 0.000 0.784 73 T N -0.445 114.142 114.554 0.055 0.000 2.821 73 T HA -0.089 4.266 4.350 0.007 0.000 0.267 73 T C 1.740 176.550 174.700 0.183 0.000 1.046 73 T CA 2.312 64.464 62.100 0.086 0.000 1.139 73 T CB -0.884 68.025 68.868 0.068 0.000 0.871 73 T HN 0.365 nan 8.240 nan 0.000 0.454 74 T N -0.457 114.173 114.554 0.127 0.000 3.014 74 T HA 0.232 4.586 4.350 0.007 0.000 0.250 74 T C 1.764 176.483 174.700 0.031 0.000 1.060 74 T CA -0.125 62.024 62.100 0.082 0.000 1.040 74 T CB -0.002 68.878 68.868 0.019 0.000 0.971 74 T HN 0.196 nan 8.240 nan 0.000 0.497 75 R N 1.616 122.149 120.500 0.055 0.000 2.153 75 R HA -0.275 4.069 4.340 0.007 0.000 0.252 75 R C 2.305 178.580 176.300 -0.043 0.000 1.158 75 R CA 2.440 58.529 56.100 -0.018 0.000 0.975 75 R CB -0.547 29.718 30.300 -0.060 0.000 0.871 75 R HN 0.876 nan 8.270 nan 0.000 0.450 76 H N -1.729 117.265 119.070 -0.127 0.000 2.547 76 H HA 0.162 4.722 4.556 0.006 0.000 0.272 76 H C 0.294 175.602 175.328 -0.033 0.000 0.989 76 H CA 0.058 56.038 56.048 -0.113 0.000 1.214 76 H CB -0.091 29.627 29.762 -0.073 0.000 1.389 76 H HN 0.135 nan 8.280 nan 0.000 0.577 77 I N 3.262 123.509 120.570 -0.538 0.000 2.396 77 I HA 0.162 4.336 4.170 0.007 0.000 0.289 77 I C -2.148 173.866 176.117 -0.171 0.000 1.056 77 I CA -2.343 58.707 61.300 -0.416 0.000 1.365 77 I CB 0.936 38.729 38.000 -0.346 0.000 1.407 77 I HN 0.081 nan 8.210 nan 0.000 0.509 78 P HA 0.091 nan 4.420 nan 0.000 0.267 78 P C -0.728 176.548 177.300 -0.040 0.000 1.205 78 P CA -0.046 63.029 63.100 -0.040 0.000 0.765 78 P CB 0.645 32.344 31.700 -0.001 0.000 0.828 79 V N 4.762 124.663 119.914 -0.022 0.000 2.513 79 V HA 0.342 4.466 4.120 0.007 0.000 0.299 79 V C 0.103 176.197 176.094 -0.000 0.000 1.035 79 V CA -0.636 61.654 62.300 -0.016 0.000 0.889 79 V CB 2.203 34.024 31.823 -0.004 0.000 0.988 79 V HN 0.208 nan 8.190 nan 0.000 0.440 80 V N 6.058 125.960 119.914 -0.019 0.000 2.409 80 V HA 0.437 4.562 4.120 0.007 0.000 0.291 80 V C -0.161 175.900 176.094 -0.055 0.000 1.020 80 V CA -0.503 61.783 62.300 -0.023 0.000 0.848 80 V CB 1.612 33.409 31.823 -0.044 0.000 0.990 80 V HN 0.640 nan 8.190 nan 0.000 0.430 81 L N 6.141 127.332 121.223 -0.054 0.000 2.331 81 L HA 0.542 4.886 4.340 0.007 0.000 0.278 81 L C -0.456 176.234 176.870 -0.300 0.000 1.106 81 L CA -0.010 54.738 54.840 -0.154 0.000 0.824 81 L CB 0.937 42.939 42.059 -0.096 0.000 1.142 81 L HN 0.486 nan 8.230 nan 0.000 0.443 82 I N 2.726 123.122 120.570 -0.289 0.000 2.468 82 I HA 0.391 4.566 4.170 0.007 0.000 0.285 82 I C -0.288 175.654 176.117 -0.291 0.000 1.039 82 I CA -0.112 61.016 61.300 -0.286 0.000 1.074 82 I CB 2.073 39.959 38.000 -0.190 0.000 1.228 82 I HN 0.523 nan 8.210 nan 0.000 0.436 83 T N 3.105 117.456 114.554 -0.338 0.000 2.889 83 T HA 0.552 4.906 4.350 0.007 0.000 0.315 83 T C 0.601 175.194 174.700 -0.179 0.000 1.291 83 T CA 0.095 62.029 62.100 -0.277 0.000 1.028 83 T CB 1.868 70.511 68.868 -0.376 0.000 1.235 83 T HN 0.582 nan 8.240 nan 0.000 0.491 84 A N 3.461 126.216 122.820 -0.109 0.000 2.066 84 A HA 0.260 4.585 4.320 0.007 0.000 0.218 84 A C 1.075 178.653 177.584 -0.011 0.000 1.157 84 A CA 0.539 52.543 52.037 -0.055 0.000 0.670 84 A CB -0.449 18.525 19.000 -0.042 0.000 0.804 84 A HN 0.634 nan 8.150 nan 0.000 0.453 85 L N 1.351 122.582 121.223 0.013 0.000 2.490 85 L HA 0.033 4.378 4.340 0.007 0.000 0.274 85 L C 0.690 177.669 176.870 0.181 0.000 1.201 85 L CA 0.938 55.846 54.840 0.112 0.000 0.869 85 L CB 0.321 42.499 42.059 0.198 0.000 1.123 85 L HN 0.619 nan 8.230 nan 0.000 0.484 86 D N 0.028 120.523 120.400 0.158 0.000 2.514 86 D HA 0.037 4.681 4.640 0.007 0.000 0.225 86 D C 0.811 177.186 176.300 0.125 0.000 1.159 86 D CA -0.125 53.973 54.000 0.163 0.000 0.823 86 D CB 0.074 40.929 40.800 0.092 0.000 1.097 86 D HN 0.457 nan 8.370 nan 0.000 0.519 87 G N 1.302 110.165 108.800 0.104 0.000 2.414 87 G HA2 0.036 4.000 3.960 0.007 0.000 0.236 87 G HA3 0.036 4.000 3.960 0.007 0.000 0.236 87 G C 0.812 175.714 174.900 0.004 0.000 1.293 87 G CA -0.196 44.935 45.100 0.051 0.000 0.869 87 G HN 0.233 nan 8.290 nan 0.000 0.556 88 R N 1.345 121.828 120.500 -0.027 0.000 2.075 88 R HA -0.047 4.297 4.340 0.007 0.000 0.232 88 R C 2.607 178.839 176.300 -0.114 0.000 1.126 88 R CA 1.792 57.845 56.100 -0.079 0.000 0.963 88 R CB -0.722 29.544 30.300 -0.056 0.000 0.858 88 R HN 0.613 nan 8.270 nan 0.000 0.435 89 G N 1.107 109.864 108.800 -0.072 0.000 2.529 89 G HA2 -0.313 3.651 3.960 0.007 0.000 0.219 89 G HA3 -0.313 3.651 3.960 0.007 0.000 0.219 89 G C 0.951 175.782 174.900 -0.115 0.000 1.177 89 G CA 1.329 46.380 45.100 -0.081 0.000 0.773 89 G HN 0.426 nan 8.290 nan 0.000 0.573 90 D N 0.071 120.441 120.400 -0.051 0.000 2.144 90 D HA -0.091 4.554 4.640 0.007 0.000 0.200 90 D C 2.407 178.563 176.300 -0.239 0.000 0.978 90 D CA 0.849 54.877 54.000 0.046 0.000 0.833 90 D CB -0.178 40.795 40.800 0.288 0.000 0.961 90 D HN 0.371 nan 8.370 nan 0.000 0.470 91 R N 0.921 121.071 120.500 -0.583 0.000 2.081 91 R HA -0.105 4.239 4.340 0.007 0.000 0.235 91 R C 2.433 178.338 176.300 -0.659 0.000 1.131 91 R CA 0.955 56.301 56.100 -1.256 0.000 0.960 91 R CB -0.235 29.569 30.300 -0.826 0.000 0.856 91 R HN 0.123 nan 8.270 nan 0.000 0.436 92 I N 0.557 120.902 120.570 -0.375 0.000 2.286 92 I HA -0.246 3.929 4.170 0.007 0.000 0.245 92 I C 2.755 178.716 176.117 -0.259 0.000 1.104 92 I CA 1.180 62.329 61.300 -0.251 0.000 1.397 92 I CB -0.344 37.550 38.000 -0.177 0.000 1.072 92 I HN 0.393 nan 8.210 nan 0.000 0.417 93 Q N 0.995 120.593 119.800 -0.337 0.000 2.135 93 Q HA -0.185 4.159 4.340 0.007 0.000 0.204 93 Q C 2.191 177.875 176.000 -0.527 0.000 0.981 93 Q CA 1.873 57.382 55.803 -0.491 0.000 0.856 93 Q CB -0.231 28.061 28.738 -0.742 0.000 0.902 93 Q HN 0.579 nan 8.270 nan 0.000 0.425 94 G N 0.982 109.583 108.800 -0.332 0.000 2.433 94 G HA2 -0.233 3.731 3.960 0.007 0.000 0.216 94 G HA3 -0.233 3.731 3.960 0.007 0.000 0.216 94 G C 1.360 176.303 174.900 0.071 0.000 1.186 94 G CA 0.806 45.986 45.100 0.134 0.000 0.779 94 G HN 0.325 nan 8.290 nan 0.000 0.543 95 L N 0.041 121.252 121.223 -0.020 0.000 2.141 95 L HA 0.019 4.363 4.340 0.007 0.000 0.209 95 L C 2.761 179.614 176.870 -0.028 0.000 1.094 95 L CA 0.907 55.744 54.840 -0.004 0.000 0.763 95 L CB -0.401 41.637 42.059 -0.036 0.000 0.908 95 L HN 0.285 nan 8.230 nan 0.000 0.437 96 E N 0.060 120.215 120.200 -0.074 0.000 2.204 96 E HA -0.153 4.202 4.350 0.007 0.000 0.194 96 E C 2.035 178.604 176.600 -0.053 0.000 0.989 96 E CA 1.328 57.686 56.400 -0.070 0.000 0.824 96 E CB 0.064 29.704 29.700 -0.101 0.000 0.756 96 E HN 0.453 nan 8.360 nan 0.000 0.477 97 S N -1.168 114.502 115.700 -0.050 0.000 2.631 97 S HA 0.198 4.672 4.470 0.007 0.000 0.217 97 S C 1.308 175.922 174.600 0.024 0.000 0.958 97 S CA 0.303 58.495 58.200 -0.012 0.000 0.920 97 S CB 0.707 63.910 63.200 0.006 0.000 0.776 97 S HN 0.313 nan 8.310 nan 0.000 0.517 98 G N 0.101 108.913 108.800 0.021 0.000 2.168 98 G HA2 0.026 3.991 3.960 0.007 0.000 0.197 98 G HA3 0.026 3.991 3.960 0.007 0.000 0.197 98 G C 0.158 175.078 174.900 0.033 0.000 0.997 98 G CA -0.302 44.809 45.100 0.018 0.000 0.658 98 G HN 1.156 nan 8.290 nan 0.000 0.513 99 A N 0.386 123.245 122.820 0.066 0.000 2.388 99 A HA 0.769 5.094 4.320 0.007 0.000 0.257 99 A C 1.535 179.158 177.584 0.065 0.000 1.095 99 A CA 1.052 53.137 52.037 0.079 0.000 0.791 99 A CB 0.638 19.723 19.000 0.143 0.000 1.029 99 A HN 0.839 nan 8.150 nan 0.000 0.489 100 S N 0.521 116.251 115.700 0.050 0.000 2.387 100 S HA -0.013 4.462 4.470 0.007 0.000 0.226 100 S C 0.543 175.181 174.600 0.063 0.000 1.026 100 S CA 1.246 59.473 58.200 0.044 0.000 0.972 100 S CB -0.085 63.137 63.200 0.037 0.000 0.814 100 S HN 0.854 nan 8.310 nan 0.000 0.477 101 D N -1.726 118.723 120.400 0.081 0.000 2.615 101 D HA 0.446 5.090 4.640 0.007 0.000 0.267 101 D C -2.045 174.360 176.300 0.175 0.000 1.236 101 D CA -0.593 53.474 54.000 0.111 0.000 0.839 101 D CB 1.832 42.675 40.800 0.071 0.000 1.380 101 D HN 0.065 nan 8.370 nan 0.000 0.433 102 F N 2.216 122.175 119.950 0.014 0.000 2.659 102 F HA 0.485 5.017 4.527 0.007 0.000 0.342 102 F C -1.597 174.208 175.800 0.007 0.000 1.168 102 F CA -0.535 57.478 58.000 0.022 0.000 1.003 102 F CB 0.689 39.715 39.000 0.043 0.000 1.267 102 F HN 0.134 nan 8.300 nan 0.000 0.463 103 L N 5.362 126.459 121.223 -0.210 0.000 2.322 103 L HA 0.515 4.859 4.340 0.007 0.000 0.281 103 L C -0.113 176.615 176.870 -0.236 0.000 1.014 103 L CA -0.693 54.066 54.840 -0.136 0.000 0.815 103 L CB 2.166 44.153 42.059 -0.121 0.000 1.247 103 L HN 0.490 nan 8.230 nan 0.000 0.421 104 T N 2.816 117.317 114.554 -0.089 0.000 2.767 104 T HA 0.261 4.615 4.350 0.007 0.000 0.288 104 T C 0.030 174.685 174.700 -0.074 0.000 0.963 104 T CA -0.613 61.440 62.100 -0.078 0.000 1.019 104 T CB 0.874 69.764 68.868 0.036 0.000 0.923 104 T HN 0.382 nan 8.240 nan 0.000 0.468 105 K N 4.094 124.439 120.400 -0.091 0.000 2.382 105 K HA 0.248 4.572 4.320 0.007 0.000 0.275 105 K C -2.063 174.510 176.600 -0.044 0.000 1.009 105 K CA -1.182 55.060 56.287 -0.075 0.000 0.970 105 K CB 0.218 32.671 32.500 -0.079 0.000 0.934 105 K HN 0.377 nan 8.250 nan 0.000 0.479 106 P HA 0.192 nan 4.420 nan 0.000 0.290 106 P C -0.513 176.754 177.300 -0.055 0.000 1.276 106 P CA -0.632 62.439 63.100 -0.049 0.000 0.808 106 P CB 0.513 32.192 31.700 -0.036 0.000 0.966 107 I N -1.023 119.502 120.570 -0.075 0.000 2.720 107 I HA 0.343 4.518 4.170 0.007 0.000 0.287 107 I C 0.292 176.359 176.117 -0.083 0.000 1.090 107 I CA -0.410 60.837 61.300 -0.088 0.000 1.384 107 I CB 0.384 38.310 38.000 -0.124 0.000 1.420 107 I HN 0.137 nan 8.210 nan 0.000 0.575 108 D N 3.970 124.323 120.400 -0.077 0.000 2.338 108 D HA 0.020 4.664 4.640 0.007 0.000 0.255 108 D C 0.424 176.650 176.300 -0.124 0.000 1.237 108 D CA 0.010 53.968 54.000 -0.069 0.000 0.883 108 D CB 0.934 41.709 40.800 -0.040 0.000 1.087 108 D HN 0.589 nan 8.370 nan 0.000 0.485 109 D N 3.099 123.419 120.400 -0.133 0.000 2.097 109 D HA -0.148 4.497 4.640 0.007 0.000 0.195 109 D C 2.120 178.289 176.300 -0.218 0.000 0.989 109 D CA 0.851 54.691 54.000 -0.266 0.000 0.827 109 D CB 0.093 40.827 40.800 -0.110 0.000 0.966 109 D HN 0.283 nan 8.370 nan 0.000 0.456 110 V N 0.799 120.709 119.914 -0.006 0.000 2.380 110 V HA -0.273 3.851 4.120 0.007 0.000 0.251 110 V C 2.343 178.468 176.094 0.052 0.000 1.063 110 V CA 1.416 63.773 62.300 0.096 0.000 1.055 110 V CB -0.357 31.512 31.823 0.077 0.000 0.657 110 V HN 0.139 nan 8.190 nan 0.000 0.455 111 M N -0.757 118.830 119.600 -0.021 0.000 2.123 111 M HA -0.014 4.470 4.480 0.007 0.000 0.263 111 M C 1.836 178.102 176.300 -0.056 0.000 1.069 111 M CA 1.556 56.845 55.300 -0.019 0.000 1.133 111 M CB -0.675 31.909 32.600 -0.027 0.000 1.356 111 M HN 0.280 nan 8.290 nan 0.000 0.415 112 L N -0.326 120.793 121.223 -0.174 0.000 2.013 112 L HA -0.192 4.153 4.340 0.007 0.000 0.212 112 L C 1.910 178.680 176.870 -0.166 0.000 1.073 112 L CA 2.096 56.789 54.840 -0.244 0.000 0.753 112 L CB -1.047 40.744 42.059 -0.448 0.000 0.890 112 L HN 0.271 nan 8.230 nan 0.000 0.432 113 F N -0.135 119.822 119.950 0.012 0.000 2.186 113 F HA -0.073 4.458 4.527 0.007 0.000 0.299 113 F C 2.543 178.366 175.800 0.038 0.000 1.090 113 F CA 0.925 58.946 58.000 0.036 0.000 1.307 113 F CB -1.609 37.433 39.000 0.071 0.000 1.019 113 F HN 0.195 nan 8.300 nan 0.000 0.489 114 A N 0.050 122.993 122.820 0.204 0.000 1.902 114 A HA -0.232 4.092 4.320 0.007 0.000 0.217 114 A C 2.284 179.923 177.584 0.092 0.000 1.181 114 A CA 2.011 54.125 52.037 0.128 0.000 0.623 114 A CB -0.658 18.396 19.000 0.091 0.000 0.818 114 A HN 0.257 nan 8.150 nan 0.000 0.443 115 R N -0.185 120.356 120.500 0.068 0.000 2.075 115 R HA -0.032 4.312 4.340 0.007 0.000 0.232 115 R C 1.792 178.123 176.300 0.051 0.000 1.126 115 R CA 2.012 58.144 56.100 0.053 0.000 0.963 115 R CB -1.190 29.125 30.300 0.024 0.000 0.858 115 R HN 0.221 nan 8.270 nan 0.000 0.435 116 V N 1.201 121.141 119.914 0.043 0.000 2.407 116 V HA -0.201 3.924 4.120 0.007 0.000 0.248 116 V C 2.443 178.570 176.094 0.055 0.000 1.055 116 V CA 2.126 64.433 62.300 0.011 0.000 1.049 116 V CB -0.479 31.306 31.823 -0.063 0.000 0.662 116 V HN 0.348 nan 8.190 nan 0.000 0.455 117 R N -0.505 120.057 120.500 0.103 0.000 2.115 117 R HA -0.125 4.220 4.340 0.007 0.000 0.230 117 R C 2.655 178.959 176.300 0.006 0.000 1.111 117 R CA 1.494 57.648 56.100 0.091 0.000 0.976 117 R CB -0.453 29.908 30.300 0.102 0.000 0.870 117 R HN 0.514 nan 8.270 nan 0.000 0.445 118 S N 0.919 116.619 115.700 0.001 0.000 2.355 118 S HA -0.070 4.405 4.470 0.007 0.000 0.222 118 S C 1.977 176.538 174.600 -0.065 0.000 1.031 118 S CA 0.929 59.084 58.200 -0.074 0.000 0.993 118 S CB -0.075 63.156 63.200 0.052 0.000 0.859 118 S HN 0.204 nan 8.310 nan 0.000 0.453 119 L N 1.213 122.486 121.223 0.082 0.000 2.093 119 L HA -0.062 4.282 4.340 0.007 0.000 0.208 119 L C 2.974 179.909 176.870 0.108 0.000 1.085 119 L CA 1.667 56.603 54.840 0.160 0.000 0.755 119 L CB -1.047 41.077 42.059 0.109 0.000 0.904 119 L HN 0.542 nan 8.230 nan 0.000 0.435 120 T N -2.929 111.656 114.554 0.053 0.000 2.951 120 T HA -0.207 4.148 4.350 0.007 0.000 0.268 120 T C 2.004 176.714 174.700 0.017 0.000 1.073 120 T CA 0.700 62.836 62.100 0.060 0.000 1.134 120 T CB -0.240 68.681 68.868 0.089 0.000 0.884 120 T HN 0.223 nan 8.240 nan 0.000 0.479 121 R N -0.681 119.766 120.500 -0.088 0.000 2.115 121 R HA 0.080 4.425 4.340 0.007 0.000 0.226 121 R C 1.676 177.876 176.300 -0.166 0.000 1.100 121 R CA 1.012 57.002 56.100 -0.183 0.000 0.980 121 R CB -0.233 29.864 30.300 -0.339 0.000 0.875 121 R HN 0.436 nan 8.270 nan 0.000 0.445 122 F N 0.369 120.352 119.950 0.055 0.000 2.335 122 F HA 0.080 4.611 4.527 0.007 0.000 0.296 122 F C 2.181 178.022 175.800 0.068 0.000 1.091 122 F CA 0.713 58.748 58.000 0.057 0.000 1.399 122 F CB -0.137 38.897 39.000 0.056 0.000 1.067 122 F HN -0.172 nan 8.300 nan 0.000 0.520 123 K N 0.523 121.062 120.400 0.231 0.000 2.365 123 K HA -0.051 4.273 4.320 0.007 0.000 0.199 123 K C 1.964 178.650 176.600 0.144 0.000 1.045 123 K CA 0.385 56.781 56.287 0.183 0.000 0.962 123 K CB -0.176 32.413 32.500 0.148 0.000 0.759 123 K HN 0.318 nan 8.250 nan 0.000 0.469 124 L N 0.055 121.346 121.223 0.113 0.000 1.994 124 L HA -0.211 4.133 4.340 0.007 0.000 0.208 124 L C 2.268 179.195 176.870 0.094 0.000 1.071 124 L CA 1.142 56.034 54.840 0.086 0.000 0.745 124 L CB -0.423 41.669 42.059 0.054 0.000 0.892 124 L HN -0.020 nan 8.230 nan 0.000 0.431 125 V N 0.118 120.099 119.914 0.112 0.000 2.379 125 V HA -0.255 3.869 4.120 0.007 0.000 0.245 125 V C 2.287 178.442 176.094 0.102 0.000 1.044 125 V CA 1.609 63.969 62.300 0.100 0.000 1.036 125 V CB -0.218 31.672 31.823 0.112 0.000 0.664 125 V HN 0.309 nan 8.190 nan 0.000 0.453 126 I N 0.174 120.825 120.570 0.135 0.000 2.226 126 I HA -0.243 3.932 4.170 0.007 0.000 0.245 126 I C 2.197 178.391 176.117 0.129 0.000 1.100 126 I CA 1.676 63.064 61.300 0.147 0.000 1.374 126 I CB -0.557 37.569 38.000 0.211 0.000 1.057 126 I HN 0.289 nan 8.210 nan 0.000 0.413 127 D N 0.442 120.919 120.400 0.128 0.000 2.178 127 D HA -0.191 4.454 4.640 0.007 0.000 0.202 127 D C 2.074 178.415 176.300 0.069 0.000 0.974 127 D CA 1.031 55.094 54.000 0.106 0.000 0.841 127 D CB -0.101 40.767 40.800 0.114 0.000 0.953 127 D HN 0.280 nan 8.370 nan 0.000 0.478 128 E N 0.175 120.412 120.200 0.061 0.000 2.152 128 E HA -0.023 4.332 4.350 0.007 0.000 0.192 128 E C 2.048 178.665 176.600 0.028 0.000 0.983 128 E CA 0.469 56.894 56.400 0.041 0.000 0.818 128 E CB -0.196 29.527 29.700 0.038 0.000 0.758 128 E HN 0.236 nan 8.360 nan 0.000 0.467 129 L N -0.067 121.173 121.223 0.029 0.000 2.093 129 L HA -0.080 4.264 4.340 0.007 0.000 0.208 129 L C 2.508 179.376 176.870 -0.004 0.000 1.085 129 L CA 1.221 56.063 54.840 0.004 0.000 0.755 129 L CB -0.288 41.767 42.059 -0.007 0.000 0.904 129 L HN 0.068 nan 8.230 nan 0.000 0.435 130 R N -0.604 119.907 120.500 0.018 0.000 2.189 130 R HA -0.151 4.193 4.340 0.007 0.000 0.218 130 R C 2.200 178.507 176.300 0.011 0.000 1.074 130 R CA 0.805 56.916 56.100 0.018 0.000 0.991 130 R CB -0.134 30.187 30.300 0.035 0.000 0.883 130 R HN 0.440 nan 8.270 nan 0.000 0.457 131 Q N 0.252 120.061 119.800 0.015 0.000 2.020 131 Q HA -0.090 4.254 4.340 0.007 0.000 0.198 131 Q C 1.917 177.920 176.000 0.005 0.000 0.974 131 Q CA 0.960 56.770 55.803 0.013 0.000 0.829 131 Q CB 0.226 28.975 28.738 0.019 0.000 0.894 131 Q HN 0.031 nan 8.270 nan 0.000 0.433 132 R N 0.805 121.306 120.500 0.001 0.000 2.091 132 R HA -0.147 4.198 4.340 0.007 0.000 0.238 132 R C 2.034 178.326 176.300 -0.014 0.000 1.136 132 R CA 1.250 57.347 56.100 -0.006 0.000 0.959 132 R CB -0.740 29.553 30.300 -0.010 0.000 0.856 132 R HN 0.416 nan 8.270 nan 0.000 0.437 133 E N 0.619 120.807 120.200 -0.020 0.000 2.047 133 E HA -0.096 4.258 4.350 0.007 0.000 0.191 133 E C 1.718 178.312 176.600 -0.010 0.000 0.987 133 E CA 1.300 57.684 56.400 -0.027 0.000 0.799 133 E CB -0.064 29.612 29.700 -0.040 0.000 0.752 133 E HN 0.197 nan 8.360 nan 0.000 0.449 134 A N 0.648 123.467 122.820 -0.001 0.000 2.054 134 A HA -0.150 4.175 4.320 0.007 0.000 0.223 134 A C 1.717 179.304 177.584 0.004 0.000 1.169 134 A CA 1.545 53.585 52.037 0.006 0.000 0.655 134 A CB -0.414 18.591 19.000 0.009 0.000 0.812 134 A HN 0.186 nan 8.150 nan 0.000 0.462 135 S N 0.186 115.886 115.700 0.000 0.000 4.087 135 S HA 0.530 5.005 4.470 0.007 0.000 0.213 135 S C 0.326 174.923 174.600 -0.005 0.000 1.415 135 S CA 0.204 58.403 58.200 -0.001 0.000 0.893 135 S CB -0.373 62.826 63.200 -0.001 0.000 1.529 135 S HN 1.239 nan 8.310 nan 0.000 0.457 150 D N -0.036 120.349 120.400 -0.026 0.000 2.477 150 D HA 0.644 5.288 4.640 0.007 0.000 0.234 150 D C 0.308 176.609 176.300 0.003 0.000 1.048 150 D CA 0.178 54.168 54.000 -0.016 0.000 0.959 150 D CB 2.538 43.324 40.800 -0.023 0.000 1.408 150 D HN 0.585 nan 8.370 nan 0.000 0.496 151 G N 0.509 109.315 108.800 0.011 0.000 3.324 151 G HA2 0.273 4.237 3.960 0.007 0.000 0.251 151 G HA3 0.273 4.237 3.960 0.007 0.000 0.251 151 G C 0.269 175.211 174.900 0.069 0.000 1.072 151 G CA -0.115 45.013 45.100 0.047 0.000 0.787 151 G HN 0.326 nan 8.290 nan 0.000 0.537 152 L N 0.028 121.239 121.223 -0.020 0.000 2.416 152 L HA 0.695 5.040 4.340 0.007 0.000 0.262 152 L C 1.277 178.052 176.870 -0.159 0.000 1.093 152 L CA 0.173 54.914 54.840 -0.165 0.000 0.801 152 L CB 0.975 42.929 42.059 -0.176 0.000 1.191 152 L HN 0.354 nan 8.230 nan 0.000 0.459 153 G N 0.349 108.960 108.800 -0.316 0.000 2.642 153 G HA2 0.261 4.226 3.960 0.007 0.000 0.231 153 G HA3 0.261 4.226 3.960 0.007 0.000 0.231 153 G C 0.073 175.008 174.900 0.059 0.000 1.338 153 G CA -0.292 44.733 45.100 -0.125 0.000 0.883 153 G HN 1.607 nan 8.290 nan 0.000 0.570 154 G N -1.543 107.300 108.800 0.071 0.000 2.722 154 G HA2 0.305 4.269 3.960 0.007 0.000 0.686 154 G HA3 0.305 4.269 3.960 0.007 0.000 0.686 154 G C -0.283 174.693 174.900 0.126 0.000 1.282 154 G CA 0.536 45.700 45.100 0.106 0.000 0.817 154 G HN 1.321 nan 8.290 nan 0.000 0.605 155 R N -0.161 120.384 120.500 0.075 0.000 2.346 155 R HA 0.629 4.973 4.340 0.007 0.000 0.311 155 R C -0.441 175.882 176.300 0.038 0.000 0.983 155 R CA -0.845 55.289 56.100 0.056 0.000 0.880 155 R CB 2.164 32.488 30.300 0.039 0.000 1.100 155 R HN 0.392 nan 8.270 nan 0.000 0.453 156 V N 4.861 124.791 119.914 0.027 0.000 2.409 156 V HA 0.196 4.321 4.120 0.007 0.000 0.290 156 V C -0.730 175.369 176.094 0.008 0.000 1.017 156 V CA -0.836 61.465 62.300 0.001 0.000 0.841 156 V CB 1.605 33.399 31.823 -0.049 0.000 1.003 156 V HN 0.525 nan 8.190 nan 0.000 0.426 157 L N 6.686 127.920 121.223 0.018 0.000 2.350 157 L HA 0.609 4.953 4.340 0.007 0.000 0.275 157 L C -0.442 176.440 176.870 0.020 0.000 1.099 157 L CA 0.434 55.287 54.840 0.022 0.000 0.808 157 L CB 0.958 43.039 42.059 0.037 0.000 1.149 157 L HN 0.541 nan 8.230 nan 0.000 0.442 158 I N 5.801 126.376 120.570 0.009 0.000 2.411 158 I HA 0.255 4.429 4.170 0.007 0.000 0.284 158 I C -0.855 175.259 176.117 -0.004 0.000 1.012 158 I CA -0.667 60.637 61.300 0.007 0.000 1.119 158 I CB 1.661 39.663 38.000 0.003 0.000 1.261 158 I HN 0.252 nan 8.210 nan 0.000 0.448 159 V N 4.660 124.573 119.914 -0.001 0.000 2.217 159 V HA 0.337 4.461 4.120 0.007 0.000 0.264 159 V C -0.583 175.565 176.094 0.089 0.000 1.107 159 V CA -0.237 62.039 62.300 -0.040 0.000 0.913 159 V CB 0.491 32.194 31.823 -0.200 0.000 1.153 159 V HN 0.606 nan 8.190 nan 0.000 0.469 160 D N 2.099 122.550 120.400 0.085 0.000 2.819 160 D HA 0.342 4.986 4.640 0.007 0.000 0.232 160 D C 0.137 176.500 176.300 0.104 0.000 1.160 160 D CA -0.496 53.564 54.000 0.100 0.000 0.858 160 D CB 2.554 43.375 40.800 0.036 0.000 1.610 160 D HN 0.449 nan 8.370 nan 0.000 0.481 161 D N 1.168 121.633 120.400 0.108 0.000 2.363 161 D HA -0.020 4.625 4.640 0.007 0.000 0.214 161 D C -0.010 176.305 176.300 0.025 0.000 1.093 161 D CA -0.268 53.784 54.000 0.086 0.000 0.837 161 D CB -0.151 40.733 40.800 0.139 0.000 0.948 161 D HN 0.111 nan 8.370 nan 0.000 0.507 162 N N 1.717 120.421 118.700 0.006 0.000 2.602 162 N HA -0.004 4.740 4.740 0.007 0.000 0.238 162 N C 0.937 176.448 175.510 0.002 0.000 1.084 162 N CA -0.089 52.959 53.050 -0.004 0.000 0.952 162 N CB 1.226 39.703 38.487 -0.016 0.000 1.244 162 N HN -0.036 nan 8.380 nan 0.000 0.512 163 E N 3.705 123.907 120.200 0.004 0.000 2.048 163 E HA -0.264 4.090 4.350 0.007 0.000 0.202 163 E C 1.699 178.299 176.600 0.001 0.000 1.021 163 E CA 1.768 58.170 56.400 0.004 0.000 0.825 163 E CB -0.055 29.647 29.700 0.003 0.000 0.756 163 E HN 0.649 nan 8.360 nan 0.000 0.454 164 R N -0.049 120.450 120.500 -0.001 0.000 2.083 164 R HA -0.215 4.129 4.340 0.007 0.000 0.237 164 R C 2.619 178.917 176.300 -0.003 0.000 1.137 164 R CA 2.084 58.182 56.100 -0.003 0.000 0.951 164 R CB -0.387 29.911 30.300 -0.004 0.000 0.851 164 R HN 0.414 nan 8.270 nan 0.000 0.434 165 Q N -0.187 119.611 119.800 -0.005 0.000 2.119 165 Q HA -0.134 4.210 4.340 0.007 0.000 0.201 165 Q C 1.877 177.875 176.000 -0.004 0.000 0.972 165 Q CA 1.520 57.320 55.803 -0.006 0.000 0.847 165 Q CB -0.109 28.623 28.738 -0.009 0.000 0.903 165 Q HN 0.478 nan 8.270 nan 0.000 0.433 166 A N 0.871 123.690 122.820 -0.001 0.000 1.978 166 A HA -0.218 4.106 4.320 0.007 0.000 0.220 166 A C 1.995 179.579 177.584 0.000 0.000 1.170 166 A CA 1.511 53.549 52.037 0.002 0.000 0.636 166 A CB -0.392 18.612 19.000 0.006 0.000 0.810 166 A HN 0.439 nan 8.150 nan 0.000 0.448 167 Q N -0.475 119.325 119.800 -0.000 0.000 2.187 167 Q HA -0.054 4.290 4.340 0.007 0.000 0.199 167 Q C 2.183 178.183 176.000 -0.000 0.000 0.957 167 Q CA 1.099 56.902 55.803 0.000 0.000 0.857 167 Q CB -0.287 28.451 28.738 -0.000 0.000 0.929 167 Q HN 0.727 nan 8.270 nan 0.000 0.453 168 R N -0.007 120.491 120.500 -0.002 0.000 2.073 168 R HA -0.012 4.332 4.340 0.007 0.000 0.229 168 R C 2.410 178.708 176.300 -0.004 0.000 1.120 168 R CA 0.967 57.065 56.100 -0.003 0.000 0.967 168 R CB -0.367 29.930 30.300 -0.005 0.000 0.862 168 R HN 0.029 nan 8.270 nan 0.000 0.436 169 V N 1.467 121.378 119.914 -0.005 0.000 2.332 169 V HA -0.263 3.861 4.120 0.007 0.000 0.248 169 V C 2.509 178.599 176.094 -0.006 0.000 1.055 169 V CA 2.096 64.390 62.300 -0.009 0.000 1.038 169 V CB -0.734 31.082 31.823 -0.010 0.000 0.651 169 V HN 0.395 nan 8.190 nan 0.000 0.450 170 A N -0.235 122.584 122.820 -0.001 0.000 1.930 170 A HA -0.023 4.302 4.320 0.007 0.000 0.217 170 A C 2.417 180.007 177.584 0.010 0.000 1.175 170 A CA 1.854 53.894 52.037 0.004 0.000 0.627 170 A CB -0.685 18.317 19.000 0.005 0.000 0.815 170 A HN 0.556 nan 8.150 nan 0.000 0.443 171 A N -0.007 122.817 122.820 0.007 0.000 1.877 171 A HA -0.157 4.167 4.320 0.007 0.000 0.216 171 A C 2.002 179.595 177.584 0.014 0.000 1.186 171 A CA 2.190 54.232 52.037 0.009 0.000 0.620 171 A CB -0.520 18.483 19.000 0.004 0.000 0.822 171 A HN 0.541 nan 8.150 nan 0.000 0.443 172 E N 0.340 120.546 120.200 0.011 0.000 2.031 172 E HA -0.129 4.225 4.350 0.007 0.000 0.193 172 E C 1.846 178.469 176.600 0.039 0.000 0.994 172 E CA 1.483 57.892 56.400 0.015 0.000 0.800 172 E CB -0.534 29.168 29.700 0.003 0.000 0.752 172 E HN 0.541 nan 8.360 nan 0.000 0.447 173 L N -0.058 121.186 121.223 0.035 0.000 2.127 173 L HA -0.090 4.255 4.340 0.007 0.000 0.211 173 L C 2.467 179.419 176.870 0.137 0.000 1.089 173 L CA 1.106 55.993 54.840 0.079 0.000 0.757 173 L CB -0.836 41.218 42.059 -0.008 0.000 0.899 173 L HN 0.363 nan 8.230 nan 0.000 0.434 174 G N -0.250 108.593 108.800 0.072 0.000 2.485 174 G HA2 -0.223 3.742 3.960 0.007 0.000 0.221 174 G HA3 -0.223 3.742 3.960 0.007 0.000 0.221 174 G C 1.552 176.479 174.900 0.045 0.000 1.115 174 G CA 1.040 46.174 45.100 0.056 0.000 0.751 174 G HN 0.251 nan 8.290 nan 0.000 0.567 175 V N 0.372 120.311 119.914 0.043 0.000 2.358 175 V HA -0.070 4.054 4.120 0.007 0.000 0.246 175 V C 2.304 178.389 176.094 -0.015 0.000 1.047 175 V CA 1.969 64.278 62.300 0.014 0.000 1.035 175 V CB -0.179 31.651 31.823 0.013 0.000 0.658 175 V HN 0.348 nan 8.190 nan 0.000 0.452 176 E N -2.184 118.002 120.200 -0.023 0.000 2.562 176 E HA 0.224 4.578 4.350 0.007 0.000 0.214 176 E C 0.295 176.629 176.600 -0.443 0.000 0.979 176 E CA 0.057 56.332 56.400 -0.209 0.000 1.002 176 E CB 0.548 30.086 29.700 -0.269 0.000 1.048 176 E HN 0.671 nan 8.360 nan 0.000 0.488 177 H N -0.080 118.987 119.070 -0.005 0.000 3.043 177 H HA 0.505 5.066 4.556 0.007 0.000 0.302 177 H C -0.097 175.230 175.328 -0.001 0.000 1.506 177 H CA -0.793 55.253 56.048 -0.002 0.000 1.282 177 H CB 1.352 31.113 29.762 -0.002 0.000 1.914 177 H HN -0.221 nan 8.280 nan 0.000 0.625 178 R N 1.651 122.240 120.500 0.149 0.000 2.494 178 R HA 0.259 4.603 4.340 0.007 0.000 0.284 178 R C -2.723 173.614 176.300 0.062 0.000 1.525 178 R CA -1.628 54.517 56.100 0.075 0.000 1.460 178 R CB 1.389 31.719 30.300 0.050 0.000 1.134 178 R HN 0.303 nan 8.270 nan 0.000 0.592 179 P HA 0.197 nan 4.420 nan 0.000 0.279 179 P C -0.530 176.781 177.300 0.019 0.000 1.239 179 P CA -0.342 62.775 63.100 0.029 0.000 0.789 179 P CB 1.789 33.502 31.700 0.023 0.000 0.933 180 V N 4.509 124.431 119.914 0.013 0.000 2.569 180 V HA 0.330 4.454 4.120 0.007 0.000 0.301 180 V C 0.411 176.507 176.094 0.003 0.000 1.044 180 V CA -0.599 61.706 62.300 0.009 0.000 0.874 180 V CB 1.879 33.708 31.823 0.011 0.000 1.002 180 V HN 0.449 nan 8.190 nan 0.000 0.424 181 I N 3.615 124.184 120.570 -0.001 0.000 2.499 181 I HA 0.606 4.781 4.170 0.007 0.000 0.296 181 I C -0.179 175.928 176.117 -0.016 0.000 0.992 181 I CA -0.070 61.226 61.300 -0.006 0.000 1.297 181 I CB 1.595 39.593 38.000 -0.004 0.000 1.410 181 I HN 0.628 nan 8.210 nan 0.000 0.507 182 E N 2.476 122.657 120.200 -0.031 0.000 2.343 182 E HA 0.217 4.571 4.350 0.007 0.000 0.288 182 E C -0.378 176.169 176.600 -0.087 0.000 0.907 182 E CA -0.392 55.974 56.400 -0.056 0.000 0.792 182 E CB 1.373 31.036 29.700 -0.063 0.000 1.275 182 E HN 0.499 nan 8.360 nan 0.000 0.402 183 S N 2.245 117.898 115.700 -0.078 0.000 2.468 183 S HA 0.108 4.582 4.470 0.007 0.000 0.226 183 S C 0.711 175.201 174.600 -0.183 0.000 1.051 183 S CA 0.017 58.174 58.200 -0.071 0.000 0.943 183 S CB -0.074 63.124 63.200 -0.003 0.000 0.810 183 S HN 0.451 nan 8.310 nan 0.000 0.509 184 D N 4.515 124.819 120.400 -0.161 0.000 2.389 184 D HA 0.173 4.817 4.640 0.007 0.000 0.263 184 D C -1.240 174.867 176.300 -0.321 0.000 1.255 184 D CA -1.878 52.006 54.000 -0.194 0.000 0.914 184 D CB 1.383 42.120 40.800 -0.106 0.000 1.116 184 D HN 0.118 nan 8.370 nan 0.000 0.502 185 P HA -0.122 nan 4.420 nan 0.000 0.217 185 P C 1.051 178.228 177.300 -0.205 0.000 1.151 185 P CA 0.645 63.368 63.100 -0.627 0.000 0.828 185 P CB 0.533 31.730 31.700 -0.839 0.000 0.788 186 E N 0.806 120.932 120.200 -0.123 0.000 2.118 186 E HA -0.166 4.188 4.350 0.007 0.000 0.195 186 E C 1.940 178.534 176.600 -0.011 0.000 0.992 186 E CA 1.255 57.638 56.400 -0.028 0.000 0.804 186 E CB -0.285 29.399 29.700 -0.027 0.000 0.741 186 E HN 0.394 nan 8.360 nan 0.000 0.458 187 K N 0.020 120.395 120.400 -0.043 0.000 2.167 187 K HA 0.051 4.375 4.320 0.007 0.000 0.203 187 K C 2.064 178.660 176.600 -0.006 0.000 1.052 187 K CA 0.772 57.044 56.287 -0.024 0.000 0.956 187 K CB 0.020 32.496 32.500 -0.038 0.000 0.735 187 K HN 0.006 nan 8.250 nan 0.000 0.451 188 A N 1.675 124.476 122.820 -0.031 0.000 2.015 188 A HA -0.169 4.155 4.320 0.007 0.000 0.219 188 A C 1.831 179.532 177.584 0.195 0.000 1.163 188 A CA 1.391 53.441 52.037 0.022 0.000 0.646 188 A CB -0.202 18.695 19.000 -0.171 0.000 0.806 188 A HN 0.145 nan 8.150 nan 0.000 0.448 189 K N -0.441 120.095 120.400 0.225 0.000 2.097 189 K HA -0.001 4.323 4.320 0.007 0.000 0.206 189 K C 1.633 178.275 176.600 0.070 0.000 1.049 189 K CA 1.327 57.709 56.287 0.158 0.000 0.933 189 K CB -0.261 32.304 32.500 0.109 0.000 0.717 189 K HN 0.559 nan 8.250 nan 0.000 0.442 190 I N 0.181 120.782 120.570 0.052 0.000 2.162 190 I HA -0.270 3.904 4.170 0.007 0.000 0.238 190 I C 2.044 178.179 176.117 0.030 0.000 1.076 190 I CA 1.125 62.442 61.300 0.029 0.000 1.353 190 I CB -0.181 37.829 38.000 0.017 0.000 1.063 190 I HN 0.050 nan 8.210 nan 0.000 0.408 191 S N 1.086 116.806 115.700 0.033 0.000 2.383 191 S HA -0.227 4.247 4.470 0.007 0.000 0.229 191 S C 2.268 176.892 174.600 0.041 0.000 1.030 191 S CA 1.285 59.503 58.200 0.031 0.000 1.002 191 S CB -0.580 62.636 63.200 0.027 0.000 0.829 191 S HN 0.543 nan 8.310 nan 0.000 0.467 192 A N 1.626 124.484 122.820 0.063 0.000 1.958 192 A HA -0.062 4.262 4.320 0.007 0.000 0.221 192 A C 2.328 179.930 177.584 0.029 0.000 1.178 192 A CA 1.859 53.931 52.037 0.058 0.000 0.642 192 A CB -1.453 17.592 19.000 0.074 0.000 0.816 192 A HN 0.553 nan 8.150 nan 0.000 0.453 193 G N -0.901 107.912 108.800 0.022 0.000 2.471 193 G HA2 0.259 4.224 3.960 0.007 0.000 0.219 193 G HA3 0.259 4.224 3.960 0.007 0.000 0.219 193 G C 0.959 175.866 174.900 0.013 0.000 1.125 193 G CA 0.993 46.101 45.100 0.012 0.000 0.775 193 G HN 0.809 nan 8.290 nan 0.000 0.548 194 G N 0.606 109.416 108.800 0.016 0.000 2.485 194 G HA2 0.417 4.381 3.960 0.007 0.000 0.260 194 G HA3 0.417 4.381 3.960 0.007 0.000 0.260 194 G C -1.934 172.976 174.900 0.016 0.000 1.459 194 G CA -0.468 44.640 45.100 0.015 0.000 1.060 194 G HN 0.133 nan 8.290 nan 0.000 0.546 195 P HA 0.329 nan 4.420 nan 0.000 0.247 195 P C -0.882 176.431 177.300 0.022 0.000 1.756 195 P CA -0.055 63.056 63.100 0.018 0.000 1.117 195 P CB 0.532 32.242 31.700 0.016 0.000 1.869 196 V N 2.655 122.583 119.914 0.023 0.000 2.628 196 V HA 0.241 4.366 4.120 0.007 0.000 0.306 196 V C 0.874 176.983 176.094 0.025 0.000 1.045 196 V CA -0.286 62.030 62.300 0.026 0.000 0.905 196 V CB 2.315 34.156 31.823 0.030 0.000 0.997 196 V HN 0.255 nan 8.190 nan 0.000 0.436 197 D N 1.797 122.213 120.400 0.027 0.000 2.338 197 D HA 0.229 4.873 4.640 0.007 0.000 0.208 197 D C -0.079 176.229 176.300 0.014 0.000 0.997 197 D CA 0.771 54.786 54.000 0.025 0.000 0.880 197 D CB 1.371 42.194 40.800 0.038 0.000 0.980 197 D HN 0.287 nan 8.370 nan 0.000 0.509 198 L N 0.360 121.590 121.223 0.011 0.000 2.545 198 L HA 0.333 4.678 4.340 0.007 0.000 0.258 198 L C -1.827 175.052 176.870 0.015 0.000 0.942 198 L CA -0.734 54.106 54.840 0.001 0.000 0.855 198 L CB 2.340 44.384 42.059 -0.024 0.000 1.374 198 L HN -0.336 nan 8.230 nan 0.000 0.411 199 V N 5.297 125.229 119.914 0.031 0.000 2.417 199 V HA 0.530 4.654 4.120 0.007 0.000 0.291 199 V C -0.028 176.102 176.094 0.060 0.000 1.024 199 V CA -0.396 61.943 62.300 0.065 0.000 0.861 199 V CB 1.524 33.417 31.823 0.117 0.000 0.985 199 V HN 0.596 nan 8.190 nan 0.000 0.436 200 I N 5.243 125.843 120.570 0.051 0.000 2.321 200 I HA 0.474 4.648 4.170 0.007 0.000 0.291 200 I C -0.479 175.682 176.117 0.073 0.000 0.998 200 I CA -0.504 60.823 61.300 0.045 0.000 1.227 200 I CB 1.690 39.698 38.000 0.013 0.000 1.368 200 I HN 0.343 nan 8.210 nan 0.000 0.466 201 V N 4.918 124.891 119.914 0.097 0.000 2.715 201 V HA 0.371 4.496 4.120 0.007 0.000 0.310 201 V C -0.047 176.096 176.094 0.081 0.000 1.054 201 V CA -0.940 61.435 62.300 0.125 0.000 0.928 201 V CB 1.952 33.905 31.823 0.217 0.000 1.007 201 V HN 0.626 nan 8.190 nan 0.000 0.437 202 N N 2.164 120.903 118.700 0.065 0.000 2.437 202 N HA 0.383 5.127 4.740 0.007 0.000 0.243 202 N C 0.760 176.242 175.510 -0.047 0.000 1.041 202 N CA 0.198 53.245 53.050 -0.006 0.000 0.940 202 N CB 1.609 40.069 38.487 -0.045 0.000 1.133 202 N HN 0.827 nan 8.380 nan 0.000 0.506 203 A N 3.288 126.099 122.820 -0.015 0.000 2.015 203 A HA 0.044 4.368 4.320 0.007 0.000 0.219 203 A C 1.416 178.957 177.584 -0.073 0.000 1.163 203 A CA 1.396 53.423 52.037 -0.016 0.000 0.646 203 A CB -0.201 18.808 19.000 0.015 0.000 0.806 203 A HN 0.644 nan 8.150 nan 0.000 0.448 204 A N -0.512 122.255 122.820 -0.088 0.000 2.640 204 A HA 0.668 4.992 4.320 0.007 0.000 0.282 204 A C 0.929 178.413 177.584 -0.166 0.000 1.357 204 A CA 0.350 52.326 52.037 -0.101 0.000 0.946 204 A CB -1.072 17.890 19.000 -0.063 0.000 1.065 204 A HN 0.802 nan 8.150 nan 0.000 0.541 205 A N 0.092 122.735 122.820 -0.295 0.000 2.386 205 A HA 0.432 4.757 4.320 0.007 0.000 0.246 205 A C 1.060 178.440 177.584 -0.340 0.000 1.089 205 A CA 0.090 51.859 52.037 -0.447 0.000 0.790 205 A CB 0.344 18.693 19.000 -1.085 0.000 1.042 205 A HN 0.488 nan 8.150 nan 0.000 0.497 206 K N -0.099 120.144 120.400 -0.262 0.000 2.313 206 K HA 0.043 4.367 4.320 0.007 0.000 0.197 206 K C 0.395 176.934 176.600 -0.102 0.000 1.061 206 K CA 0.554 56.755 56.287 -0.142 0.000 0.980 206 K CB 0.177 32.630 32.500 -0.079 0.000 0.888 206 K HN 0.614 nan 8.250 nan 0.000 0.502 207 N N 0.259 118.908 118.700 -0.084 0.000 2.280 207 N HA 0.115 4.859 4.740 0.007 0.000 0.192 207 N C -0.589 175.055 175.510 0.222 0.000 1.109 207 N CA 0.196 53.291 53.050 0.076 0.000 0.855 207 N CB 0.388 38.962 38.487 0.145 0.000 0.974 207 N HN 0.099 nan 8.380 nan 0.000 0.482 208 F N -3.026 116.916 119.950 -0.014 0.000 2.741 208 F HA 0.413 4.944 4.527 0.007 0.000 0.313 208 F C -1.200 174.607 175.800 0.012 0.000 1.153 208 F CA -1.500 56.499 58.000 -0.002 0.000 0.931 208 F CB 0.804 39.793 39.000 -0.019 0.000 1.335 208 F HN -0.355 nan 8.300 nan 0.000 0.460 209 D N 1.197 121.704 120.400 0.179 0.000 2.411 209 D HA 0.268 4.912 4.640 0.007 0.000 0.225 209 D C 1.307 177.735 176.300 0.213 0.000 1.156 209 D CA 0.475 54.529 54.000 0.091 0.000 0.874 209 D CB 1.422 42.286 40.800 0.108 0.000 1.034 209 D HN 0.858 nan 8.370 nan 0.000 0.502 210 G N 3.691 112.524 108.800 0.054 0.000 2.556 210 G HA2 -0.276 3.688 3.960 0.007 0.000 0.220 210 G HA3 -0.276 3.688 3.960 0.007 0.000 0.220 210 G C 1.596 176.656 174.900 0.267 0.000 1.156 210 G CA 0.643 45.862 45.100 0.198 0.000 0.766 210 G HN 0.571 nan 8.290 nan 0.000 0.583 211 L N -0.405 120.914 121.223 0.160 0.000 2.056 211 L HA 0.014 4.359 4.340 0.007 0.000 0.207 211 L C 2.922 179.878 176.870 0.143 0.000 1.078 211 L CA 1.300 56.221 54.840 0.135 0.000 0.749 211 L CB -0.405 41.705 42.059 0.084 0.000 0.901 211 L HN 0.227 nan 8.230 nan 0.000 0.433 212 R N 0.169 120.764 120.500 0.158 0.000 2.073 212 R HA -0.247 4.097 4.340 0.007 0.000 0.234 212 R C 2.397 178.797 176.300 0.166 0.000 1.134 212 R CA 1.820 58.005 56.100 0.142 0.000 0.952 212 R CB -0.487 29.900 30.300 0.145 0.000 0.850 212 R HN 0.220 nan 8.270 nan 0.000 0.433 213 F N 1.312 121.333 119.950 0.119 0.000 2.126 213 F HA -0.200 4.331 4.527 0.007 0.000 0.299 213 F C 1.895 177.738 175.800 0.071 0.000 1.096 213 F CA 2.239 60.295 58.000 0.094 0.000 1.255 213 F CB -0.546 38.535 39.000 0.136 0.000 0.997 213 F HN 0.003 nan 8.300 nan 0.000 0.479 214 T N 0.677 115.259 114.554 0.046 0.000 2.788 214 T HA -0.139 4.215 4.350 0.007 0.000 0.268 214 T C 2.252 176.893 174.700 -0.099 0.000 1.044 214 T CA 1.285 63.346 62.100 -0.064 0.000 1.139 214 T CB -0.866 68.057 68.868 0.092 0.000 0.867 214 T HN 0.391 nan 8.240 nan 0.000 0.454 215 A N 1.676 124.476 122.820 -0.033 0.000 1.908 215 A HA 0.083 4.408 4.320 0.007 0.000 0.218 215 A C 2.686 180.226 177.584 -0.072 0.000 1.181 215 A CA 1.933 53.955 52.037 -0.026 0.000 0.627 215 A CB -1.208 17.797 19.000 0.008 0.000 0.818 215 A HN 0.516 nan 8.150 nan 0.000 0.445 216 A N -0.184 122.564 122.820 -0.120 0.000 1.908 216 A HA -0.106 4.218 4.320 0.007 0.000 0.218 216 A C 2.186 179.660 177.584 -0.184 0.000 1.181 216 A CA 1.610 53.560 52.037 -0.145 0.000 0.627 216 A CB -0.654 18.246 19.000 -0.167 0.000 0.818 216 A HN 0.495 nan 8.150 nan 0.000 0.445 217 L N -1.220 119.828 121.223 -0.292 0.000 2.046 217 L HA -0.198 4.146 4.340 0.007 0.000 0.208 217 L C 2.917 179.726 176.870 -0.103 0.000 1.077 217 L CA 1.276 55.983 54.840 -0.222 0.000 0.747 217 L CB -0.584 41.314 42.059 -0.269 0.000 0.896 217 L HN 0.330 nan 8.230 nan 0.000 0.432 218 R N 0.199 120.655 120.500 -0.072 0.000 2.081 218 R HA -0.117 4.227 4.340 0.007 0.000 0.235 218 R C 2.585 178.874 176.300 -0.018 0.000 1.131 218 R CA 1.714 57.803 56.100 -0.018 0.000 0.960 218 R CB -0.839 29.465 30.300 0.007 0.000 0.856 218 R HN 0.526 nan 8.270 nan 0.000 0.436 219 S N 0.739 116.420 115.700 -0.031 0.000 2.368 219 S HA -0.078 4.396 4.470 0.007 0.000 0.225 219 S C 0.767 175.353 174.600 -0.023 0.000 1.030 219 S CA 0.545 58.731 58.200 -0.023 0.000 0.999 219 S CB -0.140 63.045 63.200 -0.025 0.000 0.844 219 S HN 0.115 nan 8.310 nan 0.000 0.459 220 E N 2.209 122.387 120.200 -0.036 0.000 2.344 220 E HA 0.096 4.450 4.350 0.007 0.000 0.270 220 E C 1.191 177.780 176.600 -0.019 0.000 1.021 220 E CA 0.087 56.469 56.400 -0.030 0.000 0.887 220 E CB 0.868 30.542 29.700 -0.044 0.000 0.997 220 E HN 0.740 nan 8.360 nan 0.000 0.429 221 E N 3.818 124.012 120.200 -0.011 0.000 2.051 221 E HA -0.249 4.105 4.350 0.007 0.000 0.192 221 E C 1.835 178.434 176.600 -0.003 0.000 0.991 221 E CA 0.890 57.287 56.400 -0.004 0.000 0.799 221 E CB -0.109 29.590 29.700 -0.002 0.000 0.748 221 E HN 0.329 nan 8.360 nan 0.000 0.449 222 R N 1.132 121.628 120.500 -0.006 0.000 2.193 222 R HA -0.095 4.250 4.340 0.007 0.000 0.229 222 R C 1.449 177.747 176.300 -0.003 0.000 1.110 222 R CA 1.823 57.921 56.100 -0.004 0.000 0.988 222 R CB -0.091 30.206 30.300 -0.005 0.000 0.871 222 R HN 0.421 nan 8.270 nan 0.000 0.458 223 T N -3.783 110.764 114.554 -0.010 0.000 3.040 223 T HA 0.161 4.515 4.350 0.007 0.000 0.266 223 T C 1.433 176.130 174.700 -0.005 0.000 1.005 223 T CA -0.416 61.677 62.100 -0.012 0.000 0.906 223 T CB 0.092 68.940 68.868 -0.033 0.000 1.082 223 T HN 0.181 nan 8.240 nan 0.000 0.531 224 R N 1.223 121.725 120.500 0.004 0.000 2.127 224 R HA -0.088 4.257 4.340 0.007 0.000 0.238 224 R C 1.976 178.305 176.300 0.049 0.000 1.134 224 R CA 1.461 57.575 56.100 0.023 0.000 0.975 224 R CB -0.138 30.177 30.300 0.026 0.000 0.865 224 R HN 0.297 nan 8.270 nan 0.000 0.447 225 Q N 0.232 120.056 119.800 0.040 0.000 2.389 225 Q HA -0.007 4.337 4.340 0.007 0.000 0.204 225 Q C 0.203 176.213 176.000 0.017 0.000 0.944 225 Q CA 0.017 55.847 55.803 0.044 0.000 0.908 225 Q CB -0.074 28.686 28.738 0.037 0.000 1.002 225 Q HN 0.195 nan 8.270 nan 0.000 0.493 226 L N 3.540 124.769 121.223 0.011 0.000 2.628 226 L HA 0.057 4.402 4.340 0.007 0.000 0.274 226 L C -2.343 174.519 176.870 -0.013 0.000 1.209 226 L CA -1.175 53.665 54.840 0.001 0.000 0.930 226 L CB 0.050 42.111 42.059 0.004 0.000 1.183 226 L HN -0.127 nan 8.230 nan 0.000 0.492 227 P HA 0.170 nan 4.420 nan 0.000 0.271 227 P C -1.165 176.122 177.300 -0.020 0.000 1.216 227 P CA -0.059 63.002 63.100 -0.064 0.000 0.771 227 P CB 0.899 32.553 31.700 -0.076 0.000 0.864 228 V N 4.383 124.291 119.914 -0.010 0.000 2.735 228 V HA 0.432 4.556 4.120 0.007 0.000 0.310 228 V C -0.499 175.613 176.094 0.030 0.000 1.061 228 V CA -0.658 61.662 62.300 0.034 0.000 0.913 228 V CB 2.087 33.950 31.823 0.066 0.000 1.005 228 V HN 0.307 nan 8.190 nan 0.000 0.428 229 L N 4.127 125.373 121.223 0.039 0.000 2.349 229 L HA 0.899 5.243 4.340 0.007 0.000 0.278 229 L C 0.010 176.910 176.870 0.050 0.000 0.996 229 L CA -0.390 54.468 54.840 0.030 0.000 0.825 229 L CB 1.314 43.377 42.059 0.006 0.000 1.243 229 L HN 0.785 nan 8.230 nan 0.000 0.412 230 A N 6.206 129.058 122.820 0.053 0.000 2.304 230 A HA 0.755 5.079 4.320 0.007 0.000 0.323 230 A C -0.485 177.122 177.584 0.038 0.000 1.195 230 A CA -0.599 51.474 52.037 0.059 0.000 0.826 230 A CB 0.521 19.563 19.000 0.069 0.000 1.184 230 A HN 0.743 nan 8.150 nan 0.000 0.496 231 M N 3.255 122.873 119.600 0.031 0.000 2.108 231 M HA 0.442 4.926 4.480 0.007 0.000 0.354 231 M C -0.340 175.966 176.300 0.010 0.000 1.229 231 M CA -0.497 54.811 55.300 0.014 0.000 1.081 231 M CB 0.998 33.601 32.600 0.005 0.000 1.606 231 M HN 0.573 nan 8.290 nan 0.000 0.467 232 V N -0.445 119.475 119.914 0.010 0.000 2.914 232 V HA 0.543 4.668 4.120 0.007 0.000 0.314 232 V C -0.730 175.366 176.094 0.003 0.000 1.084 232 V CA -1.065 61.239 62.300 0.008 0.000 0.963 232 V CB 1.997 33.831 31.823 0.018 0.000 1.025 232 V HN 0.744 nan 8.190 nan 0.000 0.432 233 D N 5.103 125.502 120.400 -0.001 0.000 2.382 233 D HA 0.253 4.897 4.640 0.007 0.000 0.259 233 D C -0.997 175.305 176.300 0.004 0.000 1.224 233 D CA -1.623 52.376 54.000 -0.002 0.000 0.894 233 D CB 1.650 42.446 40.800 -0.006 0.000 1.127 233 D HN 0.489 nan 8.370 nan 0.000 0.487 234 P HA -0.102 nan 4.420 nan 0.000 0.220 234 P C -0.014 177.291 177.300 0.009 0.000 1.148 234 P CA 0.757 63.863 63.100 0.009 0.000 0.803 234 P CB 0.339 32.045 31.700 0.009 0.000 0.782 235 D N -0.039 120.364 120.400 0.006 0.000 2.352 235 D HA 0.053 4.697 4.640 0.007 0.000 0.236 235 D C -0.007 176.297 176.300 0.006 0.000 1.148 235 D CA 0.615 54.619 54.000 0.006 0.000 0.844 235 D CB -0.422 40.380 40.800 0.003 0.000 0.933 235 D HN 0.176 nan 8.370 nan 0.000 0.507 236 D N 0.465 120.869 120.400 0.008 0.000 2.363 236 D HA 0.085 4.729 4.640 0.007 0.000 0.258 236 D C 0.986 177.294 176.300 0.013 0.000 1.259 236 D CA -0.451 53.554 54.000 0.009 0.000 0.921 236 D CB 0.565 41.369 40.800 0.006 0.000 1.201 236 D HN -0.172 nan 8.370 nan 0.000 0.524 237 R N 1.655 122.164 120.500 0.015 0.000 2.075 237 R HA -0.018 4.326 4.340 0.007 0.000 0.232 237 R C 1.852 178.166 176.300 0.023 0.000 1.126 237 R CA 1.575 57.686 56.100 0.019 0.000 0.963 237 R CB -0.167 30.144 30.300 0.018 0.000 0.858 237 R HN 0.405 nan 8.270 nan 0.000 0.435 238 G N 0.316 109.129 108.800 0.022 0.000 2.462 238 G HA2 -0.291 3.674 3.960 0.007 0.000 0.220 238 G HA3 -0.291 3.674 3.960 0.007 0.000 0.220 238 G C 1.531 176.446 174.900 0.025 0.000 1.121 238 G CA 0.584 45.699 45.100 0.024 0.000 0.758 238 G HN 0.308 nan 8.290 nan 0.000 0.559 239 R N -0.685 119.828 120.500 0.022 0.000 2.161 239 R HA 0.251 4.596 4.340 0.007 0.000 0.213 239 R C 2.513 178.831 176.300 0.030 0.000 1.055 239 R CA 0.411 56.525 56.100 0.024 0.000 0.996 239 R CB -0.167 30.143 30.300 0.017 0.000 0.901 239 R HN 0.340 nan 8.270 nan 0.000 0.456 240 M N -0.417 119.201 119.600 0.030 0.000 2.099 240 M HA -0.136 4.349 4.480 0.007 0.000 0.262 240 M C 2.097 178.422 176.300 0.042 0.000 1.067 240 M CA 1.311 56.632 55.300 0.036 0.000 1.124 240 M CB -0.049 32.571 32.600 0.032 0.000 1.353 240 M HN 0.005 nan 8.290 nan 0.000 0.410 241 V N 0.714 120.652 119.914 0.040 0.000 2.287 241 V HA -0.302 3.822 4.120 0.007 0.000 0.248 241 V C 2.376 178.496 176.094 0.044 0.000 1.053 241 V CA 1.848 64.175 62.300 0.045 0.000 1.027 241 V CB -0.765 31.086 31.823 0.046 0.000 0.646 241 V HN 0.464 nan 8.190 nan 0.000 0.447 242 K N -0.148 120.275 120.400 0.039 0.000 2.103 242 K HA -0.215 4.109 4.320 0.007 0.000 0.207 242 K C 2.200 178.827 176.600 0.045 0.000 1.048 242 K CA 1.603 57.913 56.287 0.038 0.000 0.930 242 K CB -0.292 32.229 32.500 0.034 0.000 0.716 242 K HN 0.465 nan 8.250 nan 0.000 0.444 243 A N 1.219 124.070 122.820 0.051 0.000 1.873 243 A HA -0.129 4.196 4.320 0.007 0.000 0.215 243 A C 2.100 179.728 177.584 0.073 0.000 1.186 243 A CA 1.196 53.270 52.037 0.063 0.000 0.616 243 A CB -0.615 18.423 19.000 0.064 0.000 0.823 243 A HN 0.290 nan 8.150 nan 0.000 0.442 244 L N -0.685 120.581 121.223 0.071 0.000 2.079 244 L HA -0.229 4.116 4.340 0.007 0.000 0.210 244 L C 2.596 179.495 176.870 0.049 0.000 1.081 244 L CA 1.660 56.547 54.840 0.079 0.000 0.752 244 L CB -0.532 41.570 42.059 0.073 0.000 0.896 244 L HN 0.500 nan 8.230 nan 0.000 0.433 245 E N 0.312 120.535 120.200 0.037 0.000 2.106 245 E HA -0.201 4.154 4.350 0.007 0.000 0.192 245 E C 2.182 178.789 176.600 0.011 0.000 0.984 245 E CA 1.418 57.827 56.400 0.016 0.000 0.806 245 E CB -0.090 29.622 29.700 0.021 0.000 0.750 245 E HN 0.654 nan 8.360 nan 0.000 0.458 246 I N -3.355 117.234 120.570 0.031 0.000 2.830 246 I HA 0.154 4.328 4.170 0.007 0.000 0.263 246 I C 1.279 177.424 176.117 0.047 0.000 1.230 246 I CA 1.068 62.387 61.300 0.033 0.000 1.480 246 I CB 0.233 38.258 38.000 0.042 0.000 1.095 246 I HN 0.119 nan 8.210 nan 0.000 0.455 247 G N 1.070 109.915 108.800 0.075 0.000 2.161 247 G HA2 -0.116 3.848 3.960 0.007 0.000 0.140 247 G HA3 -0.116 3.848 3.960 0.007 0.000 0.140 247 G C -0.060 175.007 174.900 0.277 0.000 1.040 247 G CA -0.150 45.037 45.100 0.146 0.000 0.735 247 G HN 0.170 nan 8.290 nan 0.000 0.496 248 V N 0.911 120.950 119.914 0.207 0.000 2.655 248 V HA 0.119 4.243 4.120 0.007 0.000 0.300 248 V C 1.667 177.914 176.094 0.254 0.000 1.044 248 V CA 0.967 63.380 62.300 0.188 0.000 1.095 248 V CB 1.078 32.978 31.823 0.128 0.000 0.952 248 V HN 0.421 nan 8.190 nan 0.000 0.485 249 N N 2.513 121.279 118.700 0.110 0.000 2.270 249 N HA 0.005 4.749 4.740 0.007 0.000 0.181 249 N C 0.022 175.554 175.510 0.037 0.000 1.016 249 N CA 0.887 53.911 53.050 -0.043 0.000 0.870 249 N CB 0.101 38.443 38.487 -0.241 0.000 0.979 249 N HN 0.772 nan 8.380 nan 0.000 0.431 250 D N -1.611 118.818 120.400 0.047 0.000 2.648 250 D HA 0.386 5.031 4.640 0.007 0.000 0.244 250 D C -1.575 174.754 176.300 0.048 0.000 1.244 250 D CA -0.555 53.473 54.000 0.048 0.000 0.772 250 D CB 1.515 42.326 40.800 0.018 0.000 1.379 250 D HN -0.210 nan 8.370 nan 0.000 0.428 251 I N 1.735 122.333 120.570 0.047 0.000 2.474 251 I HA 0.440 4.614 4.170 0.007 0.000 0.294 251 I C -0.681 175.453 176.117 0.030 0.000 1.005 251 I CA -0.739 60.586 61.300 0.042 0.000 1.113 251 I CB 1.718 39.746 38.000 0.046 0.000 1.289 251 I HN 0.205 nan 8.210 nan 0.000 0.436 252 L N 4.759 125.995 121.223 0.022 0.000 2.346 252 L HA 0.429 4.773 4.340 0.007 0.000 0.276 252 L C -0.041 176.836 176.870 0.012 0.000 1.006 252 L CA -0.099 54.749 54.840 0.013 0.000 0.817 252 L CB 2.025 44.087 42.059 0.005 0.000 1.272 252 L HN 0.487 nan 8.230 nan 0.000 0.421 253 S N 2.158 117.864 115.700 0.010 0.000 2.565 253 S HA 0.452 4.927 4.470 0.007 0.000 0.274 253 S C -0.031 174.569 174.600 0.001 0.000 1.309 253 S CA -0.610 57.595 58.200 0.008 0.000 1.043 253 S CB 0.628 63.834 63.200 0.010 0.000 0.939 253 S HN 0.406 nan 8.310 nan 0.000 0.504 254 R N 2.708 123.207 120.500 -0.001 0.000 2.410 254 R HA 0.357 4.701 4.340 0.007 0.000 0.288 254 R C -2.178 174.119 176.300 -0.005 0.000 1.051 254 R CA -1.550 54.546 56.100 -0.005 0.000 1.021 254 R CB 0.183 30.478 30.300 -0.009 0.000 1.032 254 R HN 0.441 nan 8.270 nan 0.000 0.481 255 P HA 0.118 nan 4.420 nan 0.000 0.274 255 P C -0.448 176.846 177.300 -0.010 0.000 1.237 255 P CA -0.332 62.763 63.100 -0.009 0.000 0.793 255 P CB 0.710 32.404 31.700 -0.009 0.000 0.977 256 I N 2.068 122.632 120.570 -0.011 0.000 2.347 256 I HA 0.066 4.241 4.170 0.007 0.000 0.294 256 I C 0.881 176.988 176.117 -0.016 0.000 1.090 256 I CA -0.338 60.955 61.300 -0.013 0.000 1.314 256 I CB -0.893 37.099 38.000 -0.012 0.000 1.423 256 I HN 0.355 nan 8.210 nan 0.000 0.503 257 D N 9.936 130.325 120.400 -0.020 0.000 2.401 257 D HA 0.077 4.721 4.640 0.007 0.000 0.254 257 D C -1.615 174.670 176.300 -0.026 0.000 1.192 257 D CA -1.557 52.427 54.000 -0.026 0.000 0.885 257 D CB 1.730 42.510 40.800 -0.034 0.000 1.147 257 D HN 0.219 nan 8.370 nan 0.000 0.478 258 P HA -0.105 nan 4.420 nan 0.000 0.217 258 P C 1.173 178.458 177.300 -0.025 0.000 1.150 258 P CA 1.127 64.215 63.100 -0.021 0.000 0.832 258 P CB 0.310 32.000 31.700 -0.017 0.000 0.787 259 Q N -0.390 119.390 119.800 -0.033 0.000 2.123 259 Q HA -0.164 4.180 4.340 0.007 0.000 0.199 259 Q C 2.259 178.231 176.000 -0.047 0.000 0.966 259 Q CA 1.095 56.874 55.803 -0.040 0.000 0.845 259 Q CB -0.352 28.354 28.738 -0.053 0.000 0.907 259 Q HN 0.414 nan 8.270 nan 0.000 0.439 260 E N 0.928 121.096 120.200 -0.053 0.000 2.051 260 E HA -0.216 4.138 4.350 0.007 0.000 0.192 260 E C 2.056 178.632 176.600 -0.038 0.000 0.991 260 E CA 0.712 57.079 56.400 -0.054 0.000 0.799 260 E CB -0.014 29.653 29.700 -0.055 0.000 0.748 260 E HN 0.167 nan 8.360 nan 0.000 0.449 261 L N 0.851 122.054 121.223 -0.033 0.000 2.013 261 L HA -0.194 4.150 4.340 0.007 0.000 0.212 261 L C 2.339 179.186 176.870 -0.039 0.000 1.073 261 L CA 2.111 56.931 54.840 -0.034 0.000 0.753 261 L CB -0.737 41.303 42.059 -0.031 0.000 0.890 261 L HN 0.034 nan 8.230 nan 0.000 0.432 262 S N -0.426 115.258 115.700 -0.026 0.000 2.383 262 S HA -0.171 4.303 4.470 0.007 0.000 0.229 262 S C 2.032 176.632 174.600 -0.000 0.000 1.030 262 S CA 1.178 59.376 58.200 -0.004 0.000 1.002 262 S CB -0.580 62.633 63.200 0.022 0.000 0.829 262 S HN 0.703 nan 8.310 nan 0.000 0.467 263 A N 1.469 124.279 122.820 -0.015 0.000 1.929 263 A HA -0.012 4.312 4.320 0.007 0.000 0.216 263 A C 2.123 179.699 177.584 -0.014 0.000 1.176 263 A CA 0.904 52.932 52.037 -0.016 0.000 0.628 263 A CB -0.288 18.690 19.000 -0.036 0.000 0.816 263 A HN 0.415 nan 8.150 nan 0.000 0.444 264 R N -0.896 119.591 120.500 -0.021 0.000 2.119 264 R HA 0.036 4.380 4.340 0.007 0.000 0.222 264 R C 1.949 178.231 176.300 -0.030 0.000 1.088 264 R CA 1.046 57.134 56.100 -0.019 0.000 0.984 264 R CB -0.382 29.908 30.300 -0.017 0.000 0.884 264 R HN 0.356 nan 8.270 nan 0.000 0.447 265 V N 1.711 121.594 119.914 -0.053 0.000 2.270 265 V HA -0.264 3.860 4.120 0.007 0.000 0.245 265 V C 2.433 178.501 176.094 -0.043 0.000 1.043 265 V CA 1.671 63.915 62.300 -0.093 0.000 1.014 265 V CB -0.425 31.269 31.823 -0.216 0.000 0.645 265 V HN 0.279 nan 8.190 nan 0.000 0.447 266 K N -0.366 120.042 120.400 0.013 0.000 2.015 266 K HA -0.276 4.048 4.320 0.007 0.000 0.216 266 K C 2.223 178.842 176.600 0.033 0.000 1.052 266 K CA 2.444 58.776 56.287 0.075 0.000 0.937 266 K CB -0.565 31.978 32.500 0.071 0.000 0.719 266 K HN 0.455 nan 8.250 nan 0.000 0.446 267 T N 1.190 115.750 114.554 0.010 0.000 2.685 267 T HA -0.182 4.173 4.350 0.007 0.000 0.268 267 T C 1.862 176.559 174.700 -0.005 0.000 1.034 267 T CA 1.524 63.624 62.100 0.000 0.000 1.149 267 T CB -0.132 68.734 68.868 -0.004 0.000 0.860 267 T HN 0.306 nan 8.240 nan 0.000 0.449 268 Q N 0.178 119.968 119.800 -0.015 0.000 2.083 268 Q HA 0.134 4.478 4.340 0.007 0.000 0.198 268 Q C 2.460 178.453 176.000 -0.011 0.000 0.969 268 Q CA 1.000 56.785 55.803 -0.031 0.000 0.838 268 Q CB -0.498 28.211 28.738 -0.048 0.000 0.900 268 Q HN 0.551 nan 8.270 nan 0.000 0.436 269 I N 0.712 121.286 120.570 0.007 0.000 2.454 269 I HA -0.287 3.888 4.170 0.007 0.000 0.254 269 I C 2.587 178.728 176.117 0.040 0.000 1.156 269 I CA 0.996 62.315 61.300 0.032 0.000 1.433 269 I CB -0.144 37.898 38.000 0.070 0.000 1.082 269 I HN 0.305 nan 8.210 nan 0.000 0.432 270 Q N 0.994 120.814 119.800 0.034 0.000 2.020 270 Q HA -0.216 4.129 4.340 0.007 0.000 0.198 270 Q C 2.461 178.493 176.000 0.055 0.000 0.974 270 Q CA 1.290 57.113 55.803 0.033 0.000 0.829 270 Q CB -0.035 28.710 28.738 0.012 0.000 0.894 270 Q HN 0.300 nan 8.270 nan 0.000 0.433 271 R N 0.475 121.000 120.500 0.041 0.000 2.105 271 R HA -0.213 4.131 4.340 0.007 0.000 0.239 271 R C 2.245 178.608 176.300 0.105 0.000 1.135 271 R CA 1.858 58.001 56.100 0.073 0.000 0.967 271 R CB -0.103 30.211 30.300 0.023 0.000 0.861 271 R HN 0.019 nan 8.270 nan 0.000 0.442 272 K N 0.808 121.239 120.400 0.053 0.000 2.032 272 K HA -0.145 4.180 4.320 0.007 0.000 0.209 272 K C 1.948 178.596 176.600 0.078 0.000 1.048 272 K CA 1.744 58.059 56.287 0.046 0.000 0.927 272 K CB -0.187 32.324 32.500 0.017 0.000 0.712 272 K HN 0.132 nan 8.250 nan 0.000 0.441 273 R N -1.244 119.309 120.500 0.088 0.000 2.115 273 R HA -0.106 4.238 4.340 0.007 0.000 0.230 273 R C 2.161 178.549 176.300 0.146 0.000 1.111 273 R CA 1.367 57.525 56.100 0.096 0.000 0.976 273 R CB -0.426 29.917 30.300 0.072 0.000 0.870 273 R HN 0.340 nan 8.270 nan 0.000 0.445 274 Y N 0.852 121.176 120.300 0.040 0.000 2.373 274 Y HA -0.123 4.431 4.550 0.006 0.000 0.293 274 Y C 1.909 177.894 175.900 0.142 0.000 1.129 274 Y CA 1.385 59.527 58.100 0.069 0.000 1.226 274 Y CB 0.071 38.550 38.460 0.032 0.000 1.000 274 Y HN -0.117 nan 8.280 nan 0.000 0.549 275 T N -0.303 114.301 114.554 0.083 0.000 3.014 275 T HA -0.080 4.274 4.350 0.007 0.000 0.263 275 T C 1.169 175.861 174.700 -0.014 0.000 1.078 275 T CA 1.269 63.371 62.100 0.003 0.000 1.135 275 T CB -0.093 68.817 68.868 0.071 0.000 0.895 275 T HN 0.319 nan 8.240 nan 0.000 0.480 276 D N 0.147 120.565 120.400 0.030 0.000 2.194 276 D HA 0.005 4.649 4.640 0.007 0.000 0.204 276 D C 1.561 177.880 176.300 0.031 0.000 0.964 276 D CA 0.541 54.557 54.000 0.027 0.000 0.846 276 D CB -0.238 40.588 40.800 0.044 0.000 0.962 276 D HN 0.383 nan 8.370 nan 0.000 0.490 277 Y N 1.496 121.735 120.300 -0.102 0.000 2.207 277 Y HA -0.161 4.393 4.550 0.006 0.000 0.287 277 Y C 2.004 177.802 175.900 -0.170 0.000 1.156 277 Y CA 1.306 59.333 58.100 -0.123 0.000 1.182 277 Y CB -0.241 38.143 38.460 -0.127 0.000 0.979 277 Y HN -0.091 nan 8.280 nan 0.000 0.521 278 L N -0.608 120.491 121.223 -0.208 0.000 2.068 278 L HA -0.137 4.207 4.340 0.007 0.000 0.204 278 L C 2.670 179.433 176.870 -0.180 0.000 1.076 278 L CA 1.186 55.867 54.840 -0.265 0.000 0.753 278 L CB -0.536 41.372 42.059 -0.252 0.000 0.910 278 L HN 0.002 nan 8.230 nan 0.000 0.439 279 R N 0.108 120.540 120.500 -0.113 0.000 2.127 279 R HA -0.143 4.201 4.340 0.007 0.000 0.238 279 R C 1.957 178.211 176.300 -0.076 0.000 1.134 279 R CA 1.329 57.386 56.100 -0.071 0.000 0.975 279 R CB -0.225 30.053 30.300 -0.036 0.000 0.865 279 R HN 0.449 nan 8.270 nan 0.000 0.447 280 N N 0.229 118.867 118.700 -0.103 0.000 2.290 280 N HA -0.071 4.673 4.740 0.007 0.000 0.179 280 N C 1.203 176.644 175.510 -0.115 0.000 1.016 280 N CA 0.900 53.895 53.050 -0.090 0.000 0.871 280 N CB -0.324 38.114 38.487 -0.081 0.000 0.987 280 N HN 0.155 nan 8.380 nan 0.000 0.431 281 N N 0.973 119.534 118.700 -0.231 0.000 2.223 281 N HA -0.084 4.660 4.740 0.007 0.000 0.185 281 N C 1.519 176.986 175.510 -0.071 0.000 1.016 281 N CA 0.324 53.261 53.050 -0.188 0.000 0.863 281 N CB -0.278 38.002 38.487 -0.344 0.000 0.983 281 N HN 0.115 nan 8.380 nan 0.000 0.429 282 L N 0.808 121.982 121.223 -0.082 0.000 2.156 282 L HA -0.003 4.341 4.340 0.007 0.000 0.208 282 L C 1.063 177.917 176.870 -0.027 0.000 1.095 282 L CA 1.699 56.509 54.840 -0.051 0.000 0.770 282 L CB -0.595 41.432 42.059 -0.053 0.000 0.914 282 L HN 0.081 nan 8.230 nan 0.000 0.439 283 D N -1.710 118.682 120.400 -0.014 0.000 2.137 283 D HA -0.193 4.451 4.640 0.007 0.000 0.202 283 D C 1.913 178.230 176.300 0.028 0.000 0.970 283 D CA 1.123 55.125 54.000 0.003 0.000 0.837 283 D CB -0.106 40.697 40.800 0.006 0.000 0.981 283 D HN 0.447 nan 8.370 nan 0.000 0.475 284 H N 1.023 120.061 119.070 -0.052 0.000 2.426 284 H HA -0.060 4.500 4.556 0.007 0.000 0.298 284 H C 1.779 177.088 175.328 -0.031 0.000 1.107 284 H CA 1.908 57.931 56.048 -0.042 0.000 1.298 284 H CB 0.122 29.850 29.762 -0.057 0.000 1.377 284 H HN -0.067 nan 8.280 nan 0.000 0.519 285 S N -0.234 115.397 115.700 -0.115 0.000 2.388 285 S HA -0.038 4.436 4.470 0.007 0.000 0.223 285 S C 2.050 176.581 174.600 -0.116 0.000 1.034 285 S CA 0.575 58.682 58.200 -0.155 0.000 0.963 285 S CB -0.319 62.838 63.200 -0.073 0.000 0.827 285 S HN 0.262 nan 8.310 nan 0.000 0.481 286 L N 2.489 123.670 121.223 -0.070 0.000 2.137 286 L HA -0.123 4.222 4.340 0.007 0.000 0.213 286 L C 1.922 178.762 176.870 -0.050 0.000 1.085 286 L CA 1.720 56.531 54.840 -0.047 0.000 0.760 286 L CB -0.929 41.113 42.059 -0.029 0.000 0.893 286 L HN 0.329 nan 8.230 nan 0.000 0.434 287 E N -1.247 118.908 120.200 -0.076 0.000 2.112 287 E HA -0.123 4.231 4.350 0.007 0.000 0.190 287 E C 2.231 178.794 176.600 -0.061 0.000 0.979 287 E CA 0.742 57.110 56.400 -0.052 0.000 0.814 287 E CB -0.121 29.557 29.700 -0.037 0.000 0.762 287 E HN 0.464 nan 8.360 nan 0.000 0.460 288 L N 1.057 122.198 121.223 -0.137 0.000 2.191 288 L HA -0.081 4.263 4.340 0.007 0.000 0.212 288 L C 1.186 178.031 176.870 -0.042 0.000 1.103 288 L CA 0.086 54.864 54.840 -0.102 0.000 0.769 288 L CB -0.377 41.583 42.059 -0.165 0.000 0.908 288 L HN -0.009 nan 8.230 nan 0.000 0.438 289 A N -0.320 122.476 122.820 -0.040 0.000 2.451 289 A HA 0.303 4.628 4.320 0.007 0.000 0.266 289 A C 0.887 178.474 177.584 0.006 0.000 1.119 289 A CA -0.138 51.885 52.037 -0.023 0.000 0.786 289 A CB 0.770 19.753 19.000 -0.027 0.000 1.061 289 A HN 0.014 nan 8.150 nan 0.000 0.503 290 V N 2.478 122.388 119.914 -0.007 0.000 3.621 290 V HA 0.031 4.156 4.120 0.007 0.000 0.263 290 V C 1.398 177.487 176.094 -0.009 0.000 1.272 290 V CA 1.644 63.945 62.300 0.002 0.000 1.080 290 V CB -0.020 31.748 31.823 -0.091 0.000 0.816 290 V HN 1.024 nan 8.190 nan 0.000 0.451 291 T N -2.125 112.397 114.554 -0.053 0.000 2.944 291 T HA 0.466 4.820 4.350 0.007 0.000 0.284 291 T C -0.648 174.034 174.700 -0.030 0.000 1.010 291 T CA -0.541 61.510 62.100 -0.082 0.000 1.025 291 T CB 2.074 70.864 68.868 -0.130 0.000 1.079 291 T HN 0.135 nan 8.240 nan 0.000 0.516 292 D N 0.848 121.234 120.400 -0.024 0.000 2.280 292 D HA 0.225 4.870 4.640 0.007 0.000 0.243 292 D C 1.237 177.531 176.300 -0.010 0.000 1.129 292 D CA -0.393 53.603 54.000 -0.008 0.000 0.848 292 D CB 1.167 41.971 40.800 0.006 0.000 1.107 292 D HN 0.364 nan 8.370 nan 0.000 0.471 293 Q N 2.824 122.619 119.800 -0.007 0.000 2.061 293 Q HA -0.127 4.217 4.340 0.007 0.000 0.204 293 Q C 1.748 177.755 176.000 0.012 0.000 0.984 293 Q CA 0.928 56.729 55.803 -0.003 0.000 0.846 293 Q CB -0.554 28.184 28.738 -0.001 0.000 0.902 293 Q HN 0.649 nan 8.270 nan 0.000 0.421 294 L N 0.629 121.867 121.223 0.024 0.000 1.990 294 L HA -0.190 4.154 4.340 0.007 0.000 0.213 294 L C 2.169 179.073 176.870 0.058 0.000 1.072 294 L CA 2.723 57.590 54.840 0.045 0.000 0.755 294 L CB -0.960 41.132 42.059 0.055 0.000 0.889 294 L HN 0.475 nan 8.230 nan 0.000 0.432 295 T N -4.753 109.843 114.554 0.069 0.000 3.022 295 T HA 0.327 4.681 4.350 0.007 0.000 0.250 295 T C 1.497 176.226 174.700 0.048 0.000 1.060 295 T CA 0.430 62.588 62.100 0.096 0.000 1.013 295 T CB 0.112 69.092 68.868 0.186 0.000 0.982 295 T HN 0.662 nan 8.240 nan 0.000 0.508 296 G N 1.530 110.334 108.800 0.008 0.000 2.189 296 G HA2 -0.245 3.719 3.960 0.007 0.000 0.267 296 G HA3 -0.245 3.719 3.960 0.007 0.000 0.267 296 G C 0.086 174.932 174.900 -0.089 0.000 0.975 296 G CA 0.540 45.614 45.100 -0.044 0.000 0.644 296 G HN 0.647 nan 8.290 nan 0.000 0.537 297 L N 0.466 121.669 121.223 -0.033 0.000 2.479 297 L HA 0.399 4.743 4.340 0.007 0.000 0.248 297 L C 1.414 178.209 176.870 -0.126 0.000 1.205 297 L CA -1.203 53.604 54.840 -0.054 0.000 0.817 297 L CB 0.158 42.284 42.059 0.112 0.000 1.162 297 L HN 0.127 nan 8.230 nan 0.000 0.486 298 H N 0.780 119.854 119.070 0.006 0.000 2.771 298 H HA 0.042 4.602 4.556 0.007 0.000 0.364 298 H C -0.404 174.957 175.328 0.056 0.000 1.133 298 H CA -0.262 55.776 56.048 -0.016 0.000 1.423 298 H CB 0.440 30.200 29.762 -0.005 0.000 1.425 298 H HN 0.515 nan 8.280 nan 0.000 0.606 299 N N 0.632 119.449 118.700 0.195 0.000 2.447 299 N HA 0.055 4.800 4.740 0.007 0.000 0.271 299 N C 1.126 176.738 175.510 0.170 0.000 1.226 299 N CA -0.726 52.405 53.050 0.135 0.000 0.980 299 N CB 1.029 39.563 38.487 0.079 0.000 1.206 299 N HN 0.513 nan 8.380 nan 0.000 0.558 300 R N -0.282 120.281 120.500 0.104 0.000 2.081 300 R HA -0.095 4.249 4.340 0.007 0.000 0.235 300 R C 2.133 178.498 176.300 0.109 0.000 1.131 300 R CA 1.285 57.452 56.100 0.112 0.000 0.960 300 R CB -0.177 30.123 30.300 0.001 0.000 0.856 300 R HN 0.722 nan 8.270 nan 0.000 0.436 301 R N -0.683 119.868 120.500 0.085 0.000 2.097 301 R HA -0.260 4.085 4.340 0.007 0.000 0.236 301 R C 2.199 178.556 176.300 0.095 0.000 1.135 301 R CA 2.204 58.348 56.100 0.072 0.000 0.934 301 R CB -0.722 29.616 30.300 0.065 0.000 0.846 301 R HN 0.394 nan 8.270 nan 0.000 0.431 302 Y N 0.741 121.058 120.300 0.028 0.000 2.181 302 Y HA -0.256 4.298 4.550 0.008 0.000 0.288 302 Y C 2.443 178.334 175.900 -0.015 0.000 1.146 302 Y CA 2.160 60.264 58.100 0.007 0.000 1.164 302 Y CB -0.200 38.275 38.460 0.025 0.000 0.982 302 Y HN 0.129 nan 8.280 nan 0.000 0.515 303 M N 0.170 119.852 119.600 0.137 0.000 2.108 303 M HA -0.196 4.289 4.480 0.007 0.000 0.261 303 M C 2.156 178.432 176.300 -0.039 0.000 1.066 303 M CA 2.577 57.903 55.300 0.043 0.000 1.107 303 M CB -1.008 31.677 32.600 0.141 0.000 1.356 303 M HN 0.535 nan 8.290 nan 0.000 0.406 304 T N -2.212 112.343 114.554 0.000 0.000 2.777 304 T HA -0.028 4.326 4.350 0.007 0.000 0.266 304 T C 1.997 176.656 174.700 -0.069 0.000 1.040 304 T CA 1.465 63.561 62.100 -0.007 0.000 1.141 304 T CB -1.452 67.435 68.868 0.030 0.000 0.868 304 T HN 0.482 nan 8.240 nan 0.000 0.444 305 G N 1.012 109.742 108.800 -0.117 0.000 2.469 305 G HA2 -0.224 3.740 3.960 0.007 0.000 0.219 305 G HA3 -0.224 3.740 3.960 0.007 0.000 0.219 305 G C 1.787 176.568 174.900 -0.199 0.000 1.150 305 G CA 0.737 45.743 45.100 -0.157 0.000 0.763 305 G HN 0.468 nan 8.290 nan 0.000 0.561 306 Q N -0.543 119.083 119.800 -0.290 0.000 2.083 306 Q HA 0.053 4.398 4.340 0.007 0.000 0.198 306 Q C 2.611 178.530 176.000 -0.135 0.000 0.969 306 Q CA 0.564 56.216 55.803 -0.252 0.000 0.838 306 Q CB -0.511 28.027 28.738 -0.335 0.000 0.900 306 Q HN 0.442 nan 8.270 nan 0.000 0.436 307 L N 1.792 122.953 121.223 -0.103 0.000 2.127 307 L HA -0.188 4.156 4.340 0.007 0.000 0.211 307 L C 1.298 178.138 176.870 -0.050 0.000 1.089 307 L CA 1.840 56.645 54.840 -0.059 0.000 0.757 307 L CB -0.546 41.492 42.059 -0.035 0.000 0.899 307 L HN 0.054 nan 8.230 nan 0.000 0.434 308 D N -1.175 119.191 120.400 -0.056 0.000 2.084 308 D HA -0.134 4.510 4.640 0.007 0.000 0.194 308 D C 2.301 178.575 176.300 -0.043 0.000 0.990 308 D CA 1.627 55.601 54.000 -0.043 0.000 0.826 308 D CB -0.147 40.628 40.800 -0.042 0.000 0.971 308 D HN 0.299 nan 8.370 nan 0.000 0.453 309 S N 0.007 115.674 115.700 -0.056 0.000 2.382 309 S HA -0.063 4.412 4.470 0.007 0.000 0.228 309 S C 2.142 176.719 174.600 -0.039 0.000 1.027 309 S CA 0.488 58.659 58.200 -0.047 0.000 0.991 309 S CB -0.204 62.962 63.200 -0.057 0.000 0.823 309 S HN 0.217 nan 8.310 nan 0.000 0.469 310 L N 0.867 122.064 121.223 -0.044 0.000 2.027 310 L HA -0.057 4.287 4.340 0.007 0.000 0.206 310 L C 2.380 179.234 176.870 -0.026 0.000 1.074 310 L CA 0.919 55.739 54.840 -0.034 0.000 0.745 310 L CB -0.587 41.451 42.059 -0.035 0.000 0.898 310 L HN 0.196 nan 8.230 nan 0.000 0.433 311 V N 0.002 119.900 119.914 -0.026 0.000 2.427 311 V HA -0.285 3.840 4.120 0.007 0.000 0.248 311 V C 2.534 178.617 176.094 -0.017 0.000 1.051 311 V CA 1.740 64.028 62.300 -0.020 0.000 1.048 311 V CB -0.423 31.389 31.823 -0.019 0.000 0.666 311 V HN 0.421 nan 8.190 nan 0.000 0.456 312 K N 0.522 120.911 120.400 -0.019 0.000 2.002 312 K HA -0.247 4.077 4.320 0.007 0.000 0.209 312 K C 2.375 178.966 176.600 -0.015 0.000 1.048 312 K CA 1.965 58.243 56.287 -0.016 0.000 0.930 312 K CB -0.260 32.229 32.500 -0.018 0.000 0.714 312 K HN 0.292 nan 8.250 nan 0.000 0.438 313 R N 0.072 120.562 120.500 -0.016 0.000 2.127 313 R HA -0.142 4.202 4.340 0.007 0.000 0.238 313 R C 1.994 178.287 176.300 -0.012 0.000 1.134 313 R CA 1.398 57.490 56.100 -0.014 0.000 0.975 313 R CB -0.286 30.005 30.300 -0.015 0.000 0.865 313 R HN 0.332 nan 8.270 nan 0.000 0.447 314 A N 0.046 122.859 122.820 -0.013 0.000 1.898 314 A HA -0.151 4.174 4.320 0.007 0.000 0.216 314 A C 2.213 179.792 177.584 -0.009 0.000 1.181 314 A CA 1.887 53.917 52.037 -0.011 0.000 0.620 314 A CB -0.930 18.063 19.000 -0.012 0.000 0.819 314 A HN 0.631 nan 8.150 nan 0.000 0.442 315 T N -1.834 112.714 114.554 -0.010 0.000 2.904 315 T HA 0.059 4.413 4.350 0.007 0.000 0.267 315 T C 1.357 176.053 174.700 -0.007 0.000 1.059 315 T CA 1.119 63.214 62.100 -0.008 0.000 1.137 315 T CB -0.440 68.423 68.868 -0.008 0.000 0.879 315 T HN 0.252 nan 8.240 nan 0.000 0.467 316 L N 1.596 122.815 121.223 -0.008 0.000 2.682 316 L HA 0.374 4.719 4.340 0.007 0.000 0.240 316 L C 1.147 178.013 176.870 -0.006 0.000 1.178 316 L CA -0.011 54.825 54.840 -0.007 0.000 0.970 316 L CB -1.121 40.933 42.059 -0.007 0.000 1.179 316 L HN 0.649 nan 8.230 nan 0.000 0.435 317 G N -0.380 108.416 108.800 -0.006 0.000 3.295 317 G HA2 0.221 4.185 3.960 0.007 0.000 0.686 317 G HA3 0.221 4.185 3.960 0.007 0.000 0.686 317 G C -0.089 174.807 174.900 -0.006 0.000 0.958 317 G CA -0.502 44.595 45.100 -0.006 0.000 0.787 317 G HN 0.703 nan 8.290 nan 0.000 0.523 318 G N 1.651 110.448 108.800 -0.006 0.000 2.359 318 G HA2 0.481 4.446 3.960 0.007 0.000 0.303 318 G HA3 0.481 4.446 3.960 0.007 0.000 0.303 318 G C -0.808 174.087 174.900 -0.007 0.000 1.293 318 G CA 0.039 45.135 45.100 -0.007 0.000 0.964 318 G HN 1.049 nan 8.290 nan 0.000 0.531 319 D N 2.590 122.985 120.400 -0.008 0.000 2.434 319 D HA 0.363 5.007 4.640 0.007 0.000 0.252 319 D C -1.451 174.844 176.300 -0.008 0.000 1.185 319 D CA -0.028 53.967 54.000 -0.007 0.000 0.886 319 D CB 0.998 41.794 40.800 -0.008 0.000 1.148 319 D HN 0.295 nan 8.370 nan 0.000 0.483 320 P HA 0.056 nan 4.420 nan 0.000 0.272 320 P C -0.566 176.728 177.300 -0.009 0.000 1.223 320 P CA -0.341 62.754 63.100 -0.008 0.000 0.784 320 P CB 0.834 32.530 31.700 -0.007 0.000 0.923 321 V N 1.142 121.050 119.914 -0.010 0.000 2.604 321 V HA 0.429 4.554 4.120 0.007 0.000 0.305 321 V C 0.297 176.385 176.094 -0.011 0.000 1.043 321 V CA -0.448 61.845 62.300 -0.012 0.000 0.888 321 V CB 1.823 33.636 31.823 -0.015 0.000 0.995 321 V HN 0.542 nan 8.190 nan 0.000 0.429 322 S N 1.801 117.495 115.700 -0.010 0.000 2.621 322 S HA 0.920 5.395 4.470 0.007 0.000 0.302 322 S C -0.275 174.316 174.600 -0.014 0.000 1.093 322 S CA -0.404 57.790 58.200 -0.011 0.000 1.017 322 S CB 1.904 65.100 63.200 -0.007 0.000 1.077 322 S HN 1.190 nan 8.310 nan 0.000 0.517 323 A N 1.710 124.519 122.820 -0.019 0.000 2.398 323 A HA 0.756 5.080 4.320 0.007 0.000 0.301 323 A C -1.732 175.836 177.584 -0.026 0.000 1.041 323 A CA -0.504 51.516 52.037 -0.029 0.000 0.711 323 A CB 0.644 19.614 19.000 -0.050 0.000 1.240 323 A HN 0.531 nan 8.150 nan 0.000 0.420 324 L N 2.044 123.255 121.223 -0.019 0.000 2.307 324 L HA 0.609 4.954 4.340 0.007 0.000 0.284 324 L C -0.653 176.204 176.870 -0.021 0.000 1.023 324 L CA -0.454 54.383 54.840 -0.005 0.000 0.810 324 L CB 1.466 43.539 42.059 0.024 0.000 1.231 324 L HN 0.649 nan 8.230 nan 0.000 0.423 325 L N 5.571 126.780 121.223 -0.024 0.000 2.319 325 L HA 0.610 4.955 4.340 0.007 0.000 0.281 325 L C -0.837 176.049 176.870 0.027 0.000 1.005 325 L CA -0.046 54.769 54.840 -0.042 0.000 0.828 325 L CB 0.960 42.962 42.059 -0.095 0.000 1.227 325 L HN 0.409 nan 8.230 nan 0.000 0.415 326 I N 4.568 125.192 120.570 0.090 0.000 2.378 326 I HA 0.399 4.574 4.170 0.007 0.000 0.291 326 I C -0.756 175.420 176.117 0.099 0.000 0.992 326 I CA -0.502 60.869 61.300 0.118 0.000 1.154 326 I CB 1.863 39.996 38.000 0.222 0.000 1.315 326 I HN 0.538 nan 8.210 nan 0.000 0.448 327 D N 7.919 128.329 120.400 0.016 0.000 2.629 327 D HA 0.379 5.023 4.640 0.007 0.000 0.250 327 D C -0.576 175.661 176.300 -0.105 0.000 1.126 327 D CA -0.461 53.521 54.000 -0.029 0.000 0.852 327 D CB 1.927 42.712 40.800 -0.025 0.000 1.335 327 D HN 0.355 nan 8.370 nan 0.000 0.518 328 I N 2.934 123.407 120.570 -0.162 0.000 2.556 328 I HA 0.012 4.186 4.170 0.007 0.000 0.284 328 I C 0.440 176.501 176.117 -0.092 0.000 1.114 328 I CA -0.277 60.908 61.300 -0.192 0.000 1.418 328 I CB 0.656 38.494 38.000 -0.270 0.000 1.394 328 I HN 0.207 nan 8.210 nan 0.000 0.552 329 D N 6.949 127.287 120.400 -0.102 0.000 2.350 329 D HA 0.137 4.781 4.640 0.007 0.000 0.249 329 D C 0.242 176.537 176.300 -0.009 0.000 1.119 329 D CA 0.026 53.906 54.000 -0.200 0.000 0.886 329 D CB 0.719 41.373 40.800 -0.243 0.000 1.195 329 D HN 0.351 nan 8.370 nan 0.000 0.437 330 F N 0.392 120.369 119.950 0.044 0.000 3.093 330 F HA -0.260 4.272 4.527 0.007 0.000 0.287 330 F C 1.173 177.008 175.800 0.058 0.000 0.882 330 F CA -0.228 57.795 58.000 0.038 0.000 1.063 330 F CB -2.416 36.590 39.000 0.011 0.000 1.097 330 F HN 0.394 nan 8.300 nan 0.000 0.604 331 F N 0.415 120.409 119.950 0.073 0.000 2.451 331 F HA -0.075 4.457 4.527 0.007 0.000 0.299 331 F C 1.939 177.758 175.800 0.033 0.000 1.101 331 F CA 1.639 59.655 58.000 0.027 0.000 1.436 331 F CB -0.143 38.841 39.000 -0.028 0.000 1.074 331 F HN 0.054 nan 8.300 nan 0.000 0.553 332 K N 0.229 120.642 120.400 0.023 0.000 2.021 332 K HA -0.103 4.221 4.320 0.007 0.000 0.205 332 K C 1.958 178.515 176.600 -0.072 0.000 1.047 332 K CA 1.260 57.517 56.287 -0.050 0.000 0.943 332 K CB -0.260 32.267 32.500 0.045 0.000 0.725 332 K HN 0.148 nan 8.250 nan 0.000 0.439 333 K N 1.084 121.484 120.400 0.001 0.000 2.127 333 K HA -0.178 4.146 4.320 0.007 0.000 0.208 333 K C 2.097 178.668 176.600 -0.049 0.000 1.047 333 K CA 1.478 57.748 56.287 -0.029 0.000 0.927 333 K CB -0.325 32.158 32.500 -0.027 0.000 0.716 333 K HN 0.129 nan 8.250 nan 0.000 0.450 334 I N 1.218 121.756 120.570 -0.055 0.000 2.090 334 I HA -0.311 3.863 4.170 0.007 0.000 0.236 334 I C 1.996 178.095 176.117 -0.031 0.000 1.064 334 I CA 1.161 62.468 61.300 0.011 0.000 1.324 334 I CB -0.363 37.511 38.000 -0.209 0.000 1.044 334 I HN 0.181 nan 8.210 nan 0.000 0.399 335 N N 0.857 119.397 118.700 -0.267 0.000 2.205 335 N HA -0.197 4.548 4.740 0.007 0.000 0.186 335 N C 1.398 176.941 175.510 0.055 0.000 1.015 335 N CA 1.587 54.552 53.050 -0.142 0.000 0.862 335 N CB -0.429 37.834 38.487 -0.373 0.000 0.986 335 N HN 0.391 nan 8.380 nan 0.000 0.429 336 D N -1.177 119.214 120.400 -0.015 0.000 2.103 336 D HA -0.023 4.622 4.640 0.007 0.000 0.199 336 D C 1.758 178.004 176.300 -0.091 0.000 0.978 336 D CA 1.274 55.262 54.000 -0.020 0.000 0.829 336 D CB -0.096 40.681 40.800 -0.039 0.000 0.981 336 D HN 0.187 nan 8.370 nan 0.000 0.464 337 T N -0.503 113.938 114.554 -0.188 0.000 2.732 337 T HA -0.039 4.316 4.350 0.007 0.000 0.261 337 T C 1.224 175.650 174.700 -0.456 0.000 1.040 337 T CA 0.836 62.678 62.100 -0.431 0.000 1.145 337 T CB -0.260 68.151 68.868 -0.762 0.000 0.866 337 T HN 0.091 nan 8.240 nan 0.000 0.427 338 F N 1.060 120.985 119.950 -0.042 0.000 2.695 338 F HA 0.487 5.018 4.527 0.007 0.000 0.303 338 F C 1.516 177.313 175.800 -0.005 0.000 1.091 338 F CA -0.054 57.929 58.000 -0.027 0.000 1.300 338 F CB -0.059 38.921 39.000 -0.034 0.000 1.071 338 F HN 0.359 nan 8.300 nan 0.000 0.578 339 G N -0.084 108.810 108.800 0.156 0.000 2.690 339 G HA2 -0.220 3.744 3.960 0.007 0.000 0.686 339 G HA3 -0.220 3.744 3.960 0.007 0.000 0.686 339 G C -0.176 174.861 174.900 0.229 0.000 1.277 339 G CA -0.669 44.522 45.100 0.150 0.000 0.799 339 G HN 0.218 nan 8.290 nan 0.000 0.613 340 H N 0.197 119.278 119.070 0.018 0.000 2.524 340 H HA 0.053 4.614 4.556 0.007 0.000 0.282 340 H C 2.263 177.621 175.328 0.051 0.000 1.016 340 H CA 1.427 57.491 56.048 0.026 0.000 1.270 340 H CB 0.202 29.985 29.762 0.035 0.000 1.394 340 H HN 0.564 nan 8.280 nan 0.000 0.568 341 D N 0.098 120.601 120.400 0.172 0.000 2.117 341 D HA -0.086 4.558 4.640 0.007 0.000 0.198 341 D C 2.099 178.461 176.300 0.103 0.000 0.982 341 D CA 0.821 54.893 54.000 0.119 0.000 0.828 341 D CB 0.123 40.976 40.800 0.088 0.000 0.967 341 D HN 0.385 nan 8.370 nan 0.000 0.464 342 I N 1.249 121.876 120.570 0.095 0.000 2.500 342 I HA -0.085 4.089 4.170 0.007 0.000 0.252 342 I C 2.621 178.770 176.117 0.054 0.000 1.142 342 I CA 0.724 62.058 61.300 0.057 0.000 1.451 342 I CB -0.314 37.702 38.000 0.026 0.000 1.093 342 I HN -0.030 nan 8.210 nan 0.000 0.430 343 G N 0.693 109.522 108.800 0.047 0.000 2.440 343 G HA2 -0.288 3.677 3.960 0.007 0.000 0.218 343 G HA3 -0.288 3.677 3.960 0.007 0.000 0.218 343 G C 1.228 176.277 174.900 0.249 0.000 1.154 343 G CA 1.074 46.204 45.100 0.050 0.000 0.767 343 G HN 0.266 nan 8.290 nan 0.000 0.552 344 D N 0.110 120.622 120.400 0.187 0.000 2.178 344 D HA -0.044 4.600 4.640 0.007 0.000 0.201 344 D C 2.463 178.867 176.300 0.172 0.000 0.980 344 D CA 0.615 54.724 54.000 0.182 0.000 0.842 344 D CB -0.027 40.854 40.800 0.136 0.000 0.948 344 D HN 0.182 nan 8.370 nan 0.000 0.472 345 E N 0.078 120.366 120.200 0.145 0.000 2.107 345 E HA -0.061 4.293 4.350 0.007 0.000 0.191 345 E C 2.360 179.072 176.600 0.187 0.000 0.982 345 E CA 0.152 56.634 56.400 0.137 0.000 0.809 345 E CB -0.200 29.559 29.700 0.097 0.000 0.756 345 E HN 0.118 nan 8.360 nan 0.000 0.459 346 V N 1.463 121.489 119.914 0.187 0.000 2.332 346 V HA -0.263 3.861 4.120 0.007 0.000 0.248 346 V C 2.503 178.779 176.094 0.303 0.000 1.055 346 V CA 1.495 63.922 62.300 0.212 0.000 1.038 346 V CB -0.488 31.424 31.823 0.148 0.000 0.651 346 V HN 0.218 nan 8.190 nan 0.000 0.450 347 L N -1.061 120.337 121.223 0.293 0.000 2.156 347 L HA -0.107 4.238 4.340 0.007 0.000 0.208 347 L C 2.685 179.748 176.870 0.323 0.000 1.095 347 L CA 1.337 56.364 54.840 0.312 0.000 0.770 347 L CB -0.468 41.745 42.059 0.257 0.000 0.914 347 L HN 0.194 nan 8.230 nan 0.000 0.439 348 R N -0.078 120.566 120.500 0.240 0.000 2.073 348 R HA -0.165 4.179 4.340 0.007 0.000 0.229 348 R C 2.263 178.644 176.300 0.135 0.000 1.120 348 R CA 1.385 57.586 56.100 0.168 0.000 0.967 348 R CB -0.024 30.351 30.300 0.126 0.000 0.862 348 R HN 0.320 nan 8.270 nan 0.000 0.436 349 E N 0.018 120.326 120.200 0.181 0.000 2.031 349 E HA -0.237 4.117 4.350 0.007 0.000 0.193 349 E C 1.702 178.342 176.600 0.066 0.000 0.994 349 E CA 1.361 57.826 56.400 0.107 0.000 0.800 349 E CB -0.240 29.573 29.700 0.188 0.000 0.752 349 E HN 0.285 nan 8.360 nan 0.000 0.447 350 F N 1.141 121.193 119.950 0.171 0.000 2.120 350 F HA -0.228 4.303 4.527 0.007 0.000 0.300 350 F C 2.061 177.757 175.800 -0.174 0.000 1.095 350 F CA 1.775 59.813 58.000 0.063 0.000 1.249 350 F CB -0.460 38.591 39.000 0.084 0.000 0.995 350 F HN 0.148 nan 8.300 nan 0.000 0.480 351 A N 0.609 123.312 122.820 -0.195 0.000 1.908 351 A HA -0.186 4.139 4.320 0.007 0.000 0.218 351 A C 2.196 179.612 177.584 -0.279 0.000 1.181 351 A CA 2.070 53.944 52.037 -0.271 0.000 0.627 351 A CB -1.191 17.837 19.000 0.047 0.000 0.818 351 A HN 0.526 nan 8.150 nan 0.000 0.445 352 L N -1.301 119.800 121.223 -0.202 0.000 2.109 352 L HA -0.095 4.250 4.340 0.007 0.000 0.207 352 L C 2.791 179.512 176.870 -0.249 0.000 1.086 352 L CA 1.018 55.750 54.840 -0.179 0.000 0.760 352 L CB -0.370 41.614 42.059 -0.125 0.000 0.910 352 L HN 0.298 nan 8.230 nan 0.000 0.437 353 R N -0.417 119.865 120.500 -0.363 0.000 2.096 353 R HA -0.177 4.168 4.340 0.007 0.000 0.235 353 R C 2.197 178.290 176.300 -0.345 0.000 1.127 353 R CA 1.319 57.178 56.100 -0.401 0.000 0.968 353 R CB -0.531 29.430 30.300 -0.564 0.000 0.861 353 R HN 0.208 nan 8.270 nan 0.000 0.440 354 L N 0.721 121.631 121.223 -0.521 0.000 1.988 354 L HA -0.075 4.269 4.340 0.007 0.000 0.207 354 L C 2.333 179.077 176.870 -0.211 0.000 1.071 354 L CA 2.063 56.642 54.840 -0.435 0.000 0.744 354 L CB -0.837 40.817 42.059 -0.674 0.000 0.893 354 L HN 0.109 nan 8.230 nan 0.000 0.433 355 A N -0.876 121.831 122.820 -0.189 0.000 1.948 355 A HA -0.267 4.058 4.320 0.007 0.000 0.220 355 A C 2.385 179.927 177.584 -0.070 0.000 1.177 355 A CA 2.441 54.420 52.037 -0.097 0.000 0.636 355 A CB -1.183 17.767 19.000 -0.083 0.000 0.815 355 A HN 0.689 nan 8.150 nan 0.000 0.449 356 S N -1.197 114.455 115.700 -0.080 0.000 2.558 356 S HA 0.058 4.532 4.470 0.007 0.000 0.217 356 S C 0.935 175.520 174.600 -0.024 0.000 0.975 356 S CA 0.443 58.615 58.200 -0.048 0.000 0.912 356 S CB -0.266 62.904 63.200 -0.050 0.000 0.776 356 S HN 0.562 nan 8.310 nan 0.000 0.526 357 N N 1.781 120.470 118.700 -0.018 0.000 2.321 357 N HA 0.237 4.982 4.740 0.007 0.000 0.242 357 N C -0.442 175.049 175.510 -0.032 0.000 1.141 357 N CA 0.217 53.259 53.050 -0.014 0.000 0.864 357 N CB 1.491 40.010 38.487 0.053 0.000 1.100 357 N HN 0.493 nan 8.380 nan 0.000 0.510 358 V N -2.486 117.411 119.914 -0.029 0.000 3.012 358 V HA 0.511 4.635 4.120 0.007 0.000 0.307 358 V C -0.117 175.968 176.094 -0.014 0.000 1.166 358 V CA -1.339 60.948 62.300 -0.020 0.000 0.974 358 V CB 2.039 33.854 31.823 -0.015 0.000 1.040 358 V HN -0.087 nan 8.190 nan 0.000 0.428 359 R N 1.796 122.290 120.500 -0.009 0.000 2.738 359 R HA 0.559 4.904 4.340 0.007 0.000 0.268 359 R C 1.448 177.750 176.300 0.004 0.000 1.062 359 R CA 0.207 56.303 56.100 -0.005 0.000 1.158 359 R CB 0.728 31.025 30.300 -0.005 0.000 1.046 359 R HN 1.034 nan 8.270 nan 0.000 0.493 360 A N 1.880 124.704 122.820 0.006 0.000 2.014 360 A HA -0.114 4.210 4.320 0.007 0.000 0.218 360 A C 1.858 179.457 177.584 0.025 0.000 1.163 360 A CA 0.856 52.902 52.037 0.016 0.000 0.652 360 A CB -0.265 18.742 19.000 0.012 0.000 0.808 360 A HN 0.635 nan 8.150 nan 0.000 0.449 361 I N 0.438 121.019 120.570 0.018 0.000 2.614 361 I HA -0.067 4.108 4.170 0.007 0.000 0.258 361 I C 0.002 176.133 176.117 0.023 0.000 1.189 361 I CA 0.012 61.323 61.300 0.019 0.000 1.462 361 I CB -0.464 37.543 38.000 0.011 0.000 1.092 361 I HN 0.183 nan 8.210 nan 0.000 0.442 362 D N 0.391 120.805 120.400 0.023 0.000 2.360 362 D HA 0.182 4.826 4.640 0.007 0.000 0.242 362 D C -0.323 176.006 176.300 0.049 0.000 1.184 362 D CA -0.030 53.986 54.000 0.027 0.000 0.930 362 D CB 1.140 41.952 40.800 0.020 0.000 1.161 362 D HN -0.073 nan 8.370 nan 0.000 0.447 363 L N 2.469 123.726 121.223 0.058 0.000 2.454 363 L HA 0.340 4.684 4.340 0.007 0.000 0.258 363 L C -2.699 174.241 176.870 0.116 0.000 1.025 363 L CA -1.684 53.213 54.840 0.094 0.000 0.901 363 L CB 1.650 43.752 42.059 0.072 0.000 1.210 363 L HN 0.054 nan 8.230 nan 0.000 0.457 364 P HA 0.471 nan 4.420 nan 0.000 0.288 364 P C -1.044 176.388 177.300 0.219 0.000 1.267 364 P CA -0.370 62.819 63.100 0.149 0.000 0.815 364 P CB 1.391 33.149 31.700 0.097 0.000 0.989 365 C N 1.624 121.077 119.300 0.255 0.000 3.241 365 C HA 0.749 5.213 4.460 0.007 0.000 0.312 365 C C -0.327 174.825 174.990 0.271 0.000 1.350 365 C CA -1.150 58.028 59.018 0.267 0.000 1.415 365 C CB 1.404 29.291 27.740 0.245 0.000 1.770 365 C HN 0.548 nan 8.230 nan 0.000 0.466 366 R N 1.239 121.815 120.500 0.127 0.000 2.242 366 R HA 0.363 4.707 4.340 0.007 0.000 0.334 366 R C -0.067 176.197 176.300 -0.060 0.000 1.071 366 R CA -0.130 55.870 56.100 -0.167 0.000 0.922 366 R CB -0.273 29.943 30.300 -0.139 0.000 1.023 366 R HN 0.871 nan 8.270 nan 0.000 0.458 367 Y N 3.042 123.191 120.300 -0.252 0.000 2.266 367 Y HA 0.430 4.985 4.550 0.007 0.000 0.294 367 Y C 0.734 176.547 175.900 -0.145 0.000 1.127 367 Y CA 1.319 59.342 58.100 -0.129 0.000 1.140 367 Y CB 0.347 38.760 38.460 -0.079 0.000 1.071 367 Y HN 0.597 nan 8.280 nan 0.000 0.525 368 G N -1.855 106.823 108.800 -0.204 0.000 2.921 368 G HA2 0.398 4.363 3.960 0.007 0.000 0.291 368 G HA3 0.398 4.363 3.960 0.007 0.000 0.291 368 G C 0.706 175.458 174.900 -0.247 0.000 1.370 368 G CA -0.345 44.601 45.100 -0.257 0.000 0.847 368 G HN 0.361 nan 8.290 nan 0.000 0.532 369 G N 0.236 108.924 108.800 -0.187 0.000 2.681 369 G HA2 -0.227 3.737 3.960 0.007 0.000 0.220 369 G HA3 -0.227 3.737 3.960 0.007 0.000 0.220 369 G C 1.062 175.793 174.900 -0.283 0.000 1.210 369 G CA 1.745 46.742 45.100 -0.173 0.000 0.783 369 G HN 0.894 nan 8.290 nan 0.000 0.609 370 E N -0.020 120.005 120.200 -0.291 0.000 2.651 370 E HA 0.387 4.742 4.350 0.007 0.000 0.208 370 E C -0.280 176.179 176.600 -0.235 0.000 0.997 370 E CA -0.263 55.883 56.400 -0.423 0.000 1.020 370 E CB 0.316 29.752 29.700 -0.439 0.000 1.052 370 E HN 0.459 nan 8.360 nan 0.000 0.465 371 E N 0.421 120.484 120.200 -0.227 0.000 2.238 371 E HA 0.535 4.889 4.350 0.007 0.000 0.267 371 E C -1.419 175.070 176.600 -0.184 0.000 0.887 371 E CA -0.712 55.661 56.400 -0.044 0.000 0.769 371 E CB 1.699 31.467 29.700 0.114 0.000 1.187 371 E HN 0.070 nan 8.360 nan 0.000 0.416 372 F N 0.715 120.728 119.950 0.105 0.000 2.588 372 F HA 0.576 5.107 4.527 0.007 0.000 0.314 372 F C -0.605 175.236 175.800 0.068 0.000 1.069 372 F CA -1.010 57.078 58.000 0.147 0.000 0.931 372 F CB 1.692 40.831 39.000 0.232 0.000 1.260 372 F HN 0.129 nan 8.300 nan 0.000 0.465 373 V N 2.737 122.785 119.914 0.223 0.000 2.656 373 V HA 0.601 4.726 4.120 0.007 0.000 0.307 373 V C -1.000 175.155 176.094 0.101 0.000 1.051 373 V CA -0.833 61.494 62.300 0.045 0.000 0.893 373 V CB 2.202 33.937 31.823 -0.147 0.000 0.999 373 V HN 0.502 nan 8.190 nan 0.000 0.426 374 V N 5.339 125.289 119.914 0.060 0.000 2.448 374 V HA 0.524 4.649 4.120 0.007 0.000 0.295 374 V C -0.456 175.651 176.094 0.022 0.000 1.025 374 V CA -0.631 61.703 62.300 0.055 0.000 0.859 374 V CB 1.844 33.697 31.823 0.051 0.000 0.988 374 V HN 0.571 nan 8.190 nan 0.000 0.431 375 I N 5.494 126.080 120.570 0.026 0.000 2.321 375 I HA 0.460 4.634 4.170 0.007 0.000 0.291 375 I C -0.084 176.039 176.117 0.010 0.000 0.998 375 I CA -0.458 60.847 61.300 0.009 0.000 1.227 375 I CB 1.334 39.338 38.000 0.006 0.000 1.368 375 I HN 0.579 nan 8.210 nan 0.000 0.466 376 M N 8.515 128.116 119.600 0.002 0.000 2.027 376 M HA 0.336 4.821 4.480 0.007 0.000 0.329 376 M C -2.396 173.902 176.300 -0.003 0.000 0.971 376 M CA -1.595 53.706 55.300 0.002 0.000 0.933 376 M CB 1.440 34.040 32.600 0.001 0.000 1.392 376 M HN 0.202 nan 8.290 nan 0.000 0.394 377 P HA 0.002 nan 4.420 nan 0.000 0.270 377 P C -0.069 177.228 177.300 -0.005 0.000 1.223 377 P CA 0.230 63.326 63.100 -0.006 0.000 0.785 377 P CB 0.418 32.114 31.700 -0.005 0.000 0.923 378 D N -1.103 119.293 120.400 -0.006 0.000 2.701 378 D HA -0.148 4.497 4.640 0.007 0.000 0.235 378 D C -1.041 175.256 176.300 -0.005 0.000 1.155 378 D CA 1.222 55.219 54.000 -0.006 0.000 0.649 378 D CB -1.554 39.243 40.800 -0.005 0.000 1.050 378 D HN 0.285 nan 8.370 nan 0.000 0.425 379 T N -0.135 114.416 114.554 -0.005 0.000 2.937 379 T HA 0.746 5.100 4.350 0.007 0.000 0.297 379 T C 0.109 174.806 174.700 -0.005 0.000 0.991 379 T CA -0.103 61.995 62.100 -0.005 0.000 0.990 379 T CB 1.714 70.579 68.868 -0.004 0.000 0.991 379 T HN 0.309 nan 8.240 nan 0.000 0.440 380 A N 1.967 124.784 122.820 -0.004 0.000 2.239 380 A HA 0.736 5.060 4.320 0.007 0.000 0.303 380 A C 1.418 179.000 177.584 -0.003 0.000 1.114 380 A CA -0.533 51.502 52.037 -0.004 0.000 0.871 380 A CB 0.120 19.117 19.000 -0.004 0.000 1.201 380 A HN 0.795 nan 8.150 nan 0.000 0.506 381 L N -0.125 121.096 121.223 -0.003 0.000 2.083 381 L HA -0.053 4.291 4.340 0.007 0.000 0.209 381 L C 2.547 179.416 176.870 -0.001 0.000 1.083 381 L CA 2.807 57.646 54.840 -0.002 0.000 0.752 381 L CB -0.933 41.125 42.059 -0.001 0.000 0.899 381 L HN 0.754 nan 8.230 nan 0.000 0.433 382 A N -0.700 122.119 122.820 -0.001 0.000 1.858 382 A HA -0.229 4.095 4.320 0.007 0.000 0.216 382 A C 2.023 179.606 177.584 -0.001 0.000 1.190 382 A CA 1.903 53.940 52.037 -0.001 0.000 0.617 382 A CB -0.941 18.059 19.000 -0.001 0.000 0.827 382 A HN 0.502 nan 8.150 nan 0.000 0.443 383 D N 0.084 120.482 120.400 -0.003 0.000 2.149 383 D HA -0.101 4.543 4.640 0.007 0.000 0.198 383 D C 2.160 178.458 176.300 -0.003 0.000 0.990 383 D CA 1.568 55.566 54.000 -0.004 0.000 0.839 383 D CB -0.425 40.372 40.800 -0.005 0.000 0.948 383 D HN 0.442 nan 8.370 nan 0.000 0.460 384 A N 0.318 123.137 122.820 -0.001 0.000 1.930 384 A HA -0.088 4.236 4.320 0.007 0.000 0.217 384 A C 2.342 179.928 177.584 0.003 0.000 1.175 384 A CA 0.762 52.800 52.037 0.001 0.000 0.627 384 A CB -0.640 18.359 19.000 -0.000 0.000 0.815 384 A HN 0.215 nan 8.150 nan 0.000 0.443 385 L N -1.548 119.677 121.223 0.003 0.000 2.217 385 L HA -0.060 4.284 4.340 0.007 0.000 0.211 385 L C 2.707 179.580 176.870 0.005 0.000 1.107 385 L CA 1.172 56.015 54.840 0.005 0.000 0.783 385 L CB -0.263 41.799 42.059 0.005 0.000 0.919 385 L HN 0.369 nan 8.230 nan 0.000 0.442 386 R N 0.276 120.777 120.500 0.002 0.000 2.062 386 R HA -0.030 4.315 4.340 0.007 0.000 0.226 386 R C 2.306 178.605 176.300 -0.003 0.000 1.125 386 R CA 1.012 57.111 56.100 -0.001 0.000 0.966 386 R CB -0.095 30.202 30.300 -0.005 0.000 0.861 386 R HN 0.196 nan 8.270 nan 0.000 0.433 387 I N 0.582 121.151 120.570 -0.003 0.000 2.208 387 I HA -0.301 3.873 4.170 0.007 0.000 0.245 387 I C 2.431 178.553 176.117 0.008 0.000 1.097 387 I CA 1.450 62.749 61.300 -0.003 0.000 1.363 387 I CB -0.328 37.671 38.000 -0.001 0.000 1.051 387 I HN 0.284 nan 8.210 nan 0.000 0.413 388 A N 0.277 123.106 122.820 0.015 0.000 1.873 388 A HA -0.245 4.079 4.320 0.007 0.000 0.215 388 A C 2.228 179.833 177.584 0.034 0.000 1.186 388 A CA 1.915 53.969 52.037 0.028 0.000 0.616 388 A CB -0.535 18.480 19.000 0.026 0.000 0.823 388 A HN 0.397 nan 8.150 nan 0.000 0.442 389 E N 0.147 120.361 120.200 0.023 0.000 2.110 389 E HA -0.200 4.155 4.350 0.007 0.000 0.193 389 E C 2.111 178.726 176.600 0.026 0.000 0.988 389 E CA 1.550 57.965 56.400 0.025 0.000 0.804 389 E CB -0.270 29.439 29.700 0.015 0.000 0.745 389 E HN 0.562 nan 8.360 nan 0.000 0.458 390 R N 0.057 120.563 120.500 0.009 0.000 2.080 390 R HA -0.133 4.211 4.340 0.007 0.000 0.236 390 R C 2.414 178.727 176.300 0.021 0.000 1.137 390 R CA 2.003 58.095 56.100 -0.012 0.000 0.943 390 R CB -0.478 29.797 30.300 -0.041 0.000 0.846 390 R HN 0.282 nan 8.270 nan 0.000 0.431 391 I N 0.331 120.930 120.570 0.048 0.000 2.208 391 I HA -0.309 3.865 4.170 0.007 0.000 0.245 391 I C 2.851 179.066 176.117 0.163 0.000 1.097 391 I CA 1.314 62.682 61.300 0.113 0.000 1.363 391 I CB -0.391 37.661 38.000 0.087 0.000 1.051 391 I HN 0.294 nan 8.210 nan 0.000 0.413 392 R N 0.874 121.447 120.500 0.121 0.000 2.083 392 R HA -0.187 4.157 4.340 0.007 0.000 0.237 392 R C 2.351 178.733 176.300 0.137 0.000 1.137 392 R CA 1.735 57.908 56.100 0.123 0.000 0.951 392 R CB -0.160 30.189 30.300 0.080 0.000 0.851 392 R HN 0.306 nan 8.270 nan 0.000 0.434 393 M N -1.302 118.369 119.600 0.119 0.000 2.254 393 M HA -0.157 4.327 4.480 0.007 0.000 0.265 393 M C 2.047 178.454 176.300 0.178 0.000 1.066 393 M CA 1.283 56.652 55.300 0.115 0.000 1.123 393 M CB -0.405 32.237 32.600 0.070 0.000 1.388 393 M HN 0.381 nan 8.290 nan 0.000 0.425 394 H N -0.384 118.708 119.070 0.037 0.000 2.352 394 H HA -0.166 4.394 4.556 0.007 0.000 0.299 394 H C 2.116 177.480 175.328 0.060 0.000 1.097 394 H CA 1.784 57.846 56.048 0.024 0.000 1.311 394 H CB 0.337 30.096 29.762 -0.005 0.000 1.377 394 H HN 0.347 nan 8.280 nan 0.000 0.504 395 V N -0.945 119.067 119.914 0.162 0.000 2.535 395 V HA -0.096 4.028 4.120 0.007 0.000 0.246 395 V C 2.250 178.493 176.094 0.249 0.000 1.045 395 V CA 1.635 64.073 62.300 0.229 0.000 1.058 395 V CB -0.233 31.828 31.823 0.398 0.000 0.689 395 V HN 0.445 nan 8.190 nan 0.000 0.461 396 S N 0.358 116.166 115.700 0.179 0.000 2.562 396 S HA 0.217 4.691 4.470 0.007 0.000 0.221 396 S C 1.848 176.521 174.600 0.122 0.000 0.975 396 S CA 0.755 59.040 58.200 0.142 0.000 0.918 396 S CB -0.099 63.166 63.200 0.107 0.000 0.772 396 S HN 0.782 nan 8.310 nan 0.000 0.531 397 G N 1.340 110.214 108.800 0.123 0.000 2.459 397 G HA2 0.245 4.209 3.960 0.007 0.000 0.213 397 G HA3 0.245 4.209 3.960 0.007 0.000 0.213 397 G C 0.488 175.439 174.900 0.084 0.000 1.155 397 G CA 0.461 45.622 45.100 0.101 0.000 0.811 397 G HN 0.787 nan 8.290 nan 0.000 0.534 398 S N 1.051 116.797 115.700 0.077 0.000 2.557 398 S HA 0.677 5.151 4.470 0.007 0.000 0.291 398 S C -2.903 171.746 174.600 0.081 0.000 1.116 398 S CA -1.375 56.857 58.200 0.053 0.000 0.992 398 S CB 3.025 66.231 63.200 0.010 0.000 1.028 398 S HN 0.039 nan 8.310 nan 0.000 0.484 399 P HA 0.218 nan 4.420 nan 0.000 0.271 399 P C -0.781 176.656 177.300 0.228 0.000 1.244 399 P CA -0.371 62.850 63.100 0.201 0.000 0.793 399 P CB 0.256 32.041 31.700 0.141 0.000 0.984 400 F N -0.481 119.472 119.950 0.005 0.000 2.412 400 F HA 0.063 4.594 4.527 0.007 0.000 0.348 400 F C 2.162 177.966 175.800 0.007 0.000 1.102 400 F CA -0.239 57.761 58.000 -0.000 0.000 1.196 400 F CB 0.516 39.519 39.000 0.004 0.000 1.144 400 F HN 0.248 nan 8.300 nan 0.000 0.541 401 T N 1.706 116.315 114.554 0.092 0.000 2.792 401 T HA -0.184 4.171 4.350 0.007 0.000 0.268 401 T C 1.837 176.602 174.700 0.109 0.000 1.059 401 T CA 1.444 63.579 62.100 0.058 0.000 1.136 401 T CB -0.211 68.648 68.868 -0.015 0.000 0.846 401 T HN 0.436 nan 8.240 nan 0.000 0.489 402 V N 0.498 120.497 119.914 0.142 0.000 2.951 402 V HA 0.179 4.304 4.120 0.007 0.000 0.255 402 V C 2.444 178.553 176.094 0.025 0.000 1.088 402 V CA 1.034 63.385 62.300 0.084 0.000 1.109 402 V CB -0.762 31.107 31.823 0.078 0.000 0.724 402 V HN 0.470 nan 8.190 nan 0.000 0.471 403 A N -0.853 122.001 122.820 0.056 0.000 2.275 403 A HA 0.021 4.346 4.320 0.007 0.000 0.212 403 A C 1.945 179.547 177.584 0.030 0.000 1.201 403 A CA 0.399 52.422 52.037 -0.024 0.000 0.843 403 A CB -0.842 18.151 19.000 -0.012 0.000 0.873 403 A HN 0.686 nan 8.150 nan 0.000 0.492 404 H N 0.441 119.509 119.070 -0.002 0.000 2.253 404 H HA -0.159 4.401 4.556 0.007 0.000 0.296 404 H C 1.901 177.230 175.328 0.002 0.000 1.067 404 H CA 2.102 58.154 56.048 0.007 0.000 1.245 404 H CB -0.365 29.402 29.762 0.009 0.000 1.364 404 H HN 0.358 nan 8.280 nan 0.000 0.494 405 G N 0.070 108.694 108.800 -0.292 0.000 2.920 405 G HA2 0.000 3.965 3.960 0.007 0.000 0.208 405 G HA3 0.000 3.965 3.960 0.007 0.000 0.208 405 G C 0.503 175.332 174.900 -0.118 0.000 1.159 405 G CA -0.384 44.540 45.100 -0.293 0.000 0.784 405 G HN 0.277 nan 8.290 nan 0.000 0.535 406 R N 0.841 121.290 120.500 -0.084 0.000 2.278 406 R HA 0.259 4.603 4.340 0.007 0.000 0.322 406 R C 0.167 176.456 176.300 -0.018 0.000 1.058 406 R CA -0.218 55.864 56.100 -0.030 0.000 0.991 406 R CB 0.909 31.131 30.300 -0.131 0.000 1.140 406 R HN 0.234 nan 8.270 nan 0.000 0.518 407 E N 2.778 122.982 120.200 0.006 0.000 2.428 407 E HA -0.089 4.265 4.350 0.007 0.000 0.199 407 E C 0.705 177.335 176.600 0.050 0.000 1.172 407 E CA 0.476 56.882 56.400 0.011 0.000 0.941 407 E CB 0.264 29.965 29.700 0.002 0.000 1.001 407 E HN 0.504 nan 8.360 nan 0.000 0.501 408 M N -0.388 119.278 119.600 0.110 0.000 2.571 408 M HA 0.156 4.640 4.480 0.007 0.000 0.259 408 M C 0.766 177.161 176.300 0.158 0.000 1.205 408 M CA 0.216 55.632 55.300 0.194 0.000 1.138 408 M CB 0.254 33.120 32.600 0.442 0.000 1.329 408 M HN 0.089 nan 8.290 nan 0.000 0.503 409 L N 1.729 122.972 121.223 0.034 0.000 2.436 409 L HA 0.148 4.492 4.340 0.007 0.000 0.265 409 L C -0.236 176.623 176.870 -0.019 0.000 1.168 409 L CA 0.071 54.880 54.840 -0.052 0.000 0.815 409 L CB 0.431 42.347 42.059 -0.238 0.000 1.109 409 L HN 0.202 nan 8.230 nan 0.000 0.462 410 N N 1.268 119.954 118.700 -0.024 0.000 2.976 410 N HA 0.135 4.880 4.740 0.007 0.000 0.220 410 N C -1.344 174.157 175.510 -0.015 0.000 1.428 410 N CA -0.220 52.831 53.050 0.002 0.000 0.748 410 N CB 1.319 39.822 38.487 0.027 0.000 1.484 410 N HN 0.083 nan 8.380 nan 0.000 0.578 411 V N 1.752 121.603 119.914 -0.106 0.000 2.405 411 V HA 0.367 4.491 4.120 0.007 0.000 0.264 411 V C 0.861 176.927 176.094 -0.047 0.000 1.048 411 V CA -0.039 62.147 62.300 -0.190 0.000 0.966 411 V CB 0.270 31.689 31.823 -0.672 0.000 1.015 411 V HN 0.603 nan 8.190 nan 0.000 0.477 412 T N 3.667 118.221 114.554 -0.001 0.000 2.932 412 T HA 0.860 5.214 4.350 0.007 0.000 0.289 412 T C -0.476 174.212 174.700 -0.019 0.000 1.039 412 T CA -0.788 61.330 62.100 0.030 0.000 1.024 412 T CB 2.210 71.111 68.868 0.054 0.000 1.090 412 T HN 0.567 nan 8.240 nan 0.000 0.496 413 I N -1.538 119.030 120.570 -0.003 0.000 2.846 413 I HA 0.817 4.991 4.170 0.007 0.000 0.307 413 I C -0.765 175.336 176.117 -0.027 0.000 1.053 413 I CA -1.084 60.191 61.300 -0.043 0.000 1.050 413 I CB 2.438 40.423 38.000 -0.026 0.000 1.239 413 I HN 0.536 nan 8.210 nan 0.000 0.439 414 S N 4.174 119.846 115.700 -0.046 0.000 2.473 414 S HA 0.701 5.175 4.470 0.007 0.000 0.307 414 S C -0.475 174.119 174.600 -0.009 0.000 1.094 414 S CA -0.535 57.642 58.200 -0.037 0.000 1.070 414 S CB 1.268 64.423 63.200 -0.076 0.000 1.019 414 S HN 0.431 nan 8.310 nan 0.000 0.480 415 I N 1.986 122.560 120.570 0.007 0.000 2.509 415 I HA 0.592 4.766 4.170 0.007 0.000 0.293 415 I C 0.401 176.527 176.117 0.015 0.000 1.020 415 I CA -0.804 60.510 61.300 0.022 0.000 1.088 415 I CB 2.206 40.229 38.000 0.039 0.000 1.267 415 I HN 0.700 nan 8.210 nan 0.000 0.430 416 G N 4.908 113.716 108.800 0.014 0.000 2.470 416 G HA2 0.647 4.612 3.960 0.007 0.000 0.320 416 G HA3 0.647 4.612 3.960 0.007 0.000 0.320 416 G C -1.021 173.881 174.900 0.003 0.000 1.245 416 G CA -0.352 44.754 45.100 0.011 0.000 0.935 416 G HN 0.323 nan 8.290 nan 0.000 0.476 417 V N 0.938 120.855 119.914 0.004 0.000 2.628 417 V HA 0.852 4.977 4.120 0.007 0.000 0.306 417 V C 0.160 176.252 176.094 -0.003 0.000 1.045 417 V CA -0.737 61.563 62.300 0.000 0.000 0.905 417 V CB 1.662 33.487 31.823 0.005 0.000 0.997 417 V HN 0.809 nan 8.190 nan 0.000 0.436 418 S N 1.304 116.999 115.700 -0.009 0.000 2.596 418 S HA 0.917 5.392 4.470 0.007 0.000 0.270 418 S C -1.186 173.408 174.600 -0.011 0.000 1.155 418 S CA 0.164 58.358 58.200 -0.010 0.000 0.827 418 S CB 1.950 65.141 63.200 -0.015 0.000 1.130 418 S HN 1.474 nan 8.310 nan 0.000 0.467 419 A N 1.572 124.387 122.820 -0.009 0.000 2.549 419 A HA 0.760 5.084 4.320 0.007 0.000 0.297 419 A C -0.046 177.533 177.584 -0.009 0.000 1.061 419 A CA -0.449 51.582 52.037 -0.009 0.000 0.690 419 A CB 0.914 19.910 19.000 -0.006 0.000 1.287 419 A HN 1.162 nan 8.150 nan 0.000 0.402 420 T N -0.564 113.984 114.554 -0.010 0.000 2.855 420 T HA 0.435 4.790 4.350 0.007 0.000 0.322 420 T C 0.559 175.255 174.700 -0.007 0.000 1.088 420 T CA 0.401 62.496 62.100 -0.009 0.000 1.104 420 T CB 0.892 69.754 68.868 -0.010 0.000 0.996 420 T HN 1.921 nan 8.240 nan 0.000 0.549 421 A N 1.298 124.114 122.820 -0.006 0.000 2.959 421 A HA 0.735 5.059 4.320 0.007 0.000 0.280 421 A C 1.108 178.689 177.584 -0.005 0.000 0.953 421 A CA -0.010 52.024 52.037 -0.005 0.000 1.047 421 A CB -0.696 18.301 19.000 -0.004 0.000 1.147 421 A HN 2.061 nan 8.150 nan 0.000 0.489 422 G N 0.043 108.840 108.800 -0.006 0.000 2.692 422 G HA2 -0.217 3.747 3.960 0.007 0.000 0.248 422 G HA3 -0.217 3.747 3.960 0.007 0.000 0.248 422 G C -0.042 174.854 174.900 -0.006 0.000 1.340 422 G CA 0.065 45.161 45.100 -0.005 0.000 0.896 422 G HN 0.809 nan 8.290 nan 0.000 0.570 423 E N 0.595 120.792 120.200 -0.005 0.000 2.437 423 E HA 0.345 4.700 4.350 0.007 0.000 0.263 423 E C 1.550 178.147 176.600 -0.005 0.000 1.030 423 E CA 1.569 57.966 56.400 -0.005 0.000 0.934 423 E CB -0.142 29.556 29.700 -0.005 0.000 0.943 423 E HN 2.157 nan 8.360 nan 0.000 0.444 424 G N 3.478 112.275 108.800 -0.005 0.000 2.254 424 G HA2 -0.233 3.732 3.960 0.007 0.000 0.225 424 G HA3 -0.233 3.732 3.960 0.007 0.000 0.225 424 G C 0.155 175.052 174.900 -0.005 0.000 1.003 424 G CA 0.145 45.242 45.100 -0.005 0.000 0.622 424 G HN 0.641 nan 8.290 nan 0.000 0.507 425 D N 1.293 121.690 120.400 -0.006 0.000 2.329 425 D HA 0.633 5.277 4.640 0.007 0.000 0.246 425 D C 0.789 177.085 176.300 -0.007 0.000 1.111 425 D CA 1.095 55.091 54.000 -0.006 0.000 0.941 425 D CB 1.252 42.048 40.800 -0.007 0.000 1.169 425 D HN 0.651 nan 8.370 nan 0.000 0.441 426 T N -1.375 113.176 114.554 -0.006 0.000 2.883 426 T HA 0.474 4.828 4.350 0.007 0.000 0.301 426 T C -2.304 172.393 174.700 -0.005 0.000 1.158 426 T CA -1.473 60.623 62.100 -0.006 0.000 1.007 426 T CB 1.792 70.658 68.868 -0.004 0.000 1.186 426 T HN 0.005 nan 8.240 nan 0.000 0.499 427 P HA -0.081 nan 4.420 nan 0.000 0.215 427 P C 1.392 178.695 177.300 0.005 0.000 1.153 427 P CA 1.153 64.251 63.100 -0.003 0.000 0.853 427 P CB 0.134 31.833 31.700 -0.002 0.000 0.788 428 E N -0.309 119.897 120.200 0.009 0.000 2.051 428 E HA -0.166 4.188 4.350 0.007 0.000 0.192 428 E C 2.098 178.704 176.600 0.010 0.000 0.991 428 E CA 1.440 57.850 56.400 0.016 0.000 0.799 428 E CB -0.673 29.035 29.700 0.013 0.000 0.748 428 E HN 0.181 nan 8.360 nan 0.000 0.449 429 A N 1.440 124.262 122.820 0.003 0.000 1.933 429 A HA -0.155 4.169 4.320 0.007 0.000 0.218 429 A C 2.203 179.785 177.584 -0.003 0.000 1.175 429 A CA 1.007 53.043 52.037 -0.000 0.000 0.628 429 A CB -0.490 18.508 19.000 -0.003 0.000 0.814 429 A HN 0.199 nan 8.150 nan 0.000 0.444 430 L N -0.336 120.883 121.223 -0.007 0.000 2.056 430 L HA -0.054 4.290 4.340 0.007 0.000 0.207 430 L C 2.228 179.085 176.870 -0.022 0.000 1.078 430 L CA 1.630 56.462 54.840 -0.014 0.000 0.749 430 L CB -0.381 41.668 42.059 -0.017 0.000 0.901 430 L HN 0.390 nan 8.230 nan 0.000 0.433 431 L N -0.781 120.429 121.223 -0.021 0.000 2.156 431 L HA -0.173 4.171 4.340 0.007 0.000 0.208 431 L C 2.546 179.411 176.870 -0.008 0.000 1.095 431 L CA 1.174 55.993 54.840 -0.036 0.000 0.770 431 L CB -0.504 41.547 42.059 -0.013 0.000 0.914 431 L HN 0.266 nan 8.230 nan 0.000 0.439 432 K N 0.265 120.670 120.400 0.007 0.000 2.097 432 K HA -0.156 4.168 4.320 0.007 0.000 0.205 432 K C 2.283 178.885 176.600 0.004 0.000 1.050 432 K CA 1.023 57.316 56.287 0.011 0.000 0.938 432 K CB 0.114 32.618 32.500 0.008 0.000 0.718 432 K HN 0.052 nan 8.250 nan 0.000 0.442 433 R N -0.239 120.261 120.500 -0.001 0.000 2.075 433 R HA -0.049 4.295 4.340 0.007 0.000 0.232 433 R C 2.158 178.460 176.300 0.004 0.000 1.126 433 R CA 1.432 57.533 56.100 0.001 0.000 0.963 433 R CB -0.226 30.073 30.300 -0.003 0.000 0.858 433 R HN 0.237 nan 8.270 nan 0.000 0.435 434 A N 0.716 123.531 122.820 -0.008 0.000 1.930 434 A HA -0.169 4.156 4.320 0.007 0.000 0.217 434 A C 1.512 179.100 177.584 0.008 0.000 1.175 434 A CA 1.736 53.767 52.037 -0.010 0.000 0.627 434 A CB -0.369 18.606 19.000 -0.041 0.000 0.815 434 A HN 0.201 nan 8.150 nan 0.000 0.443 435 D N -0.156 120.254 120.400 0.016 0.000 2.178 435 D HA -0.112 4.532 4.640 0.007 0.000 0.201 435 D C 1.935 178.279 176.300 0.073 0.000 0.980 435 D CA 1.019 55.047 54.000 0.047 0.000 0.842 435 D CB -0.196 40.634 40.800 0.050 0.000 0.948 435 D HN 0.554 nan 8.370 nan 0.000 0.472 436 E N 0.020 120.251 120.200 0.052 0.000 2.106 436 E HA -0.083 4.271 4.350 0.007 0.000 0.192 436 E C 2.157 178.821 176.600 0.106 0.000 0.984 436 E CA 0.873 57.317 56.400 0.075 0.000 0.806 436 E CB -0.184 29.536 29.700 0.034 0.000 0.750 436 E HN 0.285 nan 8.360 nan 0.000 0.458 437 G N 1.406 110.244 108.800 0.063 0.000 2.446 437 G HA2 -0.242 3.723 3.960 0.007 0.000 0.217 437 G HA3 -0.242 3.723 3.960 0.007 0.000 0.217 437 G C 1.815 176.745 174.900 0.050 0.000 1.168 437 G CA 0.850 45.980 45.100 0.049 0.000 0.771 437 G HN 0.133 nan 8.290 nan 0.000 0.551 438 V N -0.109 119.837 119.914 0.054 0.000 2.287 438 V HA -0.222 3.902 4.120 0.007 0.000 0.248 438 V C 2.297 178.416 176.094 0.042 0.000 1.053 438 V CA 1.933 64.256 62.300 0.038 0.000 1.027 438 V CB -0.693 31.158 31.823 0.046 0.000 0.646 438 V HN 0.495 nan 8.190 nan 0.000 0.447 439 Y N 0.574 120.867 120.300 -0.012 0.000 2.165 439 Y HA -0.307 4.247 4.550 0.007 0.000 0.286 439 Y C 2.708 178.599 175.900 -0.014 0.000 1.155 439 Y CA 2.374 60.466 58.100 -0.013 0.000 1.164 439 Y CB -0.174 38.283 38.460 -0.006 0.000 0.978 439 Y HN 0.260 nan 8.280 nan 0.000 0.513 440 Q N -0.605 119.222 119.800 0.044 0.000 2.123 440 Q HA -0.113 4.231 4.340 0.007 0.000 0.199 440 Q C 2.406 178.357 176.000 -0.083 0.000 0.966 440 Q CA 1.069 56.861 55.803 -0.017 0.000 0.845 440 Q CB -0.262 28.513 28.738 0.061 0.000 0.907 440 Q HN 0.600 nan 8.270 nan 0.000 0.439 441 A N 1.170 123.953 122.820 -0.061 0.000 1.908 441 A HA -0.215 4.110 4.320 0.007 0.000 0.218 441 A C 1.881 179.399 177.584 -0.110 0.000 1.181 441 A CA 1.570 53.569 52.037 -0.064 0.000 0.627 441 A CB -0.302 18.673 19.000 -0.041 0.000 0.818 441 A HN 0.240 nan 8.150 nan 0.000 0.445 442 K N -0.521 119.779 120.400 -0.167 0.000 2.155 442 K HA 0.033 4.357 4.320 0.007 0.000 0.203 442 K C 2.165 178.630 176.600 -0.225 0.000 1.052 442 K CA 0.952 57.111 56.287 -0.212 0.000 0.948 442 K CB -0.231 32.121 32.500 -0.246 0.000 0.728 442 K HN 0.438 nan 8.250 nan 0.000 0.448 443 A N 1.471 124.120 122.820 -0.284 0.000 2.066 443 A HA -0.106 4.219 4.320 0.007 0.000 0.218 443 A C 2.147 179.662 177.584 -0.115 0.000 1.157 443 A CA 1.551 53.450 52.037 -0.228 0.000 0.670 443 A CB -0.398 18.429 19.000 -0.288 0.000 0.804 443 A HN 0.354 nan 8.150 nan 0.000 0.453 444 S N -1.944 113.700 115.700 -0.094 0.000 2.402 444 S HA 0.293 4.767 4.470 0.007 0.000 0.229 444 S C 1.471 176.050 174.600 -0.035 0.000 1.021 444 S CA 1.636 59.807 58.200 -0.049 0.000 0.974 444 S CB -0.079 63.099 63.200 -0.036 0.000 0.800 444 S HN 1.442 nan 8.310 nan 0.000 0.484 445 G N 0.250 109.023 108.800 -0.045 0.000 4.003 445 G HA2 0.221 4.185 3.960 0.007 0.000 0.204 445 G HA3 0.221 4.185 3.960 0.007 0.000 0.204 445 G C 0.118 175.001 174.900 -0.028 0.000 1.077 445 G CA -0.205 44.885 45.100 -0.017 0.000 0.872 445 G HN 0.539 nan 8.290 nan 0.000 0.350 446 R N -1.792 118.678 120.500 -0.051 0.000 4.290 446 R HA 0.055 4.400 4.340 0.007 0.000 0.195 446 R C -0.253 176.028 176.300 -0.032 0.000 0.783 446 R CA 0.026 56.078 56.100 -0.081 0.000 0.685 446 R CB -1.052 29.162 30.300 -0.144 0.000 1.407 446 R HN 1.077 nan 8.270 nan 0.000 0.421 447 N N -0.523 118.158 118.700 -0.031 0.000 2.688 447 N HA -0.192 4.552 4.740 0.007 0.000 0.258 447 N C -1.854 173.662 175.510 0.009 0.000 1.016 447 N CA 1.430 54.483 53.050 0.004 0.000 0.747 447 N CB -0.488 38.017 38.487 0.030 0.000 0.895 447 N HN 0.827 nan 8.380 nan 0.000 0.543 448 A N -0.609 122.210 122.820 -0.001 0.000 2.594 448 A HA 0.723 5.047 4.320 0.007 0.000 0.295 448 A C -0.877 176.710 177.584 0.004 0.000 1.071 448 A CA -0.429 51.610 52.037 0.002 0.000 0.685 448 A CB 1.802 20.797 19.000 -0.008 0.000 1.285 448 A HN 0.298 nan 8.150 nan 0.000 0.405 449 V N 1.106 121.026 119.914 0.010 0.000 2.417 449 V HA 0.614 4.739 4.120 0.007 0.000 0.291 449 V C -0.619 175.480 176.094 0.009 0.000 1.024 449 V CA -0.473 61.834 62.300 0.012 0.000 0.861 449 V CB 1.407 33.241 31.823 0.018 0.000 0.985 449 V HN 0.697 nan 8.190 nan 0.000 0.436 450 V N 3.963 123.882 119.914 0.009 0.000 2.482 450 V HA 0.681 4.806 4.120 0.007 0.000 0.295 450 V C 0.628 176.729 176.094 0.012 0.000 1.026 450 V CA -0.319 61.987 62.300 0.010 0.000 0.856 450 V CB 1.810 33.639 31.823 0.010 0.000 1.001 450 V HN 0.956 nan 8.190 nan 0.000 0.424 451 G N 2.839 111.646 108.800 0.011 0.000 2.562 451 G HA2 0.633 4.597 3.960 0.007 0.000 0.275 451 G HA3 0.633 4.597 3.960 0.007 0.000 0.275 451 G C -0.681 174.226 174.900 0.012 0.000 1.196 451 G CA -0.388 44.718 45.100 0.010 0.000 0.908 451 G HN 0.628 nan 8.290 nan 0.000 0.524 452 K N -0.470 119.935 120.400 0.009 0.000 2.670 452 K HA 0.563 4.887 4.320 0.007 0.000 0.274 452 K C -0.291 176.312 176.600 0.005 0.000 1.068 452 K CA -0.208 56.085 56.287 0.010 0.000 0.967 452 K CB 0.832 33.341 32.500 0.014 0.000 1.297 452 K HN 0.784 nan 8.250 nan 0.000 0.477 453 A N 2.551 125.374 122.820 0.005 0.000 2.242 453 A HA 0.863 5.188 4.320 0.007 0.000 0.304 453 A C 0.196 177.781 177.584 0.002 0.000 1.100 453 A CA -0.130 51.908 52.037 0.002 0.000 0.860 453 A CB 0.353 19.354 19.000 0.002 0.000 1.168 453 A HN 0.942 nan 8.150 nan 0.000 0.503 454 A N 0.000 122.820 122.820 0.000 0.000 2.254 454 A HA 0.000 4.324 4.320 0.007 0.000 0.244 454 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 454 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 454 A HN 0.000 nan 8.150 nan 0.000 0.486