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 2v0n_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 REASGRRMGV IAGAAARLDG 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 KAAH 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 0.000 174.668 174.600 0.114 0.000 1.055 2 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 2 S CB 0.000 63.125 63.200 -0.125 0.000 0.593 3 A N 1.341 124.306 122.820 0.241 0.000 2.589 3 A HA 0.777 5.097 4.320 0.000 0.000 0.296 3 A C -1.289 176.448 177.584 0.255 0.000 1.062 3 A CA -0.675 51.532 52.037 0.283 0.000 0.686 3 A CB 1.169 20.393 19.000 0.373 0.000 1.282 3 A HN 0.193 nan 8.150 nan 0.000 0.404 4 R N 1.123 121.716 120.500 0.155 0.000 2.221 4 R HA 0.577 4.918 4.340 0.000 0.000 0.327 4 R C -0.945 175.403 176.300 0.080 0.000 1.033 4 R CA 0.055 56.223 56.100 0.113 0.000 0.887 4 R CB 0.734 31.084 30.300 0.083 0.000 1.057 4 R HN 0.616 nan 8.270 nan 0.000 0.455 5 I N 4.649 125.255 120.570 0.060 0.000 2.389 5 I HA 0.206 4.376 4.170 0.000 0.000 0.288 5 I C -0.802 175.318 176.117 0.005 0.000 0.999 5 I CA -1.143 60.161 61.300 0.007 0.000 1.129 5 I CB 1.771 39.741 38.000 -0.050 0.000 1.288 5 I HN 0.305 nan 8.210 nan 0.000 0.444 6 L N 8.411 129.630 121.223 -0.007 0.000 2.276 6 L HA 0.491 4.831 4.340 0.000 0.000 0.286 6 L C -0.627 176.227 176.870 -0.026 0.000 1.061 6 L CA -0.113 54.720 54.840 -0.011 0.000 0.807 6 L CB 1.396 43.448 42.059 -0.011 0.000 1.177 6 L HN 0.307 nan 8.230 nan 0.000 0.429 7 V N 6.023 125.922 119.914 -0.025 0.000 2.417 7 V HA 0.560 4.680 4.120 0.000 0.000 0.291 7 V C -0.544 175.528 176.094 -0.036 0.000 1.024 7 V CA -0.599 61.680 62.300 -0.036 0.000 0.861 7 V CB 1.868 33.671 31.823 -0.033 0.000 0.985 7 V HN 0.531 nan 8.190 nan 0.000 0.436 8 V N 4.269 124.155 119.914 -0.047 0.000 2.483 8 V HA 0.662 4.782 4.120 0.000 0.000 0.297 8 V C -0.684 175.375 176.094 -0.058 0.000 1.027 8 V CA -0.426 61.845 62.300 -0.047 0.000 0.855 8 V CB 1.740 33.534 31.823 -0.048 0.000 0.995 8 V HN 0.954 nan 8.190 nan 0.000 0.424 9 D N 2.645 123.014 120.400 -0.051 0.000 2.769 9 D HA 0.124 4.764 4.640 0.000 0.000 0.219 9 D C -0.347 175.925 176.300 -0.046 0.000 1.245 9 D CA -0.270 53.696 54.000 -0.057 0.000 0.801 9 D CB 2.786 43.550 40.800 -0.059 0.000 1.598 9 D HN 0.650 nan 8.370 nan 0.000 0.485 10 D N 1.952 122.323 120.400 -0.048 0.000 2.363 10 D HA 0.010 4.650 4.640 0.000 0.000 0.220 10 D C 0.842 177.122 176.300 -0.033 0.000 0.994 10 D CA 0.347 54.324 54.000 -0.038 0.000 0.890 10 D CB 0.640 41.417 40.800 -0.039 0.000 0.906 10 D HN 0.338 nan 8.370 nan 0.000 0.530 11 I N 1.340 121.889 120.570 -0.035 0.000 2.354 11 I HA 0.051 4.221 4.170 0.000 0.000 0.286 11 I C 1.491 177.592 176.117 -0.027 0.000 1.007 11 I CA -0.632 60.651 61.300 -0.029 0.000 1.167 11 I CB 2.193 40.174 38.000 -0.031 0.000 1.320 11 I HN -0.184 nan 8.210 nan 0.000 0.458 12 E N 5.163 125.350 120.200 -0.022 0.000 2.086 12 E HA -0.322 4.028 4.350 0.000 0.000 0.200 12 E C 2.025 178.614 176.600 -0.018 0.000 1.012 12 E CA 2.190 58.579 56.400 -0.018 0.000 0.812 12 E CB 0.248 29.939 29.700 -0.015 0.000 0.743 12 E HN 0.857 nan 8.360 nan 0.000 0.453 13 A N 1.394 124.203 122.820 -0.018 0.000 1.892 13 A HA -0.275 4.045 4.320 0.000 0.000 0.218 13 A C 1.926 179.497 177.584 -0.021 0.000 1.188 13 A CA 2.029 54.056 52.037 -0.017 0.000 0.631 13 A CB -0.763 18.227 19.000 -0.017 0.000 0.822 13 A HN 0.303 nan 8.150 nan 0.000 0.447 14 N N 0.007 118.690 118.700 -0.027 0.000 2.084 14 N HA -0.122 4.618 4.740 0.000 0.000 0.190 14 N C 1.703 177.194 175.510 -0.033 0.000 1.030 14 N CA 1.637 54.666 53.050 -0.035 0.000 0.849 14 N CB -0.760 37.701 38.487 -0.044 0.000 1.012 14 N HN 0.269 nan 8.380 nan 0.000 0.423 15 V N 2.118 122.015 119.914 -0.030 0.000 2.295 15 V HA -0.233 3.887 4.120 0.000 0.000 0.246 15 V C 2.364 178.448 176.094 -0.017 0.000 1.049 15 V CA 2.097 64.381 62.300 -0.026 0.000 1.024 15 V CB -0.490 31.319 31.823 -0.023 0.000 0.648 15 V HN 0.470 nan 8.190 nan 0.000 0.447 16 R N 0.132 120.623 120.500 -0.014 0.000 2.200 16 R HA -0.013 4.327 4.340 0.000 0.000 0.208 16 R C 2.140 178.438 176.300 -0.004 0.000 1.033 16 R CA 0.971 57.067 56.100 -0.007 0.000 1.000 16 R CB -0.575 29.721 30.300 -0.007 0.000 0.906 16 R HN 0.412 nan 8.270 nan 0.000 0.462 17 L N 1.273 122.491 121.223 -0.008 0.000 1.994 17 L HA -0.030 4.310 4.340 0.000 0.000 0.208 17 L C 2.065 178.936 176.870 0.002 0.000 1.071 17 L CA 1.566 56.404 54.840 -0.004 0.000 0.745 17 L CB -0.581 41.471 42.059 -0.011 0.000 0.892 17 L HN 0.306 nan 8.230 nan 0.000 0.431 18 L N -0.504 120.713 121.223 -0.011 0.000 2.042 18 L HA -0.260 4.080 4.340 0.000 0.000 0.210 18 L C 2.643 179.524 176.870 0.018 0.000 1.076 18 L CA 1.856 56.690 54.840 -0.011 0.000 0.749 18 L CB -0.352 41.685 42.059 -0.037 0.000 0.893 18 L HN 0.509 nan 8.230 nan 0.000 0.432 19 E N -0.280 119.927 120.200 0.012 0.000 2.070 19 E HA -0.291 4.059 4.350 0.000 0.000 0.197 19 E C 2.059 178.681 176.600 0.037 0.000 1.004 19 E CA 1.402 57.816 56.400 0.023 0.000 0.805 19 E CB -0.032 29.674 29.700 0.010 0.000 0.744 19 E HN 0.561 nan 8.360 nan 0.000 0.451 20 A N 1.025 123.863 122.820 0.029 0.000 1.930 20 A HA -0.184 4.136 4.320 0.000 0.000 0.217 20 A C 2.007 179.627 177.584 0.060 0.000 1.175 20 A CA 1.540 53.594 52.037 0.028 0.000 0.627 20 A CB -0.306 18.705 19.000 0.018 0.000 0.815 20 A HN 0.143 nan 8.150 nan 0.000 0.443 21 K N -0.434 120.026 120.400 0.099 0.000 2.057 21 K HA -0.067 4.253 4.320 0.000 0.000 0.207 21 K C 1.825 178.594 176.600 0.282 0.000 1.049 21 K CA 1.515 57.923 56.287 0.202 0.000 0.931 21 K CB -0.358 32.275 32.500 0.222 0.000 0.714 21 K HN 0.473 nan 8.250 nan 0.000 0.440 22 L N 0.511 121.880 121.223 0.244 0.000 2.095 22 L HA -0.122 4.218 4.340 0.000 0.000 0.204 22 L C 2.608 179.636 176.870 0.263 0.000 1.080 22 L CA 1.376 56.405 54.840 0.314 0.000 0.759 22 L CB -0.813 41.357 42.059 0.185 0.000 0.914 22 L HN 0.341 nan 8.230 nan 0.000 0.439 23 T N -2.482 112.143 114.554 0.118 0.000 2.915 23 T HA -0.055 4.295 4.350 0.000 0.000 0.269 23 T C 1.911 176.533 174.700 -0.131 0.000 1.071 23 T CA 0.800 62.904 62.100 0.005 0.000 1.132 23 T CB -0.289 68.560 68.868 -0.031 0.000 0.878 23 T HN 0.289 nan 8.240 nan 0.000 0.479 24 A N 1.825 124.602 122.820 -0.071 0.000 2.015 24 A HA -0.031 4.289 4.320 0.000 0.000 0.219 24 A C 2.146 179.670 177.584 -0.101 0.000 1.163 24 A CA 0.944 52.904 52.037 -0.128 0.000 0.646 24 A CB -0.296 18.684 19.000 -0.034 0.000 0.806 24 A HN 0.417 nan 8.150 nan 0.000 0.448 25 E N -1.317 118.869 120.200 -0.023 0.000 2.403 25 E HA 0.134 4.485 4.350 0.000 0.000 0.188 25 E C -0.902 175.727 176.600 0.049 0.000 1.056 25 E CA -0.318 56.084 56.400 0.004 0.000 0.892 25 E CB -0.462 29.148 29.700 -0.150 0.000 1.049 25 E HN 0.636 nan 8.360 nan 0.000 0.465 26 Y N -1.534 118.674 120.300 -0.154 0.000 3.790 26 Y HA -0.303 4.247 4.550 0.000 0.000 0.226 26 Y C -0.381 175.341 175.900 -0.296 0.000 1.257 26 Y CA 0.115 58.096 58.100 -0.198 0.000 1.765 26 Y CB -2.753 35.576 38.460 -0.219 0.000 1.552 26 Y HN 0.136 nan 8.280 nan 0.000 0.650 27 Y N -0.001 120.339 120.300 0.067 0.000 2.419 27 Y HA 0.411 4.961 4.550 0.000 0.000 0.328 27 Y C 0.702 176.623 175.900 0.036 0.000 1.162 27 Y CA -1.457 56.681 58.100 0.063 0.000 1.174 27 Y CB 0.990 39.494 38.460 0.074 0.000 1.228 27 Y HN 0.107 nan 8.280 nan 0.000 0.473 28 E N 1.890 122.216 120.200 0.210 0.000 2.044 28 E HA 0.426 4.776 4.350 0.000 0.000 0.282 28 E C -1.560 175.106 176.600 0.110 0.000 1.031 28 E CA -0.329 56.143 56.400 0.121 0.000 0.824 28 E CB 0.455 30.209 29.700 0.091 0.000 1.076 28 E HN 0.406 nan 8.360 nan 0.000 0.395 29 V N 3.905 123.868 119.914 0.081 0.000 2.472 29 V HA 0.419 4.539 4.120 0.000 0.000 0.290 29 V C 0.065 176.179 176.094 0.033 0.000 1.037 29 V CA -0.553 61.780 62.300 0.055 0.000 0.908 29 V CB 1.506 33.358 31.823 0.049 0.000 0.985 29 V HN 0.761 nan 8.190 nan 0.000 0.454 30 S N 2.225 117.939 115.700 0.023 0.000 2.634 30 S HA 0.920 5.390 4.470 0.000 0.000 0.296 30 S C -0.439 174.163 174.600 0.004 0.000 1.104 30 S CA -0.572 57.636 58.200 0.014 0.000 0.920 30 S CB 2.279 65.489 63.200 0.015 0.000 1.111 30 S HN 0.952 nan 8.310 nan 0.000 0.493 31 T N -1.979 112.575 114.554 -0.000 0.000 2.906 31 T HA 0.880 5.230 4.350 0.000 0.000 0.295 31 T C -0.576 174.119 174.700 -0.010 0.000 1.061 31 T CA -0.773 61.323 62.100 -0.008 0.000 1.000 31 T CB 1.396 70.259 68.868 -0.008 0.000 1.103 31 T HN 1.482 nan 8.240 nan 0.000 0.486 32 A N 1.750 124.561 122.820 -0.015 0.000 2.498 32 A HA 0.807 5.127 4.320 0.000 0.000 0.298 32 A C 0.106 177.677 177.584 -0.022 0.000 1.075 32 A CA -0.978 51.049 52.037 -0.016 0.000 0.714 32 A CB 1.941 20.931 19.000 -0.017 0.000 1.299 32 A HN 0.894 nan 8.150 nan 0.000 0.407 33 M N 0.669 120.257 119.600 -0.020 0.000 2.333 33 M HA 0.244 4.724 4.480 0.000 0.000 0.257 33 M C -0.603 175.681 176.300 -0.026 0.000 1.078 33 M CA 0.562 55.849 55.300 -0.023 0.000 1.005 33 M CB 0.041 32.630 32.600 -0.018 0.000 1.444 33 M HN 0.883 nan 8.290 nan 0.000 0.496 34 D N -3.972 116.413 120.400 -0.026 0.000 2.738 34 D HA 0.377 5.017 4.640 0.000 0.000 0.308 34 D C 0.744 177.029 176.300 -0.026 0.000 1.311 34 D CA -0.292 53.691 54.000 -0.027 0.000 0.799 34 D CB -0.264 40.523 40.800 -0.021 0.000 1.332 34 D HN -0.140 nan 8.370 nan 0.000 0.441 35 G N -0.501 108.284 108.800 -0.026 0.000 2.511 35 G HA2 -0.071 3.889 3.960 0.000 0.000 0.216 35 G HA3 -0.071 3.889 3.960 0.000 0.000 0.216 35 G C -0.940 173.952 174.900 -0.015 0.000 1.218 35 G CA 1.278 46.365 45.100 -0.022 0.000 0.788 35 G HN 0.498 nan 8.290 nan 0.000 0.560 36 P HA -0.124 nan 4.420 nan 0.000 0.215 36 P C 2.139 179.434 177.300 -0.007 0.000 1.163 36 P CA 2.289 65.384 63.100 -0.007 0.000 0.894 36 P CB -0.418 31.278 31.700 -0.006 0.000 0.791 37 T N -0.318 114.231 114.554 -0.009 0.000 2.635 37 T HA -0.226 4.124 4.350 0.000 0.000 0.267 37 T C 1.903 176.597 174.700 -0.009 0.000 1.040 37 T CA 1.968 64.063 62.100 -0.008 0.000 1.156 37 T CB -1.217 67.645 68.868 -0.010 0.000 0.863 37 T HN 0.084 nan 8.240 nan 0.000 0.430 38 A N 1.337 124.149 122.820 -0.013 0.000 1.903 38 A HA -0.116 4.205 4.320 0.000 0.000 0.219 38 A C 2.354 179.931 177.584 -0.013 0.000 1.191 38 A CA 1.683 53.711 52.037 -0.016 0.000 0.638 38 A CB -1.046 17.941 19.000 -0.022 0.000 0.823 38 A HN 0.510 nan 8.150 nan 0.000 0.451 39 L N -1.078 120.139 121.223 -0.011 0.000 2.093 39 L HA -0.153 4.187 4.340 0.000 0.000 0.208 39 L C 3.082 179.950 176.870 -0.004 0.000 1.085 39 L CA 0.886 55.721 54.840 -0.008 0.000 0.755 39 L CB -0.573 41.482 42.059 -0.006 0.000 0.904 39 L HN 0.451 nan 8.230 nan 0.000 0.435 40 A N 0.185 123.004 122.820 -0.002 0.000 1.877 40 A HA -0.226 4.094 4.320 0.000 0.000 0.216 40 A C 2.339 179.925 177.584 0.004 0.000 1.186 40 A CA 1.796 53.834 52.037 0.002 0.000 0.620 40 A CB -0.454 18.547 19.000 0.002 0.000 0.822 40 A HN 0.334 nan 8.150 nan 0.000 0.443 41 M N -0.590 119.011 119.600 0.001 0.000 2.117 41 M HA -0.124 4.356 4.480 0.000 0.000 0.262 41 M C 2.565 178.868 176.300 0.005 0.000 1.065 41 M CA 1.418 56.720 55.300 0.004 0.000 1.114 41 M CB -0.614 31.987 32.600 0.001 0.000 1.361 41 M HN 0.482 nan 8.290 nan 0.000 0.408 42 A N 0.766 123.585 122.820 -0.002 0.000 1.877 42 A HA -0.046 4.274 4.320 0.000 0.000 0.216 42 A C 2.435 180.022 177.584 0.005 0.000 1.186 42 A CA 2.025 54.058 52.037 -0.006 0.000 0.620 42 A CB -0.958 18.030 19.000 -0.021 0.000 0.822 42 A HN 0.491 nan 8.150 nan 0.000 0.443 43 A N -0.535 122.289 122.820 0.007 0.000 1.933 43 A HA -0.167 4.153 4.320 0.000 0.000 0.218 43 A C 2.274 179.874 177.584 0.027 0.000 1.175 43 A CA 1.825 53.872 52.037 0.018 0.000 0.628 43 A CB -0.449 18.560 19.000 0.014 0.000 0.814 43 A HN 0.571 nan 8.150 nan 0.000 0.444 44 R N -0.773 119.740 120.500 0.022 0.000 2.062 44 R HA -0.093 4.247 4.340 0.000 0.000 0.226 44 R C 0.794 177.113 176.300 0.031 0.000 1.125 44 R CA 1.681 57.796 56.100 0.025 0.000 0.966 44 R CB -0.097 30.214 30.300 0.019 0.000 0.861 44 R HN 0.407 nan 8.270 nan 0.000 0.433 45 D N 0.220 120.637 120.400 0.030 0.000 2.366 45 D HA 0.096 4.736 4.640 0.000 0.000 0.205 45 D C 0.238 176.567 176.300 0.047 0.000 1.022 45 D CA 0.145 54.166 54.000 0.035 0.000 0.868 45 D CB 0.284 41.101 40.800 0.028 0.000 0.953 45 D HN 0.193 nan 8.370 nan 0.000 0.514 46 L N 1.333 122.586 121.223 0.051 0.000 3.823 46 L HA -0.159 4.181 4.340 0.000 0.000 0.525 46 L C -2.072 174.842 176.870 0.075 0.000 1.247 46 L CA -0.459 54.427 54.840 0.076 0.000 0.776 46 L CB -1.596 40.537 42.059 0.123 0.000 1.443 46 L HN 0.062 nan 8.230 nan 0.000 0.831 47 P HA 0.051 nan 4.420 nan 0.000 0.272 47 P C 0.368 177.701 177.300 0.055 0.000 1.240 47 P CA -0.176 62.952 63.100 0.046 0.000 0.791 47 P CB 0.881 32.594 31.700 0.022 0.000 0.978 48 D N -0.164 120.277 120.400 0.069 0.000 2.194 48 D HA 0.096 4.736 4.640 0.000 0.000 0.204 48 D C 0.806 177.137 176.300 0.052 0.000 0.964 48 D CA 1.323 55.374 54.000 0.086 0.000 0.846 48 D CB 0.402 41.266 40.800 0.107 0.000 0.962 48 D HN 0.341 nan 8.370 nan 0.000 0.490 49 I N 0.507 121.090 120.570 0.021 0.000 2.827 49 I HA 0.310 4.480 4.170 0.000 0.000 0.298 49 I C -0.975 175.128 176.117 -0.024 0.000 1.235 49 I CA -0.737 60.560 61.300 -0.005 0.000 1.021 49 I CB 3.182 41.170 38.000 -0.019 0.000 1.259 49 I HN -0.317 nan 8.210 nan 0.000 0.427 50 I N 5.381 125.932 120.570 -0.033 0.000 2.418 50 I HA 0.339 4.509 4.170 0.000 0.000 0.287 50 I C -1.176 174.913 176.117 -0.047 0.000 1.008 50 I CA -0.761 60.516 61.300 -0.039 0.000 1.104 50 I CB 1.806 39.782 38.000 -0.039 0.000 1.264 50 I HN 0.167 nan 8.210 nan 0.000 0.438 51 L N 7.291 128.480 121.223 -0.056 0.000 2.282 51 L HA 0.524 4.864 4.340 0.000 0.000 0.288 51 L C -0.489 176.337 176.870 -0.073 0.000 1.033 51 L CA -0.165 54.633 54.840 -0.071 0.000 0.807 51 L CB 1.309 43.319 42.059 -0.083 0.000 1.209 51 L HN 0.455 nan 8.230 nan 0.000 0.423 52 L N 2.845 124.016 121.223 -0.087 0.000 2.439 52 L HA 0.401 4.741 4.340 0.000 0.000 0.270 52 L C -0.811 175.982 176.870 -0.128 0.000 0.972 52 L CA -0.673 54.112 54.840 -0.091 0.000 0.836 52 L CB 2.013 44.029 42.059 -0.073 0.000 1.255 52 L HN 0.535 nan 8.230 nan 0.000 0.404 53 D N 2.081 122.406 120.400 -0.125 0.000 2.368 53 D HA 0.126 4.766 4.640 0.000 0.000 0.240 53 D C 0.580 176.766 176.300 -0.190 0.000 1.169 53 D CA -0.072 53.838 54.000 -0.150 0.000 0.906 53 D CB 1.825 42.554 40.800 -0.118 0.000 1.187 53 D HN 0.244 nan 8.370 nan 0.000 0.435 54 V N 1.629 121.398 119.914 -0.243 0.000 2.521 54 V HA 0.067 4.187 4.120 0.000 0.000 0.239 54 V C 1.074 177.007 176.094 -0.268 0.000 1.053 54 V CA 0.669 62.753 62.300 -0.360 0.000 1.073 54 V CB -0.233 31.276 31.823 -0.523 0.000 0.746 54 V HN 0.564 nan 8.190 nan 0.000 0.476 55 M N 1.679 121.166 119.600 -0.187 0.000 2.193 55 M HA 0.425 4.905 4.480 0.000 0.000 0.342 55 M C -0.807 175.438 176.300 -0.092 0.000 1.413 55 M CA 1.115 56.341 55.300 -0.122 0.000 1.191 55 M CB 0.217 32.767 32.600 -0.083 0.000 1.633 55 M HN 0.270 nan 8.290 nan 0.000 0.458 56 M N 4.669 124.222 119.600 -0.079 0.000 2.484 56 M HA 0.490 4.970 4.480 0.000 0.000 0.289 56 M C -2.437 173.839 176.300 -0.041 0.000 1.206 56 M CA -1.825 53.440 55.300 -0.058 0.000 0.892 56 M CB 2.638 35.201 32.600 -0.063 0.000 1.712 56 M HN 0.296 nan 8.290 nan 0.000 0.462 57 P HA 0.274 nan 4.420 nan 0.000 0.271 57 P C 0.399 177.688 177.300 -0.019 0.000 1.220 57 P CA 0.717 63.805 63.100 -0.021 0.000 0.768 57 P CB 0.509 32.198 31.700 -0.018 0.000 0.848 58 G N 2.979 111.771 108.800 -0.013 0.000 2.525 58 G HA2 -0.291 3.669 3.960 0.000 0.000 0.248 58 G HA3 -0.291 3.669 3.960 0.000 0.000 0.248 58 G C -0.077 174.817 174.900 -0.011 0.000 1.238 58 G CA -0.090 45.004 45.100 -0.009 0.000 0.926 58 G HN 0.721 nan 8.290 nan 0.000 0.574 59 M N 2.134 121.729 119.600 -0.009 0.000 2.336 59 M HA 0.270 4.750 4.480 0.000 0.000 0.371 59 M C 0.783 177.069 176.300 -0.023 0.000 1.542 59 M CA 0.905 56.201 55.300 -0.007 0.000 0.959 59 M CB -0.177 32.419 32.600 -0.006 0.000 2.033 59 M HN 0.861 nan 8.290 nan 0.000 0.472 60 D N 3.517 123.903 120.400 -0.023 0.000 2.478 60 D HA 0.378 5.018 4.640 0.000 0.000 0.263 60 D C 1.002 177.247 176.300 -0.092 0.000 1.153 60 D CA -0.201 53.757 54.000 -0.070 0.000 1.038 60 D CB 0.524 41.275 40.800 -0.081 0.000 1.120 60 D HN 0.587 nan 8.370 nan 0.000 0.564 61 G N -0.930 107.744 108.800 -0.209 0.000 2.422 61 G HA2 -0.170 3.790 3.960 0.000 0.000 0.218 61 G HA3 -0.170 3.790 3.960 0.000 0.000 0.218 61 G C 1.079 175.918 174.900 -0.100 0.000 1.140 61 G CA 0.275 45.254 45.100 -0.202 0.000 0.775 61 G HN 0.375 nan 8.290 nan 0.000 0.545 62 F N 1.767 121.731 119.950 0.023 0.000 2.113 62 F HA -0.006 4.521 4.527 0.000 0.000 0.297 62 F C 2.998 178.805 175.800 0.011 0.000 1.103 62 F CA 1.385 59.401 58.000 0.026 0.000 1.248 62 F CB -1.177 37.841 39.000 0.030 0.000 0.999 62 F HN 0.024 nan 8.300 nan 0.000 0.475 63 T N 0.049 114.712 114.554 0.182 0.000 2.674 63 T HA -0.148 4.202 4.350 0.000 0.000 0.265 63 T C 2.346 177.081 174.700 0.058 0.000 1.039 63 T CA 1.560 63.719 62.100 0.097 0.000 1.150 63 T CB -0.827 68.080 68.868 0.064 0.000 0.864 63 T HN 0.026 nan 8.240 nan 0.000 0.427 64 V N 0.954 120.888 119.914 0.034 0.000 2.278 64 V HA -0.275 3.845 4.120 0.000 0.000 0.251 64 V C 2.865 178.971 176.094 0.020 0.000 1.062 64 V CA 1.867 64.174 62.300 0.012 0.000 1.038 64 V CB -0.876 30.941 31.823 -0.011 0.000 0.646 64 V HN 0.707 nan 8.190 nan 0.000 0.447 65 C N -0.113 119.213 119.300 0.043 0.000 2.413 65 C HA -0.173 4.287 4.460 0.000 0.000 0.276 65 C C 2.990 178.006 174.990 0.043 0.000 1.248 65 C CA 1.477 60.526 59.018 0.051 0.000 1.742 65 C CB -1.141 26.662 27.740 0.105 0.000 2.017 65 C HN 0.520 nan 8.230 nan 0.000 0.481 66 R N 0.174 120.707 120.500 0.056 0.000 2.096 66 R HA -0.108 4.232 4.340 0.000 0.000 0.235 66 R C 2.350 178.658 176.300 0.014 0.000 1.127 66 R CA 1.612 57.732 56.100 0.034 0.000 0.968 66 R CB -0.151 30.172 30.300 0.039 0.000 0.861 66 R HN 0.589 nan 8.270 nan 0.000 0.440 67 K N 0.317 120.726 120.400 0.014 0.000 2.057 67 K HA -0.076 4.245 4.320 0.000 0.000 0.206 67 K C 2.055 178.652 176.600 -0.006 0.000 1.050 67 K CA 1.019 57.309 56.287 0.004 0.000 0.935 67 K CB -0.112 32.392 32.500 0.006 0.000 0.715 67 K HN 0.079 nan 8.250 nan 0.000 0.439 68 L N 1.158 122.375 121.223 -0.010 0.000 2.043 68 L HA -0.246 4.094 4.340 0.000 0.000 0.212 68 L C 2.043 178.891 176.870 -0.037 0.000 1.075 68 L CA 1.217 56.040 54.840 -0.027 0.000 0.752 68 L CB -0.286 41.753 42.059 -0.034 0.000 0.891 68 L HN 0.076 nan 8.230 nan 0.000 0.432 69 K N -0.915 119.468 120.400 -0.028 0.000 2.418 69 K HA -0.070 4.250 4.320 0.000 0.000 0.195 69 K C 1.203 177.782 176.600 -0.035 0.000 1.035 69 K CA 0.720 56.984 56.287 -0.037 0.000 1.003 69 K CB -0.141 32.342 32.500 -0.028 0.000 0.793 69 K HN 0.189 nan 8.250 nan 0.000 0.494 70 D N 0.925 121.312 120.400 -0.022 0.000 2.354 70 D HA -0.063 4.577 4.640 0.000 0.000 0.209 70 D C -0.442 175.849 176.300 -0.015 0.000 1.015 70 D CA 0.178 54.167 54.000 -0.018 0.000 0.867 70 D CB 0.247 41.041 40.800 -0.010 0.000 0.933 70 D HN 0.053 nan 8.370 nan 0.000 0.520 71 D N -0.346 120.045 120.400 -0.014 0.000 2.232 71 D HA 0.133 4.773 4.640 0.000 0.000 0.242 71 D C -1.601 174.698 176.300 -0.003 0.000 1.093 71 D CA -2.069 51.928 54.000 -0.004 0.000 0.845 71 D CB 1.930 42.731 40.800 0.001 0.000 1.124 71 D HN -0.119 nan 8.370 nan 0.000 0.467 72 P HA -0.144 nan 4.420 nan 0.000 0.217 72 P C 1.047 178.390 177.300 0.071 0.000 1.150 72 P CA 1.146 64.259 63.100 0.022 0.000 0.832 72 P CB -0.012 31.707 31.700 0.032 0.000 0.787 73 T N -0.593 114.004 114.554 0.072 0.000 2.778 73 T HA -0.135 4.215 4.350 0.000 0.000 0.269 73 T C 1.707 176.495 174.700 0.148 0.000 1.050 73 T CA 2.378 64.543 62.100 0.109 0.000 1.137 73 T CB -1.090 67.821 68.868 0.071 0.000 0.860 73 T HN 0.387 nan 8.240 nan 0.000 0.468 74 T N -1.349 113.231 114.554 0.042 0.000 2.975 74 T HA 0.277 4.627 4.350 0.000 0.000 0.257 74 T C 1.653 176.249 174.700 -0.173 0.000 1.003 74 T CA -0.283 61.759 62.100 -0.096 0.000 0.932 74 T CB 0.009 68.833 68.868 -0.072 0.000 1.087 74 T HN 0.202 nan 8.240 nan 0.000 0.512 75 R N 1.453 121.910 120.500 -0.071 0.000 2.153 75 R HA -0.272 4.068 4.340 0.000 0.000 0.252 75 R C 2.247 178.478 176.300 -0.115 0.000 1.158 75 R CA 2.488 58.533 56.100 -0.092 0.000 0.975 75 R CB -0.490 29.751 30.300 -0.098 0.000 0.871 75 R HN 0.864 nan 8.270 nan 0.000 0.450 76 H N -1.691 117.321 119.070 -0.096 0.000 2.547 76 H HA 0.163 4.720 4.556 0.000 0.000 0.272 76 H C 0.331 175.659 175.328 0.001 0.000 0.989 76 H CA 0.172 56.182 56.048 -0.064 0.000 1.214 76 H CB -0.137 29.621 29.762 -0.008 0.000 1.389 76 H HN 0.126 nan 8.280 nan 0.000 0.577 77 I N 3.149 123.434 120.570 -0.475 0.000 2.396 77 I HA 0.174 4.344 4.170 0.000 0.000 0.289 77 I C -2.147 173.909 176.117 -0.102 0.000 1.056 77 I CA -2.340 58.787 61.300 -0.289 0.000 1.365 77 I CB 0.947 38.755 38.000 -0.320 0.000 1.407 77 I HN 0.062 nan 8.210 nan 0.000 0.509 78 P HA 0.057 nan 4.420 nan 0.000 0.267 78 P C -0.744 176.547 177.300 -0.014 0.000 1.209 78 P CA 0.001 63.101 63.100 -0.000 0.000 0.763 78 P CB 0.527 32.249 31.700 0.037 0.000 0.816 79 V N 5.160 125.069 119.914 -0.009 0.000 2.417 79 V HA 0.275 4.396 4.120 0.000 0.000 0.291 79 V C 0.127 176.224 176.094 0.006 0.000 1.024 79 V CA -0.595 61.700 62.300 -0.008 0.000 0.861 79 V CB 2.072 33.895 31.823 -0.001 0.000 0.985 79 V HN 0.205 nan 8.190 nan 0.000 0.436 80 V N 6.495 126.402 119.914 -0.013 0.000 2.357 80 V HA 0.421 4.541 4.120 0.000 0.000 0.284 80 V C -0.060 176.004 176.094 -0.051 0.000 1.018 80 V CA -0.511 61.778 62.300 -0.018 0.000 0.841 80 V CB 1.510 33.311 31.823 -0.038 0.000 0.991 80 V HN 0.639 nan 8.190 nan 0.000 0.437 81 L N 6.265 127.460 121.223 -0.047 0.000 2.331 81 L HA 0.521 4.861 4.340 0.000 0.000 0.278 81 L C -0.412 176.286 176.870 -0.287 0.000 1.106 81 L CA 0.032 54.787 54.840 -0.141 0.000 0.824 81 L CB 0.776 42.786 42.059 -0.081 0.000 1.142 81 L HN 0.490 nan 8.230 nan 0.000 0.443 82 I N 2.863 123.270 120.570 -0.271 0.000 2.439 82 I HA 0.417 4.587 4.170 0.000 0.000 0.285 82 I C -0.170 175.781 176.117 -0.276 0.000 1.021 82 I CA -0.119 61.015 61.300 -0.276 0.000 1.091 82 I CB 2.034 39.923 38.000 -0.185 0.000 1.242 82 I HN 0.545 nan 8.210 nan 0.000 0.439 83 T N 2.963 117.323 114.554 -0.323 0.000 2.853 83 T HA 0.577 4.927 4.350 0.000 0.000 0.311 83 T C 0.504 175.102 174.700 -0.170 0.000 1.307 83 T CA 0.109 62.056 62.100 -0.256 0.000 1.019 83 T CB 1.900 70.578 68.868 -0.317 0.000 1.264 83 T HN 0.569 nan 8.240 nan 0.000 0.497 84 A N 2.542 125.300 122.820 -0.103 0.000 2.067 84 A HA 0.332 4.652 4.320 0.000 0.000 0.217 84 A C 1.068 178.647 177.584 -0.008 0.000 1.156 84 A CA 0.373 52.378 52.037 -0.052 0.000 0.683 84 A CB -0.440 18.536 19.000 -0.040 0.000 0.808 84 A HN 0.652 nan 8.150 nan 0.000 0.455 85 L N 1.065 122.298 121.223 0.016 0.000 2.461 85 L HA 0.110 4.450 4.340 0.000 0.000 0.272 85 L C 0.484 177.460 176.870 0.177 0.000 1.197 85 L CA 0.859 55.764 54.840 0.108 0.000 0.836 85 L CB 0.177 42.348 42.059 0.186 0.000 1.105 85 L HN 0.629 nan 8.230 nan 0.000 0.477 86 D N -0.246 120.256 120.400 0.169 0.000 2.567 86 D HA 0.038 4.678 4.640 0.000 0.000 0.268 86 D C 0.483 176.852 176.300 0.115 0.000 1.448 86 D CA -0.243 53.861 54.000 0.174 0.000 0.811 86 D CB 0.206 41.069 40.800 0.105 0.000 1.192 86 D HN 0.512 nan 8.370 nan 0.000 0.488 87 G N 1.419 110.277 108.800 0.097 0.000 2.483 87 G HA2 0.135 4.095 3.960 0.000 0.000 0.248 87 G HA3 0.135 4.095 3.960 0.000 0.000 0.248 87 G C 0.875 175.770 174.900 -0.008 0.000 1.248 87 G CA -0.349 44.776 45.100 0.042 0.000 0.838 87 G HN 0.186 nan 8.290 nan 0.000 0.566 88 R N 1.267 121.748 120.500 -0.032 0.000 2.091 88 R HA -0.103 4.238 4.340 0.000 0.000 0.238 88 R C 2.573 178.807 176.300 -0.111 0.000 1.136 88 R CA 2.159 58.212 56.100 -0.078 0.000 0.959 88 R CB -0.795 29.472 30.300 -0.055 0.000 0.856 88 R HN 0.622 nan 8.270 nan 0.000 0.437 89 G N 0.752 109.508 108.800 -0.073 0.000 2.529 89 G HA2 -0.317 3.643 3.960 0.000 0.000 0.219 89 G HA3 -0.317 3.643 3.960 0.000 0.000 0.219 89 G C 0.938 175.765 174.900 -0.121 0.000 1.177 89 G CA 1.369 46.420 45.100 -0.082 0.000 0.773 89 G HN 0.407 nan 8.290 nan 0.000 0.573 90 D N -0.393 119.968 120.400 -0.065 0.000 2.234 90 D HA -0.004 4.636 4.640 0.000 0.000 0.205 90 D C 2.372 178.508 176.300 -0.273 0.000 0.962 90 D CA 0.277 54.279 54.000 0.002 0.000 0.855 90 D CB -0.161 40.801 40.800 0.270 0.000 0.951 90 D HN 0.322 nan 8.370 nan 0.000 0.500 91 R N 0.625 120.780 120.500 -0.574 0.000 2.094 91 R HA -0.119 4.221 4.340 0.000 0.000 0.239 91 R C 2.247 178.152 176.300 -0.657 0.000 1.137 91 R CA 1.170 56.569 56.100 -1.168 0.000 0.943 91 R CB -0.292 29.602 30.300 -0.676 0.000 0.850 91 R HN 0.120 nan 8.270 nan 0.000 0.433 92 I N 0.312 120.658 120.570 -0.373 0.000 2.439 92 I HA -0.213 3.957 4.170 0.000 0.000 0.251 92 I C 2.656 178.615 176.117 -0.263 0.000 1.139 92 I CA 0.959 62.105 61.300 -0.256 0.000 1.438 92 I CB -0.194 37.699 38.000 -0.180 0.000 1.085 92 I HN 0.363 nan 8.210 nan 0.000 0.427 93 Q N 0.555 120.148 119.800 -0.345 0.000 2.124 93 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 93 Q C 2.238 177.932 176.000 -0.509 0.000 0.977 93 Q CA 1.699 57.202 55.803 -0.500 0.000 0.850 93 Q CB -0.219 28.045 28.738 -0.791 0.000 0.901 93 Q HN 0.610 nan 8.270 nan 0.000 0.429 94 G N 0.528 109.156 108.800 -0.287 0.000 2.402 94 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 94 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 94 G C 1.321 176.279 174.900 0.096 0.000 1.162 94 G CA 0.336 45.543 45.100 0.179 0.000 0.777 94 G HN 0.211 nan 8.290 nan 0.000 0.539 95 L N 0.715 121.928 121.223 -0.016 0.000 2.093 95 L HA 0.027 4.367 4.340 0.000 0.000 0.208 95 L C 2.604 179.456 176.870 -0.029 0.000 1.085 95 L CA 1.307 56.142 54.840 -0.008 0.000 0.755 95 L CB -1.333 40.699 42.059 -0.045 0.000 0.904 95 L HN 0.370 nan 8.230 nan 0.000 0.435 96 E N 0.121 120.275 120.200 -0.077 0.000 2.204 96 E HA -0.140 4.211 4.350 0.000 0.000 0.194 96 E C 2.026 178.594 176.600 -0.053 0.000 0.989 96 E CA 1.291 57.648 56.400 -0.072 0.000 0.824 96 E CB 0.080 29.717 29.700 -0.104 0.000 0.756 96 E HN 0.513 nan 8.360 nan 0.000 0.477 97 S N -1.080 114.592 115.700 -0.046 0.000 2.603 97 S HA 0.147 4.617 4.470 0.000 0.000 0.220 97 S C 1.429 176.045 174.600 0.027 0.000 0.967 97 S CA 0.347 58.546 58.200 -0.002 0.000 0.920 97 S CB 0.714 63.938 63.200 0.039 0.000 0.773 97 S HN 0.336 nan 8.310 nan 0.000 0.529 98 G N 0.189 109.004 108.800 0.025 0.000 2.183 98 G HA2 0.079 4.039 3.960 0.000 0.000 0.168 98 G HA3 0.079 4.039 3.960 0.000 0.000 0.168 98 G C 0.120 175.040 174.900 0.033 0.000 1.008 98 G CA -0.341 44.771 45.100 0.019 0.000 0.677 98 G HN 1.034 nan 8.290 nan 0.000 0.498 99 A N 0.552 123.411 122.820 0.065 0.000 2.388 99 A HA 0.759 5.079 4.320 0.000 0.000 0.257 99 A C 1.594 179.216 177.584 0.063 0.000 1.095 99 A CA 1.074 53.158 52.037 0.077 0.000 0.791 99 A CB 0.560 19.643 19.000 0.139 0.000 1.029 99 A HN 0.875 nan 8.150 nan 0.000 0.489 100 S N 0.620 116.349 115.700 0.049 0.000 2.355 100 S HA -0.041 4.429 4.470 0.000 0.000 0.222 100 S C 0.600 175.238 174.600 0.063 0.000 1.031 100 S CA 1.412 59.637 58.200 0.042 0.000 0.993 100 S CB -0.120 63.101 63.200 0.035 0.000 0.859 100 S HN 0.860 nan 8.310 nan 0.000 0.453 101 D N -1.600 118.848 120.400 0.081 0.000 2.579 101 D HA 0.520 5.160 4.640 0.000 0.000 0.257 101 D C -1.979 174.427 176.300 0.177 0.000 1.176 101 D CA -0.677 53.390 54.000 0.112 0.000 0.914 101 D CB 1.916 42.758 40.800 0.070 0.000 1.431 101 D HN 0.083 nan 8.370 nan 0.000 0.454 102 F N 2.288 122.247 119.950 0.014 0.000 2.659 102 F HA 0.444 4.971 4.527 0.000 0.000 0.342 102 F C -1.846 173.959 175.800 0.008 0.000 1.168 102 F CA -0.645 57.368 58.000 0.022 0.000 1.003 102 F CB 0.600 39.625 39.000 0.042 0.000 1.267 102 F HN 0.060 nan 8.300 nan 0.000 0.463 103 L N 4.582 125.647 121.223 -0.265 0.000 2.329 103 L HA 0.561 4.901 4.340 0.000 0.000 0.279 103 L C 0.023 176.728 176.870 -0.275 0.000 1.014 103 L CA -0.505 54.236 54.840 -0.165 0.000 0.814 103 L CB 1.988 43.967 42.059 -0.133 0.000 1.257 103 L HN 0.510 nan 8.230 nan 0.000 0.424 104 T N 2.999 117.483 114.554 -0.117 0.000 2.749 104 T HA 0.333 4.683 4.350 0.000 0.000 0.287 104 T C 0.163 174.817 174.700 -0.076 0.000 0.970 104 T CA -0.726 61.316 62.100 -0.096 0.000 0.980 104 T CB 0.582 69.465 68.868 0.026 0.000 0.924 104 T HN 0.327 nan 8.240 nan 0.000 0.456 105 K N 4.265 124.610 120.400 -0.092 0.000 2.489 105 K HA 0.124 4.444 4.320 0.000 0.000 0.278 105 K C -1.934 174.641 176.600 -0.042 0.000 1.000 105 K CA -0.929 55.316 56.287 -0.071 0.000 1.012 105 K CB 0.164 32.620 32.500 -0.073 0.000 0.903 105 K HN 0.386 nan 8.250 nan 0.000 0.485 106 P HA 0.126 nan 4.420 nan 0.000 0.280 106 P C -0.571 176.698 177.300 -0.050 0.000 1.244 106 P CA -0.572 62.502 63.100 -0.044 0.000 0.784 106 P CB 0.431 32.113 31.700 -0.031 0.000 0.913 107 I N -1.040 119.488 120.570 -0.070 0.000 2.662 107 I HA 0.355 4.525 4.170 0.000 0.000 0.291 107 I C 0.178 176.248 176.117 -0.078 0.000 1.046 107 I CA -0.328 60.922 61.300 -0.083 0.000 1.361 107 I CB 0.325 38.254 38.000 -0.118 0.000 1.429 107 I HN 0.137 nan 8.210 nan 0.000 0.558 108 D N 4.324 124.680 120.400 -0.073 0.000 2.352 108 D HA 0.021 4.661 4.640 0.000 0.000 0.245 108 D C 0.384 176.615 176.300 -0.116 0.000 1.224 108 D CA 0.060 54.021 54.000 -0.064 0.000 0.879 108 D CB 0.683 41.461 40.800 -0.036 0.000 1.057 108 D HN 0.605 nan 8.370 nan 0.000 0.491 109 D N 2.921 123.245 120.400 -0.127 0.000 2.149 109 D HA -0.138 4.502 4.640 0.000 0.000 0.198 109 D C 2.049 178.229 176.300 -0.199 0.000 0.990 109 D CA 0.825 54.669 54.000 -0.261 0.000 0.839 109 D CB 0.460 41.195 40.800 -0.110 0.000 0.948 109 D HN 0.296 nan 8.370 nan 0.000 0.460 110 V N 1.300 121.217 119.914 0.005 0.000 2.407 110 V HA -0.233 3.887 4.120 0.000 0.000 0.248 110 V C 2.474 178.601 176.094 0.054 0.000 1.055 110 V CA 1.155 63.515 62.300 0.101 0.000 1.049 110 V CB -0.266 31.609 31.823 0.087 0.000 0.662 110 V HN 0.205 nan 8.190 nan 0.000 0.455 111 M N -1.088 118.505 119.600 -0.011 0.000 2.156 111 M HA -0.060 4.420 4.480 0.000 0.000 0.264 111 M C 2.187 178.455 176.300 -0.053 0.000 1.067 111 M CA 1.539 56.831 55.300 -0.012 0.000 1.131 111 M CB -1.209 31.381 32.600 -0.016 0.000 1.368 111 M HN 0.370 nan 8.290 nan 0.000 0.416 112 L N 0.262 121.379 121.223 -0.175 0.000 2.012 112 L HA -0.178 4.162 4.340 0.000 0.000 0.210 112 L C 2.047 178.807 176.870 -0.184 0.000 1.073 112 L CA 2.026 56.709 54.840 -0.261 0.000 0.748 112 L CB -0.848 40.926 42.059 -0.475 0.000 0.891 112 L HN 0.079 nan 8.230 nan 0.000 0.431 113 F N -0.297 119.662 119.950 0.015 0.000 2.206 113 F HA 0.008 4.535 4.527 0.000 0.000 0.298 113 F C 2.520 178.349 175.800 0.049 0.000 1.090 113 F CA 0.812 58.836 58.000 0.040 0.000 1.323 113 F CB -1.588 37.456 39.000 0.074 0.000 1.028 113 F HN 0.172 nan 8.300 nan 0.000 0.492 114 A N 0.290 123.236 122.820 0.210 0.000 1.883 114 A HA -0.256 4.064 4.320 0.000 0.000 0.217 114 A C 2.291 179.940 177.584 0.108 0.000 1.186 114 A CA 2.140 54.258 52.037 0.136 0.000 0.624 114 A CB -0.716 18.342 19.000 0.098 0.000 0.822 114 A HN 0.255 nan 8.150 nan 0.000 0.444 115 R N -0.112 120.437 120.500 0.080 0.000 2.081 115 R HA -0.066 4.274 4.340 0.000 0.000 0.235 115 R C 1.818 178.167 176.300 0.082 0.000 1.131 115 R CA 2.151 58.295 56.100 0.072 0.000 0.960 115 R CB -1.224 29.096 30.300 0.034 0.000 0.856 115 R HN 0.248 nan 8.270 nan 0.000 0.436 116 V N 0.889 120.845 119.914 0.070 0.000 2.295 116 V HA -0.183 3.937 4.120 0.000 0.000 0.246 116 V C 2.483 178.647 176.094 0.116 0.000 1.049 116 V CA 2.202 64.536 62.300 0.057 0.000 1.024 116 V CB -0.520 31.291 31.823 -0.019 0.000 0.648 116 V HN 0.346 nan 8.190 nan 0.000 0.447 117 R N -0.391 120.203 120.500 0.158 0.000 2.159 117 R HA -0.164 4.176 4.340 0.000 0.000 0.237 117 R C 2.634 178.975 176.300 0.068 0.000 1.131 117 R CA 1.568 57.751 56.100 0.139 0.000 0.982 117 R CB -0.323 30.056 30.300 0.131 0.000 0.868 117 R HN 0.510 nan 8.270 nan 0.000 0.453 118 S N 0.248 115.991 115.700 0.072 0.000 2.362 118 S HA -0.005 4.465 4.470 0.000 0.000 0.221 118 S C 1.875 176.543 174.600 0.113 0.000 1.032 118 S CA 0.598 58.820 58.200 0.037 0.000 0.973 118 S CB -0.003 63.271 63.200 0.124 0.000 0.849 118 S HN 0.210 nan 8.310 nan 0.000 0.465 119 L N 1.405 122.742 121.223 0.190 0.000 2.017 119 L HA -0.105 4.235 4.340 0.000 0.000 0.208 119 L C 2.998 179.986 176.870 0.197 0.000 1.073 119 L CA 1.813 56.799 54.840 0.244 0.000 0.745 119 L CB -1.276 40.877 42.059 0.157 0.000 0.894 119 L HN 0.518 nan 8.230 nan 0.000 0.432 120 T N -2.740 111.895 114.554 0.134 0.000 2.788 120 T HA -0.230 4.120 4.350 0.000 0.000 0.268 120 T C 2.029 176.776 174.700 0.078 0.000 1.044 120 T CA 0.868 63.041 62.100 0.121 0.000 1.139 120 T CB -0.356 68.596 68.868 0.139 0.000 0.867 120 T HN 0.217 nan 8.240 nan 0.000 0.454 121 R N -0.314 120.187 120.500 0.001 0.000 2.105 121 R HA -0.010 4.330 4.340 0.000 0.000 0.239 121 R C 2.142 178.384 176.300 -0.096 0.000 1.135 121 R CA 1.566 57.601 56.100 -0.108 0.000 0.967 121 R CB -0.422 29.718 30.300 -0.267 0.000 0.861 121 R HN 0.423 nan 8.270 nan 0.000 0.442 122 F N 0.407 120.393 119.950 0.061 0.000 2.234 122 F HA -0.026 4.501 4.527 0.000 0.000 0.296 122 F C 2.278 178.120 175.800 0.070 0.000 1.089 122 F CA 0.954 58.991 58.000 0.061 0.000 1.343 122 F CB -0.177 38.861 39.000 0.063 0.000 1.040 122 F HN -0.138 nan 8.300 nan 0.000 0.498 123 K N 0.361 120.916 120.400 0.258 0.000 2.362 123 K HA -0.081 4.239 4.320 0.000 0.000 0.200 123 K C 1.979 178.663 176.600 0.141 0.000 1.046 123 K CA 0.370 56.774 56.287 0.196 0.000 0.952 123 K CB -0.168 32.440 32.500 0.181 0.000 0.753 123 K HN 0.260 nan 8.250 nan 0.000 0.466 124 L N -0.093 121.198 121.223 0.114 0.000 2.012 124 L HA -0.239 4.101 4.340 0.000 0.000 0.210 124 L C 2.123 179.035 176.870 0.069 0.000 1.073 124 L CA 1.178 56.063 54.840 0.074 0.000 0.748 124 L CB -0.259 41.827 42.059 0.045 0.000 0.891 124 L HN 0.033 nan 8.230 nan 0.000 0.431 125 V N -0.367 119.598 119.914 0.084 0.000 2.407 125 V HA -0.225 3.896 4.120 0.000 0.000 0.245 125 V C 2.219 178.349 176.094 0.059 0.000 1.041 125 V CA 1.415 63.755 62.300 0.067 0.000 1.040 125 V CB -0.143 31.727 31.823 0.077 0.000 0.671 125 V HN 0.296 nan 8.190 nan 0.000 0.455 126 I N 0.373 120.996 120.570 0.089 0.000 2.127 126 I HA -0.274 3.896 4.170 0.000 0.000 0.241 126 I C 2.245 178.391 176.117 0.049 0.000 1.075 126 I CA 1.843 63.193 61.300 0.082 0.000 1.334 126 I CB -0.512 37.582 38.000 0.157 0.000 1.040 126 I HN 0.305 nan 8.210 nan 0.000 0.405 127 D N 0.282 120.717 120.400 0.058 0.000 2.144 127 D HA -0.196 4.444 4.640 0.000 0.000 0.200 127 D C 2.041 178.349 176.300 0.013 0.000 0.978 127 D CA 1.022 55.039 54.000 0.029 0.000 0.833 127 D CB -0.207 40.623 40.800 0.050 0.000 0.961 127 D HN 0.265 nan 8.370 nan 0.000 0.470 128 E N 0.213 120.424 120.200 0.018 0.000 2.077 128 E HA -0.134 4.216 4.350 0.000 0.000 0.193 128 E C 1.784 178.379 176.600 -0.009 0.000 0.989 128 E CA 0.692 57.096 56.400 0.007 0.000 0.800 128 E CB -0.273 29.433 29.700 0.010 0.000 0.746 128 E HN 0.071 nan 8.360 nan 0.000 0.452 129 L N 0.568 121.781 121.223 -0.017 0.000 2.141 129 L HA 0.013 4.354 4.340 0.000 0.000 0.209 129 L C 2.292 179.132 176.870 -0.050 0.000 1.094 129 L CA 1.474 56.288 54.840 -0.043 0.000 0.763 129 L CB -0.671 41.349 42.059 -0.065 0.000 0.908 129 L HN 0.113 nan 8.230 nan 0.000 0.437 130 R N -1.205 119.273 120.500 -0.037 0.000 2.092 130 R HA -0.173 4.167 4.340 0.000 0.000 0.231 130 R C 2.203 178.490 176.300 -0.021 0.000 1.119 130 R CA 1.087 57.169 56.100 -0.029 0.000 0.970 130 R CB -0.231 30.049 30.300 -0.034 0.000 0.864 130 R HN 0.349 nan 8.270 nan 0.000 0.440 131 Q N 0.190 119.981 119.800 -0.016 0.000 2.084 131 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 131 Q C 2.007 177.999 176.000 -0.013 0.000 0.978 131 Q CA 1.380 57.177 55.803 -0.009 0.000 0.844 131 Q CB 0.158 28.895 28.738 -0.003 0.000 0.898 131 Q HN 0.023 nan 8.270 nan 0.000 0.426 132 R N 0.360 120.848 120.500 -0.020 0.000 2.091 132 R HA -0.165 4.175 4.340 0.000 0.000 0.238 132 R C 2.015 178.296 176.300 -0.032 0.000 1.136 132 R CA 1.772 57.857 56.100 -0.026 0.000 0.959 132 R CB -0.647 29.634 30.300 -0.032 0.000 0.856 132 R HN 0.515 nan 8.270 nan 0.000 0.437 133 E N 0.117 120.293 120.200 -0.040 0.000 2.017 133 E HA -0.129 4.221 4.350 0.000 0.000 0.193 133 E C 1.763 178.349 176.600 -0.023 0.000 0.997 133 E CA 1.278 57.653 56.400 -0.043 0.000 0.804 133 E CB -0.168 29.500 29.700 -0.054 0.000 0.757 133 E HN 0.259 nan 8.360 nan 0.000 0.448 134 A N 0.426 123.239 122.820 -0.012 0.000 2.093 134 A HA -0.165 4.155 4.320 0.000 0.000 0.222 134 A C 2.051 179.633 177.584 -0.003 0.000 1.162 134 A CA 1.696 53.732 52.037 -0.001 0.000 0.655 134 A CB -0.481 18.522 19.000 0.004 0.000 0.805 134 A HN 0.256 nan 8.150 nan 0.000 0.461 135 S N -0.266 115.429 115.700 -0.009 0.000 2.840 135 S HA 0.337 4.808 4.470 0.000 0.000 0.235 135 S C 0.707 175.299 174.600 -0.013 0.000 0.968 135 S CA 0.374 58.569 58.200 -0.009 0.000 1.026 135 S CB -0.159 63.035 63.200 -0.009 0.000 0.788 135 S HN 0.723 nan 8.310 nan 0.000 0.487 136 G N 1.466 110.257 108.800 -0.015 0.000 2.938 136 G HA2 0.570 4.530 3.960 0.000 0.000 0.308 136 G HA3 0.570 4.530 3.960 0.000 0.000 0.308 136 G C -0.253 174.642 174.900 -0.008 0.000 1.422 136 G CA -0.736 44.354 45.100 -0.017 0.000 1.071 136 G HN 0.154 nan 8.290 nan 0.000 0.530 137 R N 1.371 121.868 120.500 -0.004 0.000 2.429 137 R HA 0.204 4.544 4.340 0.000 0.000 0.189 137 R C 0.299 176.601 176.300 0.003 0.000 1.106 137 R CA -0.403 55.699 56.100 0.003 0.000 1.138 137 R CB -0.893 29.411 30.300 0.006 0.000 1.323 137 R HN 0.523 nan 8.270 nan 0.000 0.756 138 R N -0.614 119.886 120.500 0.000 0.000 2.333 138 R HA 0.086 4.426 4.340 0.000 0.000 0.082 138 R C 0.493 176.792 176.300 -0.002 0.000 0.528 138 R CA 0.712 56.812 56.100 0.001 0.000 0.877 138 R CB -0.075 30.225 30.300 0.000 0.000 1.050 138 R HN 0.345 nan 8.270 nan 0.000 0.526 139 M N -0.835 118.761 119.600 -0.006 0.000 2.314 139 M HA 0.582 5.062 4.480 0.000 0.000 0.206 139 M C -0.417 175.877 176.300 -0.010 0.000 1.539 139 M CA 0.641 55.934 55.300 -0.011 0.000 1.845 139 M CB 1.318 33.906 32.600 -0.019 0.000 1.080 139 M HN 0.007 nan 8.290 nan 0.000 0.885 140 G N 1.312 110.103 108.800 -0.016 0.000 2.635 140 G HA2 0.477 4.437 3.960 0.000 0.000 0.295 140 G HA3 0.477 4.437 3.960 0.000 0.000 0.295 140 G C -2.188 172.699 174.900 -0.022 0.000 1.359 140 G CA -0.355 44.736 45.100 -0.014 0.000 1.232 140 G HN 0.534 nan 8.290 nan 0.000 0.597 141 V N 4.522 124.434 119.914 -0.004 0.000 2.347 141 V HA 0.810 4.930 4.120 0.000 0.000 0.280 141 V C -0.082 176.025 176.094 0.022 0.000 1.021 141 V CA -0.275 62.028 62.300 0.005 0.000 0.847 141 V CB 0.276 32.113 31.823 0.024 0.000 0.990 141 V HN 0.625 nan 8.190 nan 0.000 0.444 142 I N 5.686 126.274 120.570 0.030 0.000 4.499 142 I HA 0.693 4.863 4.170 0.000 0.000 0.204 142 I C 1.822 177.995 176.117 0.092 0.000 0.872 142 I CA -0.302 61.033 61.300 0.058 0.000 1.678 142 I CB -0.004 38.033 38.000 0.060 0.000 1.189 142 I HN 0.609 nan 8.210 nan 0.000 0.376 143 A N 0.570 123.445 122.820 0.093 0.000 1.481 143 A HA -0.278 4.042 4.320 0.000 0.000 0.234 143 A C 1.520 179.169 177.584 0.109 0.000 1.366 143 A CA 1.873 53.969 52.037 0.098 0.000 1.095 143 A CB -2.824 16.244 19.000 0.113 0.000 1.465 143 A HN 1.285 nan 8.150 nan 0.000 0.718 144 G N -1.332 107.557 108.800 0.148 0.000 2.150 144 G HA2 0.484 4.444 3.960 0.000 0.000 0.250 144 G HA3 0.484 4.444 3.960 0.000 0.000 0.250 144 G C 0.636 175.626 174.900 0.150 0.000 1.179 144 G CA 0.572 45.797 45.100 0.210 0.000 0.934 144 G HN 1.881 nan 8.290 nan 0.000 0.453 145 A N 2.925 125.812 122.820 0.112 0.000 2.460 145 A HA 0.652 4.972 4.320 0.000 0.000 0.258 145 A C 1.659 179.278 177.584 0.060 0.000 1.300 145 A CA 0.976 53.056 52.037 0.071 0.000 0.913 145 A CB -0.398 18.628 19.000 0.045 0.000 1.031 145 A HN 2.591 nan 8.150 nan 0.000 0.512 146 A N -1.633 121.238 122.820 0.086 0.000 2.734 146 A HA 0.057 4.377 4.320 0.000 0.000 0.296 146 A C 0.965 178.558 177.584 0.015 0.000 1.474 146 A CA 1.102 53.187 52.037 0.079 0.000 0.735 146 A CB -1.705 17.349 19.000 0.091 0.000 1.062 146 A HN 1.986 nan 8.150 nan 0.000 0.463 147 A N -0.067 122.726 122.820 -0.044 0.000 2.628 147 A HA 0.553 4.873 4.320 0.000 0.000 0.267 147 A C 1.104 178.643 177.584 -0.076 0.000 1.159 147 A CA 1.131 53.140 52.037 -0.047 0.000 0.972 147 A CB 0.152 19.130 19.000 -0.037 0.000 1.211 147 A HN 1.688 nan 8.150 nan 0.000 0.576 148 R N -1.829 118.607 120.500 -0.107 0.000 4.067 148 R HA -0.189 4.151 4.340 0.000 0.000 0.192 148 R C -0.498 175.722 176.300 -0.132 0.000 0.282 148 R CA 0.643 56.679 56.100 -0.107 0.000 0.774 148 R CB -1.609 28.648 30.300 -0.072 0.000 0.987 148 R HN 0.759 nan 8.270 nan 0.000 0.563 149 L N 1.306 122.484 121.223 -0.075 0.000 3.946 149 L HA -0.045 4.295 4.340 0.000 0.000 0.537 149 L C -0.898 175.956 176.870 -0.026 0.000 1.093 149 L CA -0.261 54.547 54.840 -0.054 0.000 1.152 149 L CB -0.166 41.859 42.059 -0.056 0.000 2.009 149 L HN 0.590 nan 8.230 nan 0.000 0.977 150 D N 1.293 121.683 120.400 -0.016 0.000 2.433 150 D HA 0.537 5.177 4.640 0.000 0.000 0.255 150 D C 1.094 177.402 176.300 0.013 0.000 1.226 150 D CA 0.850 54.846 54.000 -0.008 0.000 1.015 150 D CB 1.643 42.435 40.800 -0.013 0.000 1.091 150 D HN 0.518 nan 8.370 nan 0.000 0.527 151 G N -0.179 108.635 108.800 0.023 0.000 3.159 151 G HA2 0.216 4.176 3.960 0.000 0.000 0.232 151 G HA3 0.216 4.176 3.960 0.000 0.000 0.232 151 G C 0.563 175.528 174.900 0.108 0.000 1.116 151 G CA -0.113 45.022 45.100 0.059 0.000 0.767 151 G HN 0.293 nan 8.290 nan 0.000 0.547 152 L N -0.436 120.807 121.223 0.034 0.000 2.400 152 L HA 0.690 5.030 4.340 0.000 0.000 0.264 152 L C 1.281 178.133 176.870 -0.030 0.000 1.061 152 L CA 0.079 54.883 54.840 -0.060 0.000 0.799 152 L CB 0.995 42.976 42.059 -0.131 0.000 1.240 152 L HN 0.368 nan 8.230 nan 0.000 0.461 153 G N 0.140 108.877 108.800 -0.104 0.000 2.499 153 G HA2 0.222 4.183 3.960 0.000 0.000 0.232 153 G HA3 0.222 4.183 3.960 0.000 0.000 0.232 153 G C 0.088 175.089 174.900 0.168 0.000 1.251 153 G CA -0.201 44.901 45.100 0.004 0.000 0.917 153 G HN 1.653 nan 8.290 nan 0.000 0.580 154 G N -1.283 107.596 108.800 0.131 0.000 3.172 154 G HA2 0.327 4.287 3.960 0.000 0.000 0.686 154 G HA3 0.327 4.287 3.960 0.000 0.000 0.686 154 G C -0.395 174.575 174.900 0.117 0.000 1.009 154 G CA 0.607 45.792 45.100 0.141 0.000 0.787 154 G HN 1.204 nan 8.290 nan 0.000 0.559 155 R N 0.446 120.984 120.500 0.063 0.000 2.229 155 R HA 0.575 4.916 4.340 0.000 0.000 0.328 155 R C 0.094 176.408 176.300 0.024 0.000 1.009 155 R CA -0.640 55.487 56.100 0.045 0.000 0.864 155 R CB 1.824 32.145 30.300 0.035 0.000 1.085 155 R HN 0.419 nan 8.270 nan 0.000 0.453 156 V N 5.120 125.043 119.914 0.014 0.000 2.409 156 V HA 0.263 4.383 4.120 0.000 0.000 0.291 156 V C -0.701 175.396 176.094 0.006 0.000 1.020 156 V CA -0.900 61.395 62.300 -0.009 0.000 0.848 156 V CB 1.556 33.347 31.823 -0.054 0.000 0.990 156 V HN 0.495 nan 8.190 nan 0.000 0.430 157 L N 6.683 127.916 121.223 0.016 0.000 2.292 157 L HA 0.608 4.948 4.340 0.000 0.000 0.284 157 L C -0.438 176.442 176.870 0.018 0.000 1.065 157 L CA 0.273 55.127 54.840 0.023 0.000 0.806 157 L CB 1.062 43.147 42.059 0.043 0.000 1.175 157 L HN 0.551 nan 8.230 nan 0.000 0.431 158 I N 5.915 126.489 120.570 0.006 0.000 2.405 158 I HA 0.267 4.437 4.170 0.000 0.000 0.280 158 I C -0.776 175.333 176.117 -0.014 0.000 1.027 158 I CA -0.593 60.708 61.300 0.001 0.000 1.161 158 I CB 1.488 39.488 38.000 0.000 0.000 1.300 158 I HN 0.216 nan 8.210 nan 0.000 0.463 159 V N 5.090 124.988 119.914 -0.026 0.000 2.353 159 V HA 0.426 4.546 4.120 0.000 0.000 0.264 159 V C -0.268 175.861 176.094 0.059 0.000 1.049 159 V CA -0.130 62.123 62.300 -0.079 0.000 0.896 159 V CB 0.530 32.177 31.823 -0.293 0.000 1.025 159 V HN 0.632 nan 8.190 nan 0.000 0.475 160 D N 3.153 123.606 120.400 0.088 0.000 2.886 160 D HA 0.192 4.832 4.640 0.000 0.000 0.216 160 D C -0.801 175.576 176.300 0.129 0.000 1.256 160 D CA -0.300 53.770 54.000 0.117 0.000 0.844 160 D CB 2.788 43.612 40.800 0.039 0.000 1.669 160 D HN 0.645 nan 8.370 nan 0.000 0.513 161 D N 1.170 121.661 120.400 0.153 0.000 2.463 161 D HA 0.018 4.658 4.640 0.000 0.000 0.224 161 D C -0.216 176.111 176.300 0.044 0.000 1.174 161 D CA -0.319 53.751 54.000 0.117 0.000 0.829 161 D CB 0.070 40.986 40.800 0.192 0.000 0.993 161 D HN 0.054 nan 8.370 nan 0.000 0.497 162 N N 1.365 120.079 118.700 0.023 0.000 2.564 162 N HA 0.064 4.804 4.740 0.000 0.000 0.248 162 N C 0.596 176.110 175.510 0.007 0.000 0.986 162 N CA -0.175 52.879 53.050 0.006 0.000 0.921 162 N CB 1.836 40.318 38.487 -0.009 0.000 1.136 162 N HN -0.134 nan 8.380 nan 0.000 0.509 163 E N 3.007 123.211 120.200 0.007 0.000 2.051 163 E HA -0.075 4.275 4.350 0.000 0.000 0.192 163 E C 1.613 178.214 176.600 0.002 0.000 0.991 163 E CA 1.436 57.839 56.400 0.005 0.000 0.799 163 E CB 0.176 29.879 29.700 0.004 0.000 0.748 163 E HN 0.548 nan 8.360 nan 0.000 0.449 164 R N -0.049 120.451 120.500 -0.000 0.000 2.097 164 R HA -0.237 4.103 4.340 0.000 0.000 0.236 164 R C 2.556 178.855 176.300 -0.003 0.000 1.135 164 R CA 2.162 58.261 56.100 -0.002 0.000 0.934 164 R CB -0.348 29.950 30.300 -0.003 0.000 0.846 164 R HN 0.300 nan 8.270 nan 0.000 0.431 165 Q N -0.445 119.352 119.800 -0.004 0.000 2.061 165 Q HA -0.208 4.132 4.340 0.000 0.000 0.204 165 Q C 1.970 177.968 176.000 -0.003 0.000 0.984 165 Q CA 1.914 57.714 55.803 -0.005 0.000 0.846 165 Q CB -0.130 28.603 28.738 -0.008 0.000 0.902 165 Q HN 0.449 nan 8.270 nan 0.000 0.421 166 A N 0.626 123.446 122.820 -0.000 0.000 1.883 166 A HA -0.239 4.082 4.320 0.000 0.000 0.217 166 A C 2.011 179.596 177.584 0.001 0.000 1.186 166 A CA 1.601 53.639 52.037 0.002 0.000 0.624 166 A CB -0.605 18.398 19.000 0.005 0.000 0.822 166 A HN 0.448 nan 8.150 nan 0.000 0.444 167 Q N -0.408 119.393 119.800 0.001 0.000 2.124 167 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 167 Q C 2.232 178.233 176.000 0.001 0.000 0.977 167 Q CA 1.442 57.246 55.803 0.002 0.000 0.850 167 Q CB -0.367 28.372 28.738 0.001 0.000 0.901 167 Q HN 0.690 nan 8.270 nan 0.000 0.429 168 R N -0.056 120.444 120.500 -0.000 0.000 2.073 168 R HA -0.097 4.243 4.340 0.000 0.000 0.234 168 R C 2.460 178.760 176.300 0.000 0.000 1.134 168 R CA 1.361 57.460 56.100 -0.001 0.000 0.952 168 R CB -0.419 29.879 30.300 -0.003 0.000 0.850 168 R HN 0.058 nan 8.270 nan 0.000 0.433 169 V N 0.960 120.873 119.914 -0.001 0.000 2.332 169 V HA -0.262 3.858 4.120 0.000 0.000 0.248 169 V C 2.407 178.503 176.094 0.003 0.000 1.055 169 V CA 2.019 64.319 62.300 -0.001 0.000 1.038 169 V CB -0.676 31.145 31.823 -0.004 0.000 0.651 169 V HN 0.443 nan 8.190 nan 0.000 0.450 170 A N -0.227 122.596 122.820 0.005 0.000 1.930 170 A HA -0.050 4.270 4.320 0.000 0.000 0.217 170 A C 2.403 179.996 177.584 0.016 0.000 1.175 170 A CA 1.881 53.924 52.037 0.011 0.000 0.627 170 A CB -0.664 18.341 19.000 0.008 0.000 0.815 170 A HN 0.561 nan 8.150 nan 0.000 0.443 171 A N -0.231 122.595 122.820 0.011 0.000 1.930 171 A HA -0.109 4.211 4.320 0.000 0.000 0.217 171 A C 1.978 179.572 177.584 0.015 0.000 1.175 171 A CA 2.079 54.122 52.037 0.011 0.000 0.627 171 A CB -0.406 18.597 19.000 0.005 0.000 0.815 171 A HN 0.539 nan 8.150 nan 0.000 0.443 172 E N 0.381 120.590 120.200 0.016 0.000 2.047 172 E HA -0.088 4.262 4.350 0.000 0.000 0.191 172 E C 1.799 178.428 176.600 0.047 0.000 0.987 172 E CA 1.280 57.693 56.400 0.021 0.000 0.799 172 E CB -0.441 29.267 29.700 0.013 0.000 0.752 172 E HN 0.555 nan 8.360 nan 0.000 0.449 173 L N -0.204 121.054 121.223 0.059 0.000 2.201 173 L HA 0.017 4.357 4.340 0.000 0.000 0.212 173 L C 2.424 179.373 176.870 0.132 0.000 1.105 173 L CA 0.816 55.732 54.840 0.126 0.000 0.775 173 L CB -0.752 41.347 42.059 0.066 0.000 0.913 173 L HN 0.324 nan 8.230 nan 0.000 0.440 174 G N 0.237 109.078 108.800 0.067 0.000 2.503 174 G HA2 -0.241 3.719 3.960 0.000 0.000 0.221 174 G HA3 -0.241 3.719 3.960 0.000 0.000 0.221 174 G C 1.533 176.449 174.900 0.026 0.000 1.131 174 G CA 1.232 46.359 45.100 0.045 0.000 0.756 174 G HN 0.258 nan 8.290 nan 0.000 0.572 175 V N 0.315 120.238 119.914 0.015 0.000 2.307 175 V HA -0.057 4.063 4.120 0.000 0.000 0.245 175 V C 2.470 178.530 176.094 -0.056 0.000 1.045 175 V CA 1.931 64.222 62.300 -0.015 0.000 1.024 175 V CB -0.243 31.570 31.823 -0.016 0.000 0.651 175 V HN 0.273 nan 8.190 nan 0.000 0.449 176 E N -1.840 118.302 120.200 -0.096 0.000 2.431 176 E HA 0.184 4.534 4.350 0.000 0.000 0.200 176 E C 0.537 176.818 176.600 -0.531 0.000 0.995 176 E CA 0.267 56.480 56.400 -0.311 0.000 0.915 176 E CB 0.313 29.776 29.700 -0.395 0.000 0.930 176 E HN 0.671 nan 8.360 nan 0.000 0.496 177 H N -0.435 118.632 119.070 -0.005 0.000 2.949 177 H HA 0.458 5.014 4.556 0.000 0.000 0.310 177 H C 0.096 175.423 175.328 -0.001 0.000 1.405 177 H CA -0.762 55.285 56.048 -0.002 0.000 1.253 177 H CB 1.265 31.026 29.762 -0.001 0.000 1.932 177 H HN -0.244 nan 8.280 nan 0.000 0.602 178 R N 1.995 122.585 120.500 0.151 0.000 2.664 178 R HA 0.257 4.598 4.340 0.000 0.000 0.281 178 R C -2.641 173.695 176.300 0.061 0.000 1.383 178 R CA -1.666 54.479 56.100 0.076 0.000 1.563 178 R CB 0.697 31.030 30.300 0.055 0.000 1.131 178 R HN 0.380 nan 8.270 nan 0.000 0.599 179 P HA 0.214 nan 4.420 nan 0.000 0.279 179 P C -0.362 176.951 177.300 0.021 0.000 1.239 179 P CA -0.315 62.804 63.100 0.032 0.000 0.789 179 P CB 1.700 33.419 31.700 0.030 0.000 0.933 180 V N 4.492 124.415 119.914 0.015 0.000 2.577 180 V HA 0.335 4.455 4.120 0.000 0.000 0.303 180 V C 0.521 176.617 176.094 0.004 0.000 1.042 180 V CA -0.710 61.596 62.300 0.010 0.000 0.872 180 V CB 1.910 33.739 31.823 0.011 0.000 0.998 180 V HN 0.439 nan 8.190 nan 0.000 0.423 181 I N 3.474 124.044 120.570 0.000 0.000 2.532 181 I HA 0.544 4.714 4.170 0.000 0.000 0.292 181 I C -0.065 176.044 176.117 -0.015 0.000 1.014 181 I CA -0.049 61.247 61.300 -0.006 0.000 1.340 181 I CB 1.425 39.423 38.000 -0.003 0.000 1.422 181 I HN 0.685 nan 8.210 nan 0.000 0.528 182 E N 2.672 122.855 120.200 -0.029 0.000 2.499 182 E HA 0.122 4.472 4.350 0.000 0.000 0.327 182 E C -0.159 176.388 176.600 -0.088 0.000 0.929 182 E CA -0.381 55.988 56.400 -0.052 0.000 0.788 182 E CB 0.937 30.605 29.700 -0.052 0.000 1.452 182 E HN 0.499 nan 8.360 nan 0.000 0.387 183 S N 2.246 117.902 115.700 -0.073 0.000 2.558 183 S HA 0.066 4.536 4.470 0.000 0.000 0.217 183 S C 0.567 175.059 174.600 -0.180 0.000 0.975 183 S CA -0.084 58.072 58.200 -0.074 0.000 0.912 183 S CB 0.076 63.270 63.200 -0.011 0.000 0.776 183 S HN 0.445 nan 8.310 nan 0.000 0.526 184 D N 2.879 123.164 120.400 -0.192 0.000 2.313 184 D HA 0.242 4.883 4.640 0.000 0.000 0.239 184 D C -1.644 174.452 176.300 -0.341 0.000 1.142 184 D CA -2.062 51.798 54.000 -0.233 0.000 0.847 184 D CB 2.036 42.762 40.800 -0.123 0.000 1.082 184 D HN 0.049 nan 8.370 nan 0.000 0.480 185 P HA -0.116 nan 4.420 nan 0.000 0.219 185 P C 1.047 178.302 177.300 -0.076 0.000 1.150 185 P CA 0.764 63.553 63.100 -0.518 0.000 0.814 185 P CB 0.723 32.001 31.700 -0.703 0.000 0.787 186 E N 0.918 121.074 120.200 -0.073 0.000 2.047 186 E HA -0.142 4.208 4.350 0.000 0.000 0.191 186 E C 2.092 178.699 176.600 0.011 0.000 0.987 186 E CA 1.411 57.811 56.400 0.000 0.000 0.799 186 E CB -0.556 29.136 29.700 -0.014 0.000 0.752 186 E HN 0.114 nan 8.360 nan 0.000 0.449 187 K N -0.130 120.258 120.400 -0.021 0.000 2.032 187 K HA -0.136 4.184 4.320 0.000 0.000 0.209 187 K C 2.158 178.768 176.600 0.016 0.000 1.048 187 K CA 1.155 57.436 56.287 -0.010 0.000 0.927 187 K CB -0.289 32.193 32.500 -0.030 0.000 0.712 187 K HN 0.165 nan 8.250 nan 0.000 0.441 188 A N 1.950 124.777 122.820 0.012 0.000 1.917 188 A HA -0.249 4.071 4.320 0.000 0.000 0.219 188 A C 1.988 179.692 177.584 0.200 0.000 1.182 188 A CA 1.833 53.917 52.037 0.078 0.000 0.633 188 A CB -0.416 18.569 19.000 -0.026 0.000 0.819 188 A HN 0.232 nan 8.150 nan 0.000 0.448 189 K N -0.530 120.007 120.400 0.227 0.000 2.074 189 K HA -0.163 4.157 4.320 0.000 0.000 0.209 189 K C 1.738 178.368 176.600 0.049 0.000 1.048 189 K CA 1.870 58.221 56.287 0.107 0.000 0.926 189 K CB -0.423 32.106 32.500 0.048 0.000 0.713 189 K HN 0.607 nan 8.250 nan 0.000 0.444 190 I N 0.424 121.020 120.570 0.043 0.000 2.133 190 I HA -0.307 3.863 4.170 0.000 0.000 0.238 190 I C 2.214 178.348 176.117 0.028 0.000 1.074 190 I CA 1.266 62.580 61.300 0.024 0.000 1.342 190 I CB -0.404 37.605 38.000 0.015 0.000 1.053 190 I HN 0.073 nan 8.210 nan 0.000 0.404 191 S N 1.267 116.988 115.700 0.035 0.000 2.381 191 S HA -0.312 4.158 4.470 0.000 0.000 0.230 191 S C 2.231 176.856 174.600 0.042 0.000 1.052 191 S CA 1.591 59.811 58.200 0.034 0.000 1.068 191 S CB -0.775 62.445 63.200 0.034 0.000 0.918 191 S HN 0.575 nan 8.310 nan 0.000 0.448 192 A N 1.413 124.271 122.820 0.063 0.000 2.076 192 A HA 0.084 4.404 4.320 0.000 0.000 0.220 192 A C 2.282 179.884 177.584 0.030 0.000 1.160 192 A CA 1.631 53.704 52.037 0.061 0.000 0.653 192 A CB -1.276 17.775 19.000 0.085 0.000 0.801 192 A HN 0.554 nan 8.150 nan 0.000 0.455 193 G N -0.437 108.375 108.800 0.019 0.000 2.403 193 G HA2 0.222 4.182 3.960 0.000 0.000 0.216 193 G HA3 0.222 4.182 3.960 0.000 0.000 0.216 193 G C 1.121 176.028 174.900 0.012 0.000 1.154 193 G CA 0.970 46.076 45.100 0.010 0.000 0.784 193 G HN 0.751 nan 8.290 nan 0.000 0.538 194 G N 1.054 109.863 108.800 0.016 0.000 2.421 194 G HA2 0.329 4.289 3.960 0.000 0.000 0.238 194 G HA3 0.329 4.289 3.960 0.000 0.000 0.238 194 G C -1.830 173.079 174.900 0.016 0.000 1.544 194 G CA 0.017 45.126 45.100 0.014 0.000 1.044 194 G HN 0.267 nan 8.290 nan 0.000 0.537 195 P HA 0.449 nan 4.420 nan 0.000 0.262 195 P C -1.133 176.180 177.300 0.022 0.000 1.620 195 P CA -0.105 63.006 63.100 0.018 0.000 1.089 195 P CB 0.908 32.617 31.700 0.016 0.000 1.601 196 V N 3.097 123.025 119.914 0.024 0.000 2.808 196 V HA 0.206 4.326 4.120 0.000 0.000 0.308 196 V C 0.463 176.573 176.094 0.025 0.000 1.099 196 V CA -0.356 61.960 62.300 0.026 0.000 0.920 196 V CB 2.513 34.355 31.823 0.032 0.000 1.014 196 V HN 0.296 nan 8.190 nan 0.000 0.425 197 D N 1.993 122.407 120.400 0.023 0.000 2.324 197 D HA 0.211 4.851 4.640 0.000 0.000 0.212 197 D C -0.065 176.241 176.300 0.011 0.000 0.984 197 D CA 0.813 54.825 54.000 0.020 0.000 0.885 197 D CB 1.443 42.258 40.800 0.025 0.000 0.996 197 D HN 0.263 nan 8.370 nan 0.000 0.505 198 L N 0.589 121.816 121.223 0.007 0.000 2.505 198 L HA 0.346 4.686 4.340 0.000 0.000 0.259 198 L C -1.667 175.213 176.870 0.018 0.000 0.952 198 L CA -0.777 54.063 54.840 -0.000 0.000 0.840 198 L CB 2.342 44.380 42.059 -0.035 0.000 1.358 198 L HN -0.347 nan 8.230 nan 0.000 0.409 199 V N 5.355 125.294 119.914 0.041 0.000 2.513 199 V HA 0.555 4.676 4.120 0.000 0.000 0.299 199 V C -0.102 176.030 176.094 0.063 0.000 1.035 199 V CA -0.415 61.928 62.300 0.073 0.000 0.889 199 V CB 1.731 33.639 31.823 0.142 0.000 0.988 199 V HN 0.609 nan 8.190 nan 0.000 0.440 200 I N 4.736 125.336 120.570 0.050 0.000 2.362 200 I HA 0.525 4.695 4.170 0.000 0.000 0.289 200 I C -0.771 175.379 176.117 0.056 0.000 0.994 200 I CA -0.609 60.715 61.300 0.040 0.000 1.158 200 I CB 1.846 39.852 38.000 0.009 0.000 1.315 200 I HN 0.288 nan 8.210 nan 0.000 0.451 201 V N 4.956 124.914 119.914 0.075 0.000 2.540 201 V HA 0.332 4.452 4.120 0.000 0.000 0.302 201 V C -0.187 175.935 176.094 0.047 0.000 1.035 201 V CA -0.878 61.473 62.300 0.085 0.000 0.873 201 V CB 1.987 33.918 31.823 0.181 0.000 0.992 201 V HN 0.679 nan 8.190 nan 0.000 0.428 202 N N 3.188 121.894 118.700 0.010 0.000 2.406 202 N HA 0.374 5.115 4.740 0.000 0.000 0.251 202 N C 0.745 176.190 175.510 -0.108 0.000 1.069 202 N CA 0.229 53.249 53.050 -0.050 0.000 0.947 202 N CB 1.810 40.252 38.487 -0.075 0.000 1.111 202 N HN 0.795 nan 8.380 nan 0.000 0.497 203 A N 3.336 126.119 122.820 -0.062 0.000 2.067 203 A HA 0.172 4.492 4.320 0.000 0.000 0.217 203 A C 1.375 178.894 177.584 -0.108 0.000 1.156 203 A CA 1.086 53.086 52.037 -0.063 0.000 0.683 203 A CB -0.190 18.803 19.000 -0.012 0.000 0.808 203 A HN 0.688 nan 8.150 nan 0.000 0.455 204 A N -0.401 122.351 122.820 -0.113 0.000 2.577 204 A HA 0.672 4.993 4.320 0.000 0.000 0.280 204 A C 0.919 178.402 177.584 -0.168 0.000 1.331 204 A CA 0.330 52.299 52.037 -0.114 0.000 0.935 204 A CB -0.967 17.991 19.000 -0.069 0.000 1.082 204 A HN 0.785 nan 8.150 nan 0.000 0.525 205 A N 0.245 122.889 122.820 -0.293 0.000 2.483 205 A HA 0.366 4.686 4.320 0.000 0.000 0.238 205 A C 1.080 178.481 177.584 -0.305 0.000 1.070 205 A CA 0.038 51.836 52.037 -0.398 0.000 0.770 205 A CB 0.298 18.745 19.000 -0.921 0.000 1.008 205 A HN 0.494 nan 8.150 nan 0.000 0.497 206 K N 0.728 121.014 120.400 -0.191 0.000 2.262 206 K HA 0.021 4.341 4.320 0.000 0.000 0.200 206 K C 0.658 177.223 176.600 -0.060 0.000 1.049 206 K CA 0.871 57.099 56.287 -0.100 0.000 0.979 206 K CB 0.151 32.622 32.500 -0.049 0.000 0.773 206 K HN 0.721 nan 8.250 nan 0.000 0.474 207 N N 0.071 118.755 118.700 -0.027 0.000 2.205 207 N HA 0.098 4.839 4.740 0.000 0.000 0.201 207 N C -0.510 175.144 175.510 0.241 0.000 1.128 207 N CA 0.118 53.234 53.050 0.110 0.000 0.867 207 N CB 0.648 39.235 38.487 0.168 0.000 0.996 207 N HN 0.035 nan 8.380 nan 0.000 0.503 208 F N -1.609 118.335 119.950 -0.011 0.000 2.741 208 F HA 0.380 4.907 4.527 0.000 0.000 0.311 208 F C -1.641 174.165 175.800 0.011 0.000 1.149 208 F CA -1.424 56.577 58.000 0.002 0.000 0.930 208 F CB 0.904 39.900 39.000 -0.008 0.000 1.312 208 F HN -0.358 nan 8.300 nan 0.000 0.450 209 D N 1.232 121.690 120.400 0.096 0.000 2.347 209 D HA 0.308 4.948 4.640 0.000 0.000 0.235 209 D C 1.148 177.529 176.300 0.136 0.000 1.149 209 D CA 0.314 54.329 54.000 0.025 0.000 0.850 209 D CB 1.653 42.500 40.800 0.079 0.000 1.061 209 D HN 0.861 nan 8.370 nan 0.000 0.487 210 G N 3.320 112.105 108.800 -0.025 0.000 2.432 210 G HA2 -0.218 3.742 3.960 0.000 0.000 0.219 210 G HA3 -0.218 3.742 3.960 0.000 0.000 0.219 210 G C 1.320 176.361 174.900 0.236 0.000 1.135 210 G CA 0.322 45.504 45.100 0.137 0.000 0.767 210 G HN 0.480 nan 8.290 nan 0.000 0.550 211 L N 0.101 121.407 121.223 0.138 0.000 2.109 211 L HA 0.183 4.523 4.340 0.000 0.000 0.207 211 L C 2.721 179.672 176.870 0.136 0.000 1.086 211 L CA 1.334 56.248 54.840 0.124 0.000 0.760 211 L CB -0.810 41.293 42.059 0.073 0.000 0.910 211 L HN 0.234 nan 8.230 nan 0.000 0.437 212 R N -1.101 119.488 120.500 0.148 0.000 2.096 212 R HA -0.228 4.112 4.340 0.000 0.000 0.235 212 R C 2.385 178.786 176.300 0.168 0.000 1.127 212 R CA 1.416 57.597 56.100 0.136 0.000 0.968 212 R CB -0.463 29.916 30.300 0.132 0.000 0.861 212 R HN 0.258 nan 8.270 nan 0.000 0.440 213 F N 0.951 120.974 119.950 0.122 0.000 2.171 213 F HA -0.157 4.370 4.527 0.000 0.000 0.300 213 F C 1.814 177.663 175.800 0.082 0.000 1.090 213 F CA 2.004 60.073 58.000 0.115 0.000 1.293 213 F CB -0.334 38.781 39.000 0.191 0.000 1.013 213 F HN -0.031 nan 8.300 nan 0.000 0.486 214 T N 0.538 115.171 114.554 0.133 0.000 2.777 214 T HA -0.085 4.265 4.350 0.000 0.000 0.266 214 T C 2.268 176.939 174.700 -0.048 0.000 1.040 214 T CA 1.187 63.302 62.100 0.024 0.000 1.141 214 T CB -0.806 68.141 68.868 0.132 0.000 0.868 214 T HN 0.361 nan 8.240 nan 0.000 0.444 215 A N 1.712 124.529 122.820 -0.006 0.000 1.908 215 A HA 0.054 4.374 4.320 0.000 0.000 0.218 215 A C 2.651 180.198 177.584 -0.061 0.000 1.181 215 A CA 1.980 54.008 52.037 -0.016 0.000 0.627 215 A CB -1.202 17.804 19.000 0.010 0.000 0.818 215 A HN 0.513 nan 8.150 nan 0.000 0.445 216 A N -0.093 122.662 122.820 -0.108 0.000 1.865 216 A HA -0.129 4.191 4.320 0.000 0.000 0.217 216 A C 2.194 179.665 177.584 -0.189 0.000 1.191 216 A CA 1.674 53.619 52.037 -0.153 0.000 0.623 216 A CB -0.778 18.097 19.000 -0.209 0.000 0.826 216 A HN 0.496 nan 8.150 nan 0.000 0.444 217 L N -1.143 119.904 121.223 -0.293 0.000 2.012 217 L HA -0.234 4.106 4.340 0.000 0.000 0.210 217 L C 2.913 179.722 176.870 -0.102 0.000 1.073 217 L CA 1.486 56.194 54.840 -0.220 0.000 0.748 217 L CB -0.573 41.340 42.059 -0.243 0.000 0.891 217 L HN 0.312 nan 8.230 nan 0.000 0.431 218 R N 0.092 120.549 120.500 -0.071 0.000 2.096 218 R HA -0.125 4.216 4.340 0.000 0.000 0.235 218 R C 2.585 178.868 176.300 -0.027 0.000 1.127 218 R CA 1.729 57.814 56.100 -0.025 0.000 0.968 218 R CB -0.818 29.479 30.300 -0.005 0.000 0.861 218 R HN 0.557 nan 8.270 nan 0.000 0.440 219 S N 0.658 116.334 115.700 -0.040 0.000 2.387 219 S HA -0.052 4.418 4.470 0.000 0.000 0.226 219 S C 0.622 175.204 174.600 -0.030 0.000 1.026 219 S CA 0.389 58.571 58.200 -0.031 0.000 0.972 219 S CB -0.028 63.154 63.200 -0.030 0.000 0.814 219 S HN 0.094 nan 8.310 nan 0.000 0.477 220 E N 2.260 122.436 120.200 -0.040 0.000 2.290 220 E HA 0.094 4.444 4.350 0.000 0.000 0.277 220 E C 1.130 177.716 176.600 -0.024 0.000 1.035 220 E CA -0.055 56.325 56.400 -0.033 0.000 0.873 220 E CB 0.958 30.633 29.700 -0.043 0.000 1.029 220 E HN 0.739 nan 8.360 nan 0.000 0.419 221 E N 4.751 124.942 120.200 -0.016 0.000 2.130 221 E HA -0.311 4.039 4.350 0.000 0.000 0.196 221 E C 1.697 178.293 176.600 -0.006 0.000 0.998 221 E CA 1.242 57.637 56.400 -0.009 0.000 0.806 221 E CB 0.024 29.719 29.700 -0.008 0.000 0.738 221 E HN 0.408 nan 8.360 nan 0.000 0.459 222 R N 0.246 120.740 120.500 -0.010 0.000 2.105 222 R HA -0.110 4.230 4.340 0.000 0.000 0.239 222 R C 1.611 177.909 176.300 -0.004 0.000 1.135 222 R CA 1.959 58.054 56.100 -0.007 0.000 0.967 222 R CB -0.165 30.129 30.300 -0.010 0.000 0.861 222 R HN 0.384 nan 8.270 nan 0.000 0.442 223 T N -3.565 110.982 114.554 -0.011 0.000 3.200 223 T HA 0.195 4.545 4.350 0.000 0.000 0.284 223 T C 1.186 175.886 174.700 0.001 0.000 1.009 223 T CA -0.534 61.560 62.100 -0.008 0.000 0.907 223 T CB 0.224 69.075 68.868 -0.029 0.000 1.120 223 T HN 0.197 nan 8.240 nan 0.000 0.534 224 R N 0.947 121.452 120.500 0.007 0.000 2.193 224 R HA 0.007 4.347 4.340 0.000 0.000 0.229 224 R C 1.887 178.221 176.300 0.058 0.000 1.110 224 R CA 1.188 57.302 56.100 0.024 0.000 0.988 224 R CB -0.041 30.269 30.300 0.018 0.000 0.871 224 R HN 0.298 nan 8.270 nan 0.000 0.458 225 Q N 0.073 119.904 119.800 0.052 0.000 2.402 225 Q HA 0.027 4.368 4.340 0.000 0.000 0.206 225 Q C 0.109 176.145 176.000 0.061 0.000 0.919 225 Q CA -0.011 55.834 55.803 0.070 0.000 0.923 225 Q CB 0.131 28.898 28.738 0.049 0.000 1.048 225 Q HN 0.191 nan 8.270 nan 0.000 0.515 226 L N 3.816 125.066 121.223 0.044 0.000 2.534 226 L HA 0.100 4.440 4.340 0.000 0.000 0.271 226 L C -2.342 174.550 176.870 0.037 0.000 1.178 226 L CA -1.258 53.602 54.840 0.034 0.000 0.907 226 L CB 0.197 42.273 42.059 0.028 0.000 1.164 226 L HN -0.126 nan 8.230 nan 0.000 0.482 227 P HA 0.160 nan 4.420 nan 0.000 0.268 227 P C -1.282 176.029 177.300 0.018 0.000 1.205 227 P CA -0.087 63.006 63.100 -0.012 0.000 0.771 227 P CB 0.860 32.532 31.700 -0.046 0.000 0.858 228 V N 4.114 124.047 119.914 0.031 0.000 2.577 228 V HA 0.335 4.455 4.120 0.000 0.000 0.303 228 V C -0.512 175.612 176.094 0.050 0.000 1.042 228 V CA -0.633 61.706 62.300 0.063 0.000 0.872 228 V CB 1.912 33.797 31.823 0.103 0.000 0.998 228 V HN 0.335 nan 8.190 nan 0.000 0.423 229 L N 4.840 126.089 121.223 0.043 0.000 2.313 229 L HA 0.931 5.271 4.340 0.000 0.000 0.283 229 L C 0.100 176.999 176.870 0.047 0.000 1.013 229 L CA -0.214 54.645 54.840 0.032 0.000 0.816 229 L CB 1.326 43.387 42.059 0.003 0.000 1.236 229 L HN 0.773 nan 8.230 nan 0.000 0.419 230 A N 6.300 129.151 122.820 0.050 0.000 2.318 230 A HA 0.764 5.085 4.320 0.000 0.000 0.324 230 A C -0.573 177.030 177.584 0.031 0.000 1.170 230 A CA -0.669 51.399 52.037 0.052 0.000 0.810 230 A CB 0.655 19.695 19.000 0.066 0.000 1.198 230 A HN 0.756 nan 8.150 nan 0.000 0.484 231 M N 3.125 122.736 119.600 0.019 0.000 2.146 231 M HA 0.488 4.968 4.480 0.000 0.000 0.357 231 M C -0.115 176.184 176.300 -0.001 0.000 1.261 231 M CA -0.482 54.821 55.300 0.005 0.000 1.106 231 M CB 0.957 33.554 32.600 -0.005 0.000 1.612 231 M HN 0.615 nan 8.290 nan 0.000 0.470 232 V N -1.000 118.916 119.914 0.002 0.000 3.160 232 V HA 0.627 4.747 4.120 0.000 0.000 0.310 232 V C -1.148 174.945 176.094 -0.002 0.000 1.181 232 V CA -1.027 61.273 62.300 0.001 0.000 1.047 232 V CB 2.132 33.963 31.823 0.012 0.000 1.068 232 V HN 0.722 nan 8.190 nan 0.000 0.441 233 D N 2.417 122.816 120.400 -0.003 0.000 2.317 233 D HA 0.438 5.078 4.640 0.000 0.000 0.252 233 D C -1.424 174.879 176.300 0.005 0.000 1.174 233 D CA -2.123 51.875 54.000 -0.002 0.000 0.866 233 D CB 1.887 42.683 40.800 -0.006 0.000 1.127 233 D HN 0.465 nan 8.370 nan 0.000 0.467 234 P HA -0.045 nan 4.420 nan 0.000 0.230 234 P C 0.058 177.364 177.300 0.010 0.000 1.158 234 P CA 0.647 63.753 63.100 0.011 0.000 0.769 234 P CB 0.485 32.192 31.700 0.012 0.000 0.807 235 D N -0.813 119.591 120.400 0.007 0.000 2.349 235 D HA 0.001 4.641 4.640 0.000 0.000 0.214 235 D C 0.170 176.475 176.300 0.007 0.000 1.063 235 D CA 0.525 54.529 54.000 0.007 0.000 0.847 235 D CB 0.157 40.959 40.800 0.004 0.000 0.933 235 D HN 0.141 nan 8.370 nan 0.000 0.513 236 D N 1.090 121.495 120.400 0.008 0.000 2.485 236 D HA 0.085 4.725 4.640 0.000 0.000 0.256 236 D C 1.160 177.468 176.300 0.013 0.000 1.141 236 D CA -0.347 53.658 54.000 0.008 0.000 0.942 236 D CB 0.575 41.377 40.800 0.005 0.000 1.003 236 D HN -0.119 nan 8.370 nan 0.000 0.507 237 R N 1.598 122.107 120.500 0.015 0.000 2.092 237 R HA -0.057 4.283 4.340 0.000 0.000 0.231 237 R C 1.897 178.211 176.300 0.023 0.000 1.119 237 R CA 1.513 57.625 56.100 0.019 0.000 0.970 237 R CB -0.122 30.189 30.300 0.019 0.000 0.864 237 R HN 0.403 nan 8.270 nan 0.000 0.440 238 G N 0.400 109.213 108.800 0.021 0.000 2.442 238 G HA2 -0.311 3.649 3.960 0.000 0.000 0.219 238 G HA3 -0.311 3.649 3.960 0.000 0.000 0.219 238 G C 1.535 176.450 174.900 0.024 0.000 1.141 238 G CA 0.750 45.864 45.100 0.023 0.000 0.763 238 G HN 0.310 nan 8.290 nan 0.000 0.554 239 R N -0.537 119.975 120.500 0.021 0.000 2.093 239 R HA 0.204 4.544 4.340 0.000 0.000 0.224 239 R C 2.645 178.961 176.300 0.027 0.000 1.101 239 R CA 0.740 56.853 56.100 0.021 0.000 0.979 239 R CB -0.230 30.078 30.300 0.013 0.000 0.877 239 R HN 0.337 nan 8.270 nan 0.000 0.441 240 M N -0.226 119.391 119.600 0.028 0.000 2.108 240 M HA -0.174 4.306 4.480 0.000 0.000 0.261 240 M C 2.084 178.409 176.300 0.042 0.000 1.066 240 M CA 1.454 56.775 55.300 0.035 0.000 1.107 240 M CB -0.075 32.544 32.600 0.032 0.000 1.356 240 M HN 0.048 nan 8.290 nan 0.000 0.406 241 V N 0.262 120.201 119.914 0.041 0.000 2.358 241 V HA -0.263 3.857 4.120 0.000 0.000 0.246 241 V C 2.321 178.442 176.094 0.045 0.000 1.047 241 V CA 1.707 64.035 62.300 0.047 0.000 1.035 241 V CB -0.740 31.112 31.823 0.048 0.000 0.658 241 V HN 0.443 nan 8.190 nan 0.000 0.452 242 K N 0.108 120.531 120.400 0.038 0.000 2.020 242 K HA -0.255 4.065 4.320 0.000 0.000 0.212 242 K C 2.288 178.914 176.600 0.042 0.000 1.050 242 K CA 1.767 58.076 56.287 0.036 0.000 0.929 242 K CB -0.441 32.078 32.500 0.032 0.000 0.714 242 K HN 0.444 nan 8.250 nan 0.000 0.443 243 A N 1.266 124.115 122.820 0.048 0.000 1.892 243 A HA -0.208 4.113 4.320 0.000 0.000 0.218 243 A C 2.138 179.765 177.584 0.071 0.000 1.188 243 A CA 1.621 53.695 52.037 0.061 0.000 0.631 243 A CB -0.746 18.290 19.000 0.060 0.000 0.822 243 A HN 0.318 nan 8.150 nan 0.000 0.447 244 L N -1.085 120.180 121.223 0.070 0.000 2.056 244 L HA -0.196 4.145 4.340 0.000 0.000 0.207 244 L C 2.660 179.559 176.870 0.049 0.000 1.078 244 L CA 1.634 56.522 54.840 0.080 0.000 0.749 244 L CB -0.573 41.535 42.059 0.081 0.000 0.901 244 L HN 0.501 nan 8.230 nan 0.000 0.433 245 E N 0.367 120.588 120.200 0.036 0.000 2.077 245 E HA -0.228 4.122 4.350 0.000 0.000 0.193 245 E C 2.194 178.795 176.600 0.002 0.000 0.989 245 E CA 1.564 57.972 56.400 0.014 0.000 0.800 245 E CB -0.116 29.595 29.700 0.019 0.000 0.746 245 E HN 0.627 nan 8.360 nan 0.000 0.452 246 I N -3.261 117.321 120.570 0.020 0.000 2.676 246 I HA 0.086 4.257 4.170 0.000 0.000 0.259 246 I C 1.386 177.514 176.117 0.017 0.000 1.194 246 I CA 1.434 62.745 61.300 0.017 0.000 1.473 246 I CB 0.217 38.236 38.000 0.031 0.000 1.096 246 I HN 0.154 nan 8.210 nan 0.000 0.443 247 G N 0.919 109.742 108.800 0.038 0.000 2.507 247 G HA2 -0.091 3.869 3.960 0.000 0.000 0.205 247 G HA3 -0.091 3.869 3.960 0.000 0.000 0.205 247 G C -0.001 175.033 174.900 0.223 0.000 0.996 247 G CA -0.086 45.049 45.100 0.058 0.000 0.776 247 G HN 0.156 nan 8.290 nan 0.000 0.532 248 V N 1.414 121.442 119.914 0.189 0.000 2.617 248 V HA 0.025 4.145 4.120 0.000 0.000 0.304 248 V C 1.698 177.970 176.094 0.297 0.000 1.040 248 V CA 1.334 63.756 62.300 0.203 0.000 1.149 248 V CB 0.781 32.686 31.823 0.137 0.000 0.914 248 V HN 0.451 nan 8.190 nan 0.000 0.487 249 N N 2.734 121.550 118.700 0.193 0.000 2.216 249 N HA -0.014 4.727 4.740 0.000 0.000 0.183 249 N C 0.122 175.649 175.510 0.029 0.000 1.017 249 N CA 1.030 54.075 53.050 -0.008 0.000 0.861 249 N CB 0.088 38.432 38.487 -0.239 0.000 0.986 249 N HN 0.774 nan 8.380 nan 0.000 0.428 250 D N -1.735 118.694 120.400 0.048 0.000 2.653 250 D HA 0.426 5.066 4.640 0.000 0.000 0.258 250 D C -1.478 174.850 176.300 0.046 0.000 1.252 250 D CA -0.541 53.483 54.000 0.041 0.000 0.777 250 D CB 1.629 42.431 40.800 0.003 0.000 1.339 250 D HN -0.219 nan 8.370 nan 0.000 0.422 251 I N 1.167 121.762 120.570 0.043 0.000 2.785 251 I HA 0.522 4.692 4.170 0.000 0.000 0.302 251 I C -0.841 175.292 176.117 0.027 0.000 1.069 251 I CA -0.811 60.512 61.300 0.039 0.000 1.045 251 I CB 2.171 40.198 38.000 0.045 0.000 1.236 251 I HN 0.196 nan 8.210 nan 0.000 0.429 252 L N 3.180 124.415 121.223 0.021 0.000 2.431 252 L HA 0.402 4.742 4.340 0.000 0.000 0.266 252 L C -0.412 176.464 176.870 0.010 0.000 0.978 252 L CA -0.317 54.530 54.840 0.012 0.000 0.822 252 L CB 2.324 44.385 42.059 0.004 0.000 1.310 252 L HN 0.449 nan 8.230 nan 0.000 0.409 253 S N 1.871 117.576 115.700 0.008 0.000 2.523 253 S HA 0.388 4.858 4.470 0.000 0.000 0.275 253 S C -0.034 174.566 174.600 -0.001 0.000 1.281 253 S CA -0.555 57.648 58.200 0.005 0.000 1.050 253 S CB 0.510 63.715 63.200 0.009 0.000 0.937 253 S HN 0.389 nan 8.310 nan 0.000 0.492 254 R N 3.493 123.991 120.500 -0.004 0.000 2.442 254 R HA 0.221 4.561 4.340 0.000 0.000 0.291 254 R C -2.107 174.189 176.300 -0.006 0.000 1.069 254 R CA -1.133 54.963 56.100 -0.008 0.000 1.022 254 R CB 0.051 30.344 30.300 -0.012 0.000 0.976 254 R HN 0.424 nan 8.270 nan 0.000 0.443 255 P HA 0.157 nan 4.420 nan 0.000 0.282 255 P C -0.451 176.843 177.300 -0.010 0.000 1.249 255 P CA -0.472 62.623 63.100 -0.009 0.000 0.806 255 P CB 0.811 32.505 31.700 -0.009 0.000 0.984 256 I N 2.566 123.130 120.570 -0.011 0.000 2.406 256 I HA 0.020 4.190 4.170 0.000 0.000 0.293 256 I C 0.815 176.924 176.117 -0.014 0.000 1.101 256 I CA -0.136 61.157 61.300 -0.012 0.000 1.334 256 I CB -0.992 37.001 38.000 -0.011 0.000 1.421 256 I HN 0.378 nan 8.210 nan 0.000 0.513 257 D N 10.728 131.118 120.400 -0.017 0.000 2.346 257 D HA 0.110 4.750 4.640 0.000 0.000 0.260 257 D C -1.398 174.888 176.300 -0.023 0.000 1.252 257 D CA -1.867 52.119 54.000 -0.023 0.000 0.895 257 D CB 1.326 42.108 40.800 -0.030 0.000 1.097 257 D HN 0.265 nan 8.370 nan 0.000 0.489 258 P HA -0.144 nan 4.420 nan 0.000 0.223 258 P C 0.974 178.263 177.300 -0.019 0.000 1.151 258 P CA 1.013 64.104 63.100 -0.016 0.000 0.787 258 P CB 0.426 32.120 31.700 -0.012 0.000 0.788 259 Q N -0.075 119.707 119.800 -0.030 0.000 2.137 259 Q HA -0.117 4.223 4.340 0.000 0.000 0.198 259 Q C 2.324 178.297 176.000 -0.046 0.000 0.960 259 Q CA 0.910 56.690 55.803 -0.038 0.000 0.847 259 Q CB -0.234 28.473 28.738 -0.052 0.000 0.915 259 Q HN 0.383 nan 8.270 nan 0.000 0.448 260 E N 0.862 121.032 120.200 -0.050 0.000 2.031 260 E HA -0.226 4.124 4.350 0.000 0.000 0.193 260 E C 2.018 178.598 176.600 -0.033 0.000 0.994 260 E CA 0.795 57.165 56.400 -0.051 0.000 0.800 260 E CB -0.009 29.662 29.700 -0.049 0.000 0.752 260 E HN 0.149 nan 8.360 nan 0.000 0.447 261 L N 0.912 122.119 121.223 -0.026 0.000 1.997 261 L HA -0.237 4.103 4.340 0.000 0.000 0.216 261 L C 2.336 179.193 176.870 -0.023 0.000 1.074 261 L CA 2.205 57.031 54.840 -0.023 0.000 0.763 261 L CB -0.951 41.096 42.059 -0.019 0.000 0.890 261 L HN 0.028 nan 8.230 nan 0.000 0.434 262 S N -0.600 115.094 115.700 -0.010 0.000 2.370 262 S HA -0.159 4.311 4.470 0.000 0.000 0.226 262 S C 2.035 176.642 174.600 0.012 0.000 1.033 262 S CA 1.143 59.352 58.200 0.015 0.000 1.011 262 S CB -0.569 62.647 63.200 0.028 0.000 0.852 262 S HN 0.721 nan 8.310 nan 0.000 0.457 263 A N 1.814 124.627 122.820 -0.011 0.000 1.898 263 A HA -0.085 4.235 4.320 0.000 0.000 0.216 263 A C 2.122 179.699 177.584 -0.012 0.000 1.181 263 A CA 1.143 53.171 52.037 -0.015 0.000 0.620 263 A CB -0.387 18.591 19.000 -0.035 0.000 0.819 263 A HN 0.473 nan 8.150 nan 0.000 0.442 264 R N -0.765 119.724 120.500 -0.019 0.000 2.115 264 R HA 0.016 4.356 4.340 0.000 0.000 0.226 264 R C 1.917 178.197 176.300 -0.033 0.000 1.100 264 R CA 1.102 57.190 56.100 -0.020 0.000 0.980 264 R CB -0.509 29.781 30.300 -0.016 0.000 0.875 264 R HN 0.356 nan 8.270 nan 0.000 0.445 265 V N 2.044 121.927 119.914 -0.051 0.000 2.343 265 V HA -0.272 3.848 4.120 0.000 0.000 0.247 265 V C 2.493 178.545 176.094 -0.071 0.000 1.051 265 V CA 1.861 64.100 62.300 -0.101 0.000 1.036 265 V CB -0.426 31.276 31.823 -0.201 0.000 0.654 265 V HN 0.315 nan 8.190 nan 0.000 0.451 266 K N -0.285 120.113 120.400 -0.004 0.000 2.026 266 K HA -0.197 4.123 4.320 0.000 0.000 0.208 266 K C 2.181 178.793 176.600 0.020 0.000 1.048 266 K CA 2.089 58.407 56.287 0.052 0.000 0.929 266 K CB -0.457 32.087 32.500 0.073 0.000 0.713 266 K HN 0.429 nan 8.250 nan 0.000 0.439 267 T N 1.405 115.960 114.554 0.002 0.000 2.665 267 T HA -0.167 4.183 4.350 0.000 0.000 0.268 267 T C 1.855 176.546 174.700 -0.015 0.000 1.035 267 T CA 1.551 63.648 62.100 -0.006 0.000 1.151 267 T CB -0.183 68.679 68.868 -0.010 0.000 0.862 267 T HN 0.322 nan 8.240 nan 0.000 0.438 268 Q N 0.235 120.017 119.800 -0.030 0.000 2.119 268 Q HA 0.119 4.459 4.340 0.000 0.000 0.201 268 Q C 2.439 178.423 176.000 -0.026 0.000 0.972 268 Q CA 0.986 56.761 55.803 -0.046 0.000 0.847 268 Q CB -0.499 28.202 28.738 -0.061 0.000 0.903 268 Q HN 0.552 nan 8.270 nan 0.000 0.433 269 I N 0.545 121.108 120.570 -0.011 0.000 2.394 269 I HA -0.266 3.904 4.170 0.000 0.000 0.251 269 I C 2.541 178.679 176.117 0.035 0.000 1.136 269 I CA 1.010 62.319 61.300 0.014 0.000 1.425 269 I CB -0.121 37.899 38.000 0.033 0.000 1.079 269 I HN 0.268 nan 8.210 nan 0.000 0.425 270 Q N 0.573 120.393 119.800 0.032 0.000 2.245 270 Q HA -0.137 4.204 4.340 0.000 0.000 0.201 270 Q C 2.333 178.371 176.000 0.064 0.000 0.955 270 Q CA 0.928 56.755 55.803 0.040 0.000 0.870 270 Q CB 0.186 28.936 28.738 0.020 0.000 0.945 270 Q HN 0.347 nan 8.270 nan 0.000 0.461 271 R N 0.119 120.649 120.500 0.051 0.000 2.093 271 R HA -0.101 4.239 4.340 0.000 0.000 0.224 271 R C 2.170 178.536 176.300 0.110 0.000 1.101 271 R CA 1.357 57.510 56.100 0.088 0.000 0.979 271 R CB 0.113 30.431 30.300 0.031 0.000 0.877 271 R HN -0.005 nan 8.270 nan 0.000 0.441 272 K N 0.731 121.165 120.400 0.055 0.000 2.097 272 K HA -0.110 4.210 4.320 0.000 0.000 0.205 272 K C 1.826 178.471 176.600 0.075 0.000 1.050 272 K CA 1.448 57.764 56.287 0.048 0.000 0.938 272 K CB -0.052 32.460 32.500 0.020 0.000 0.718 272 K HN 0.009 nan 8.250 nan 0.000 0.442 273 R N -1.085 119.470 120.500 0.092 0.000 2.092 273 R HA -0.108 4.232 4.340 0.000 0.000 0.231 273 R C 2.161 178.559 176.300 0.164 0.000 1.119 273 R CA 1.358 57.521 56.100 0.104 0.000 0.970 273 R CB -0.493 29.858 30.300 0.085 0.000 0.864 273 R HN 0.296 nan 8.270 nan 0.000 0.440 274 Y N 1.634 121.968 120.300 0.057 0.000 2.224 274 Y HA -0.230 4.320 4.550 0.000 0.000 0.289 274 Y C 2.434 178.417 175.900 0.138 0.000 1.146 274 Y CA 1.893 60.049 58.100 0.093 0.000 1.182 274 Y CB -0.478 38.025 38.460 0.071 0.000 0.983 274 Y HN 0.090 nan 8.280 nan 0.000 0.524 275 T N -3.472 111.081 114.554 -0.002 0.000 3.067 275 T HA -0.043 4.307 4.350 0.000 0.000 0.261 275 T C 1.303 175.963 174.700 -0.067 0.000 1.110 275 T CA 1.186 63.222 62.100 -0.107 0.000 1.113 275 T CB -0.236 68.633 68.868 0.001 0.000 0.917 275 T HN 0.189 nan 8.240 nan 0.000 0.499 276 D N -0.129 120.273 120.400 0.004 0.000 2.289 276 D HA 0.085 4.726 4.640 0.000 0.000 0.207 276 D C 1.388 177.713 176.300 0.041 0.000 0.966 276 D CA 0.335 54.346 54.000 0.018 0.000 0.868 276 D CB -0.369 40.456 40.800 0.042 0.000 0.943 276 D HN 0.429 nan 8.370 nan 0.000 0.514 277 Y N 1.578 121.829 120.300 -0.082 0.000 2.145 277 Y HA -0.143 4.407 4.550 0.000 0.000 0.286 277 Y C 1.966 177.795 175.900 -0.118 0.000 1.145 277 Y CA 1.331 59.385 58.100 -0.075 0.000 1.148 277 Y CB -0.435 37.996 38.460 -0.048 0.000 0.981 277 Y HN -0.095 nan 8.280 nan 0.000 0.507 278 L N -0.389 120.689 121.223 -0.243 0.000 2.017 278 L HA -0.245 4.096 4.340 0.000 0.000 0.208 278 L C 2.723 179.469 176.870 -0.206 0.000 1.073 278 L CA 1.604 56.260 54.840 -0.307 0.000 0.745 278 L CB -0.573 41.300 42.059 -0.310 0.000 0.894 278 L HN 0.114 nan 8.230 nan 0.000 0.432 279 R N 0.140 120.560 120.500 -0.133 0.000 2.091 279 R HA -0.168 4.172 4.340 0.000 0.000 0.238 279 R C 2.006 178.259 176.300 -0.078 0.000 1.136 279 R CA 1.945 57.995 56.100 -0.084 0.000 0.959 279 R CB -0.422 29.849 30.300 -0.048 0.000 0.856 279 R HN 0.573 nan 8.270 nan 0.000 0.437 280 N N -0.013 118.635 118.700 -0.086 0.000 2.171 280 N HA -0.082 4.658 4.740 0.000 0.000 0.184 280 N C 1.422 176.887 175.510 -0.075 0.000 1.021 280 N CA 0.516 53.529 53.050 -0.061 0.000 0.854 280 N CB -0.067 38.397 38.487 -0.038 0.000 0.994 280 N HN 0.177 nan 8.380 nan 0.000 0.426 281 N N 1.832 120.419 118.700 -0.188 0.000 2.104 281 N HA -0.162 4.578 4.740 0.000 0.000 0.190 281 N C 1.832 177.285 175.510 -0.096 0.000 1.024 281 N CA 0.672 53.613 53.050 -0.182 0.000 0.853 281 N CB -0.508 37.747 38.487 -0.386 0.000 1.008 281 N HN 0.272 nan 8.380 nan 0.000 0.424 282 L N 1.015 122.174 121.223 -0.105 0.000 2.042 282 L HA -0.195 4.145 4.340 0.000 0.000 0.210 282 L C 1.173 178.021 176.870 -0.036 0.000 1.076 282 L CA 1.722 56.520 54.840 -0.070 0.000 0.749 282 L CB -0.158 41.861 42.059 -0.067 0.000 0.893 282 L HN 0.002 nan 8.230 nan 0.000 0.432 283 D N -1.692 118.698 120.400 -0.017 0.000 2.194 283 D HA -0.175 4.465 4.640 0.000 0.000 0.204 283 D C 1.938 178.276 176.300 0.062 0.000 0.964 283 D CA 0.870 54.877 54.000 0.011 0.000 0.846 283 D CB -0.093 40.711 40.800 0.007 0.000 0.962 283 D HN 0.435 nan 8.370 nan 0.000 0.490 284 H N 0.692 119.733 119.070 -0.048 0.000 2.423 284 H HA -0.039 4.518 4.556 0.000 0.000 0.297 284 H C 1.897 177.209 175.328 -0.028 0.000 1.075 284 H CA 1.881 57.908 56.048 -0.035 0.000 1.342 284 H CB -0.083 29.655 29.762 -0.040 0.000 1.395 284 H HN 0.056 nan 8.280 nan 0.000 0.530 285 S N -0.164 115.457 115.700 -0.132 0.000 2.387 285 S HA -0.074 4.396 4.470 0.000 0.000 0.226 285 S C 2.333 176.868 174.600 -0.108 0.000 1.026 285 S CA 0.961 59.050 58.200 -0.185 0.000 0.972 285 S CB -0.638 62.489 63.200 -0.122 0.000 0.814 285 S HN 0.410 nan 8.310 nan 0.000 0.477 286 L N 1.216 122.407 121.223 -0.054 0.000 2.083 286 L HA -0.076 4.264 4.340 0.000 0.000 0.209 286 L C 2.936 179.800 176.870 -0.011 0.000 1.083 286 L CA 1.603 56.427 54.840 -0.027 0.000 0.752 286 L CB -0.677 41.374 42.059 -0.014 0.000 0.899 286 L HN 0.450 nan 8.230 nan 0.000 0.433 287 E N 0.228 120.432 120.200 0.006 0.000 2.085 287 E HA -0.249 4.101 4.350 0.000 0.000 0.194 287 E C 2.232 178.846 176.600 0.023 0.000 0.994 287 E CA 1.136 57.560 56.400 0.040 0.000 0.801 287 E CB -0.122 29.648 29.700 0.117 0.000 0.743 287 E HN 0.465 nan 8.360 nan 0.000 0.453 288 L N 0.688 121.889 121.223 -0.037 0.000 2.465 288 L HA -0.017 4.324 4.340 0.000 0.000 0.224 288 L C 0.986 177.851 176.870 -0.008 0.000 1.145 288 L CA -0.308 54.510 54.840 -0.037 0.000 0.834 288 L CB -0.179 41.807 42.059 -0.121 0.000 0.944 288 L HN -0.009 nan 8.230 nan 0.000 0.451 289 A N -0.085 122.731 122.820 -0.006 0.000 2.488 289 A HA 0.271 4.591 4.320 0.000 0.000 0.249 289 A C 1.073 178.678 177.584 0.036 0.000 1.083 289 A CA 0.262 52.301 52.037 0.004 0.000 0.768 289 A CB 0.454 19.454 19.000 -0.000 0.000 1.017 289 A HN 0.163 nan 8.150 nan 0.000 0.496 290 V N 0.554 120.482 119.914 0.023 0.000 3.570 290 V HA 0.184 4.304 4.120 0.000 0.000 0.257 290 V C 0.876 176.999 176.094 0.048 0.000 1.272 290 V CA 1.082 63.399 62.300 0.028 0.000 1.079 290 V CB -0.964 30.804 31.823 -0.092 0.000 0.829 290 V HN 0.985 nan 8.190 nan 0.000 0.454 291 T N -0.894 113.664 114.554 0.007 0.000 2.945 291 T HA 0.553 4.904 4.350 0.000 0.000 0.286 291 T C -0.716 173.987 174.700 0.005 0.000 1.025 291 T CA -0.229 61.861 62.100 -0.016 0.000 1.039 291 T CB 1.998 70.812 68.868 -0.089 0.000 1.068 291 T HN 0.325 nan 8.240 nan 0.000 0.497 292 D N 0.710 121.116 120.400 0.010 0.000 2.317 292 D HA 0.139 4.779 4.640 0.000 0.000 0.252 292 D C 1.293 177.600 176.300 0.013 0.000 1.174 292 D CA -0.246 53.764 54.000 0.016 0.000 0.866 292 D CB 1.239 42.055 40.800 0.027 0.000 1.127 292 D HN 0.676 nan 8.370 nan 0.000 0.467 293 Q N 2.885 122.692 119.800 0.012 0.000 2.030 293 Q HA -0.198 4.142 4.340 0.000 0.000 0.204 293 Q C 1.672 177.689 176.000 0.029 0.000 0.986 293 Q CA 1.333 57.145 55.803 0.015 0.000 0.843 293 Q CB -0.041 28.706 28.738 0.015 0.000 0.904 293 Q HN 0.712 nan 8.270 nan 0.000 0.420 294 L N 0.056 121.305 121.223 0.043 0.000 1.976 294 L HA -0.157 4.183 4.340 0.000 0.000 0.209 294 L C 2.449 179.366 176.870 0.078 0.000 1.071 294 L CA 2.557 57.437 54.840 0.066 0.000 0.746 294 L CB -0.723 41.384 42.059 0.081 0.000 0.890 294 L HN 0.463 nan 8.230 nan 0.000 0.432 295 T N -4.471 110.138 114.554 0.092 0.000 3.051 295 T HA 0.265 4.615 4.350 0.000 0.000 0.255 295 T C 1.599 176.336 174.700 0.061 0.000 1.085 295 T CA 0.479 62.650 62.100 0.117 0.000 1.109 295 T CB -0.051 68.943 68.868 0.211 0.000 0.921 295 T HN 0.640 nan 8.240 nan 0.000 0.488 296 G N 1.529 110.345 108.800 0.025 0.000 2.220 296 G HA2 -0.264 3.696 3.960 0.000 0.000 0.269 296 G HA3 -0.264 3.696 3.960 0.000 0.000 0.269 296 G C 0.163 175.015 174.900 -0.080 0.000 0.977 296 G CA 0.457 45.540 45.100 -0.029 0.000 0.634 296 G HN 0.642 nan 8.290 nan 0.000 0.539 297 L N 0.679 121.887 121.223 -0.025 0.000 2.456 297 L HA 0.226 4.566 4.340 0.000 0.000 0.266 297 L C 1.455 178.282 176.870 -0.072 0.000 1.258 297 L CA -0.606 54.210 54.840 -0.040 0.000 0.823 297 L CB 0.132 42.260 42.059 0.115 0.000 1.100 297 L HN 0.186 nan 8.230 nan 0.000 0.531 298 H N 0.605 119.695 119.070 0.033 0.000 2.707 298 H HA 0.070 4.626 4.556 0.000 0.000 0.359 298 H C -0.319 175.053 175.328 0.072 0.000 1.113 298 H CA -0.490 55.565 56.048 0.011 0.000 1.422 298 H CB 0.607 30.396 29.762 0.044 0.000 1.443 298 H HN 0.508 nan 8.280 nan 0.000 0.591 299 N N 0.420 119.248 118.700 0.213 0.000 2.408 299 N HA 0.019 4.759 4.740 0.000 0.000 0.260 299 N C 1.069 176.682 175.510 0.171 0.000 1.242 299 N CA -0.666 52.469 53.050 0.142 0.000 0.959 299 N CB 0.976 39.515 38.487 0.087 0.000 1.201 299 N HN 0.518 nan 8.380 nan 0.000 0.511 300 R N -0.114 120.444 120.500 0.097 0.000 2.148 300 R HA 0.068 4.408 4.340 0.000 0.000 0.223 300 R C 1.926 178.278 176.300 0.086 0.000 1.088 300 R CA 0.971 57.133 56.100 0.103 0.000 0.985 300 R CB -0.339 29.953 30.300 -0.013 0.000 0.880 300 R HN 0.692 nan 8.270 nan 0.000 0.451 301 R N -0.494 120.048 120.500 0.071 0.000 2.080 301 R HA -0.234 4.106 4.340 0.000 0.000 0.236 301 R C 1.911 178.256 176.300 0.076 0.000 1.137 301 R CA 1.907 58.043 56.100 0.060 0.000 0.943 301 R CB -0.670 29.667 30.300 0.061 0.000 0.846 301 R HN 0.413 nan 8.270 nan 0.000 0.431 302 Y N 0.840 121.145 120.300 0.008 0.000 2.165 302 Y HA -0.303 4.247 4.550 0.000 0.000 0.286 302 Y C 2.401 178.278 175.900 -0.039 0.000 1.155 302 Y CA 2.242 60.327 58.100 -0.026 0.000 1.164 302 Y CB -0.222 38.211 38.460 -0.044 0.000 0.978 302 Y HN 0.122 nan 8.280 nan 0.000 0.513 303 M N 0.009 119.649 119.600 0.066 0.000 2.086 303 M HA -0.188 4.292 4.480 0.000 0.000 0.261 303 M C 2.244 178.510 176.300 -0.057 0.000 1.067 303 M CA 2.623 57.927 55.300 0.006 0.000 1.116 303 M CB -1.086 31.598 32.600 0.141 0.000 1.348 303 M HN 0.518 nan 8.290 nan 0.000 0.407 304 T N -2.180 112.371 114.554 -0.005 0.000 2.867 304 T HA -0.026 4.324 4.350 0.000 0.000 0.268 304 T C 1.929 176.589 174.700 -0.068 0.000 1.057 304 T CA 1.414 63.509 62.100 -0.009 0.000 1.136 304 T CB -1.273 67.612 68.868 0.028 0.000 0.874 304 T HN 0.490 nan 8.240 nan 0.000 0.466 305 G N 1.142 109.869 108.800 -0.120 0.000 2.459 305 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 305 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 305 G C 1.749 176.538 174.900 -0.186 0.000 1.183 305 G CA 0.638 45.648 45.100 -0.151 0.000 0.776 305 G HN 0.438 nan 8.290 nan 0.000 0.552 306 Q N -0.312 119.312 119.800 -0.294 0.000 2.124 306 Q HA -0.039 4.301 4.340 0.000 0.000 0.202 306 Q C 2.580 178.500 176.000 -0.134 0.000 0.977 306 Q CA 0.793 56.447 55.803 -0.248 0.000 0.850 306 Q CB -0.519 28.022 28.738 -0.327 0.000 0.901 306 Q HN 0.461 nan 8.270 nan 0.000 0.429 307 L N 1.303 122.464 121.223 -0.104 0.000 2.141 307 L HA -0.136 4.204 4.340 0.000 0.000 0.209 307 L C 1.274 178.115 176.870 -0.049 0.000 1.094 307 L CA 1.655 56.460 54.840 -0.058 0.000 0.763 307 L CB -0.390 41.648 42.059 -0.034 0.000 0.908 307 L HN 0.012 nan 8.230 nan 0.000 0.437 308 D N -1.016 119.351 120.400 -0.055 0.000 2.084 308 D HA -0.151 4.489 4.640 0.000 0.000 0.194 308 D C 2.302 178.578 176.300 -0.041 0.000 0.990 308 D CA 1.644 55.618 54.000 -0.042 0.000 0.826 308 D CB -0.180 40.595 40.800 -0.042 0.000 0.971 308 D HN 0.284 nan 8.370 nan 0.000 0.453 309 S N 0.137 115.805 115.700 -0.053 0.000 2.356 309 S HA -0.104 4.366 4.470 0.000 0.000 0.223 309 S C 2.181 176.759 174.600 -0.037 0.000 1.032 309 S CA 0.681 58.854 58.200 -0.045 0.000 1.005 309 S CB -0.370 62.797 63.200 -0.055 0.000 0.867 309 S HN 0.223 nan 8.310 nan 0.000 0.449 310 L N 1.037 122.236 121.223 -0.041 0.000 2.093 310 L HA -0.053 4.287 4.340 0.000 0.000 0.208 310 L C 2.294 179.150 176.870 -0.024 0.000 1.085 310 L CA 0.734 55.556 54.840 -0.031 0.000 0.755 310 L CB -0.601 41.438 42.059 -0.032 0.000 0.904 310 L HN 0.190 nan 8.230 nan 0.000 0.435 311 V N -0.259 119.641 119.914 -0.025 0.000 2.453 311 V HA -0.231 3.889 4.120 0.000 0.000 0.247 311 V C 2.529 178.613 176.094 -0.016 0.000 1.048 311 V CA 1.481 63.769 62.300 -0.019 0.000 1.049 311 V CB -0.383 31.428 31.823 -0.019 0.000 0.672 311 V HN 0.393 nan 8.190 nan 0.000 0.457 312 K N 0.513 120.902 120.400 -0.018 0.000 2.002 312 K HA -0.242 4.078 4.320 0.000 0.000 0.209 312 K C 2.400 178.993 176.600 -0.012 0.000 1.048 312 K CA 1.895 58.173 56.287 -0.014 0.000 0.930 312 K CB -0.196 32.294 32.500 -0.016 0.000 0.714 312 K HN 0.292 nan 8.250 nan 0.000 0.438 313 R N 0.169 120.661 120.500 -0.014 0.000 2.105 313 R HA -0.154 4.186 4.340 0.000 0.000 0.239 313 R C 2.061 178.355 176.300 -0.009 0.000 1.135 313 R CA 1.467 57.561 56.100 -0.011 0.000 0.967 313 R CB -0.315 29.977 30.300 -0.012 0.000 0.861 313 R HN 0.294 nan 8.270 nan 0.000 0.442 314 A N 0.236 123.050 122.820 -0.010 0.000 1.877 314 A HA -0.197 4.123 4.320 0.000 0.000 0.216 314 A C 2.275 179.856 177.584 -0.005 0.000 1.186 314 A CA 2.174 54.206 52.037 -0.008 0.000 0.620 314 A CB -1.221 17.773 19.000 -0.009 0.000 0.822 314 A HN 0.664 nan 8.150 nan 0.000 0.443 315 T N -1.680 112.870 114.554 -0.006 0.000 2.833 315 T HA -0.002 4.348 4.350 0.000 0.000 0.269 315 T C 1.399 176.098 174.700 -0.003 0.000 1.054 315 T CA 1.391 63.489 62.100 -0.004 0.000 1.135 315 T CB -0.458 68.407 68.868 -0.004 0.000 0.869 315 T HN 0.282 nan 8.240 nan 0.000 0.466 316 L N 0.715 121.935 121.223 -0.004 0.000 2.645 316 L HA 0.432 4.772 4.340 0.000 0.000 0.234 316 L C 1.896 178.765 176.870 -0.003 0.000 1.165 316 L CA 0.359 55.197 54.840 -0.003 0.000 0.944 316 L CB -0.341 41.716 42.059 -0.004 0.000 1.149 316 L HN 0.666 nan 8.230 nan 0.000 0.446 317 G N -0.915 107.883 108.800 -0.002 0.000 2.211 317 G HA2 -0.191 3.769 3.960 0.000 0.000 0.201 317 G HA3 -0.191 3.769 3.960 0.000 0.000 0.201 317 G C 0.578 175.477 174.900 -0.002 0.000 0.997 317 G CA -0.337 44.762 45.100 -0.002 0.000 0.652 317 G HN 0.465 nan 8.290 nan 0.000 0.500 318 G N -0.143 108.655 108.800 -0.003 0.000 2.489 318 G HA2 0.446 4.406 3.960 0.000 0.000 0.271 318 G HA3 0.446 4.406 3.960 0.000 0.000 0.271 318 G C -0.193 174.705 174.900 -0.004 0.000 1.427 318 G CA 0.218 45.316 45.100 -0.004 0.000 1.057 318 G HN 0.203 nan 8.290 nan 0.000 0.532 319 D N 1.287 121.685 120.400 -0.004 0.000 2.423 319 D HA 0.202 4.842 4.640 0.000 0.000 0.238 319 D C -1.725 174.572 176.300 -0.005 0.000 1.142 319 D CA -0.275 53.722 54.000 -0.004 0.000 0.884 319 D CB 0.883 41.681 40.800 -0.004 0.000 1.199 319 D HN 0.058 nan 8.370 nan 0.000 0.438 320 P HA 0.153 nan 4.420 nan 0.000 0.276 320 P C -0.640 176.656 177.300 -0.006 0.000 1.244 320 P CA -0.431 62.666 63.100 -0.004 0.000 0.801 320 P CB 0.889 32.587 31.700 -0.003 0.000 1.006 321 V N 0.674 120.584 119.914 -0.008 0.000 2.735 321 V HA 0.453 4.573 4.120 0.000 0.000 0.310 321 V C 0.182 176.270 176.094 -0.010 0.000 1.061 321 V CA -0.438 61.857 62.300 -0.009 0.000 0.913 321 V CB 1.830 33.645 31.823 -0.013 0.000 1.005 321 V HN 0.549 nan 8.190 nan 0.000 0.428 322 S N 1.791 117.486 115.700 -0.009 0.000 2.607 322 S HA 0.924 5.394 4.470 0.000 0.000 0.303 322 S C -0.276 174.316 174.600 -0.014 0.000 1.086 322 S CA -0.465 57.729 58.200 -0.010 0.000 0.995 322 S CB 1.962 65.158 63.200 -0.006 0.000 1.084 322 S HN 1.195 nan 8.310 nan 0.000 0.507 323 A N 1.546 124.354 122.820 -0.020 0.000 2.393 323 A HA 0.766 5.086 4.320 0.000 0.000 0.306 323 A C -1.679 175.889 177.584 -0.027 0.000 1.050 323 A CA -0.530 51.490 52.037 -0.029 0.000 0.724 323 A CB 0.598 19.567 19.000 -0.051 0.000 1.248 323 A HN 0.529 nan 8.150 nan 0.000 0.424 324 L N 2.025 123.237 121.223 -0.018 0.000 2.307 324 L HA 0.573 4.913 4.340 0.000 0.000 0.284 324 L C -0.571 176.287 176.870 -0.021 0.000 1.023 324 L CA -0.400 54.437 54.840 -0.006 0.000 0.810 324 L CB 1.362 43.434 42.059 0.022 0.000 1.231 324 L HN 0.648 nan 8.230 nan 0.000 0.423 325 L N 5.713 126.918 121.223 -0.030 0.000 2.316 325 L HA 0.606 4.946 4.340 0.000 0.000 0.280 325 L C -0.781 176.101 176.870 0.020 0.000 1.006 325 L CA 0.035 54.845 54.840 -0.050 0.000 0.836 325 L CB 0.764 42.753 42.059 -0.117 0.000 1.221 325 L HN 0.424 nan 8.230 nan 0.000 0.418 326 I N 4.730 125.355 120.570 0.091 0.000 2.377 326 I HA 0.419 4.589 4.170 0.000 0.000 0.293 326 I C -0.613 175.572 176.117 0.113 0.000 0.987 326 I CA -0.360 61.014 61.300 0.125 0.000 1.185 326 I CB 1.639 39.784 38.000 0.241 0.000 1.341 326 I HN 0.547 nan 8.210 nan 0.000 0.455 327 D N 7.636 128.049 120.400 0.022 0.000 2.757 327 D HA 0.380 5.020 4.640 0.000 0.000 0.249 327 D C -0.561 175.674 176.300 -0.107 0.000 1.168 327 D CA -0.450 53.535 54.000 -0.026 0.000 0.870 327 D CB 1.951 42.737 40.800 -0.022 0.000 1.411 327 D HN 0.308 nan 8.370 nan 0.000 0.525 328 I N 2.367 122.835 120.570 -0.171 0.000 2.634 328 I HA 0.033 4.203 4.170 0.000 0.000 0.284 328 I C 0.391 176.435 176.117 -0.123 0.000 1.124 328 I CA -0.217 60.960 61.300 -0.205 0.000 1.417 328 I CB 0.632 38.473 38.000 -0.265 0.000 1.396 328 I HN 0.202 nan 8.210 nan 0.000 0.571 329 D N 6.495 126.813 120.400 -0.137 0.000 2.264 329 D HA 0.210 4.850 4.640 0.000 0.000 0.250 329 D C 0.129 176.368 176.300 -0.102 0.000 1.113 329 D CA -0.066 53.768 54.000 -0.277 0.000 0.871 329 D CB 0.864 41.458 40.800 -0.343 0.000 1.167 329 D HN 0.365 nan 8.370 nan 0.000 0.447 330 F N 0.358 120.333 119.950 0.041 0.000 3.093 330 F HA -0.264 4.263 4.527 0.000 0.000 0.287 330 F C 1.197 177.027 175.800 0.051 0.000 0.882 330 F CA -0.244 57.776 58.000 0.034 0.000 1.063 330 F CB -2.472 36.530 39.000 0.004 0.000 1.097 330 F HN 0.378 nan 8.300 nan 0.000 0.604 331 F N 0.774 120.751 119.950 0.046 0.000 2.216 331 F HA -0.122 4.405 4.527 0.000 0.000 0.300 331 F C 2.279 178.092 175.800 0.022 0.000 1.085 331 F CA 2.314 60.317 58.000 0.006 0.000 1.326 331 F CB -0.172 38.803 39.000 -0.041 0.000 1.027 331 F HN 0.123 nan 8.300 nan 0.000 0.497 332 K N 0.408 120.867 120.400 0.099 0.000 2.097 332 K HA -0.172 4.148 4.320 0.000 0.000 0.205 332 K C 2.032 178.609 176.600 -0.039 0.000 1.050 332 K CA 1.421 57.720 56.287 0.019 0.000 0.938 332 K CB -0.050 32.499 32.500 0.081 0.000 0.718 332 K HN 0.175 nan 8.250 nan 0.000 0.442 333 K N 0.386 120.796 120.400 0.017 0.000 2.147 333 K HA -0.102 4.218 4.320 0.000 0.000 0.205 333 K C 2.006 178.562 176.600 -0.073 0.000 1.049 333 K CA 1.346 57.619 56.287 -0.023 0.000 0.936 333 K CB -0.095 32.407 32.500 0.003 0.000 0.722 333 K HN 0.203 nan 8.250 nan 0.000 0.446 334 I N 1.426 121.937 120.570 -0.098 0.000 2.142 334 I HA -0.316 3.854 4.170 0.000 0.000 0.240 334 I C 1.657 177.697 176.117 -0.128 0.000 1.078 334 I CA 1.570 62.824 61.300 -0.078 0.000 1.343 334 I CB -0.515 37.314 38.000 -0.285 0.000 1.046 334 I HN 0.258 nan 8.210 nan 0.000 0.405 335 N N 0.717 119.234 118.700 -0.304 0.000 2.166 335 N HA -0.200 4.540 4.740 0.000 0.000 0.186 335 N C 1.118 176.578 175.510 -0.083 0.000 1.019 335 N CA 1.396 54.320 53.050 -0.210 0.000 0.856 335 N CB -0.080 38.254 38.487 -0.256 0.000 0.993 335 N HN 0.304 nan 8.380 nan 0.000 0.426 336 D N -1.002 119.341 120.400 -0.096 0.000 2.312 336 D HA -0.023 4.617 4.640 0.000 0.000 0.211 336 D C 1.438 177.642 176.300 -0.161 0.000 0.964 336 D CA 0.952 54.899 54.000 -0.088 0.000 0.877 336 D CB 0.037 40.793 40.800 -0.073 0.000 0.924 336 D HN 0.202 nan 8.370 nan 0.000 0.515 337 T N -1.125 113.269 114.554 -0.266 0.000 3.045 337 T HA 0.104 4.454 4.350 0.000 0.000 0.239 337 T C 1.009 175.347 174.700 -0.603 0.000 1.008 337 T CA 0.226 62.001 62.100 -0.541 0.000 1.143 337 T CB 0.051 68.375 68.868 -0.906 0.000 0.894 337 T HN 0.039 nan 8.240 nan 0.000 0.451 338 F N 1.218 121.121 119.950 -0.078 0.000 2.704 338 F HA 0.525 5.052 4.527 0.000 0.000 0.304 338 F C 1.431 177.196 175.800 -0.058 0.000 1.094 338 F CA -0.093 57.865 58.000 -0.070 0.000 1.275 338 F CB 0.159 39.108 39.000 -0.085 0.000 1.073 338 F HN 0.317 nan 8.300 nan 0.000 0.586 339 G N -0.173 108.670 108.800 0.071 0.000 2.675 339 G HA2 -0.201 3.759 3.960 0.000 0.000 0.686 339 G HA3 -0.201 3.759 3.960 0.000 0.000 0.686 339 G C 0.355 175.299 174.900 0.073 0.000 1.215 339 G CA -0.443 44.700 45.100 0.072 0.000 0.777 339 G HN 0.278 nan 8.290 nan 0.000 0.638 340 H N 0.355 119.425 119.070 -0.001 0.000 2.390 340 H HA -0.140 4.416 4.556 0.000 0.000 0.298 340 H C 2.297 177.645 175.328 0.034 0.000 1.106 340 H CA 2.319 58.374 56.048 0.012 0.000 1.297 340 H CB 0.278 30.057 29.762 0.028 0.000 1.375 340 H HN 0.593 nan 8.280 nan 0.000 0.509 341 D N 0.521 121.002 120.400 0.136 0.000 2.104 341 D HA -0.139 4.501 4.640 0.000 0.000 0.194 341 D C 2.382 178.708 176.300 0.044 0.000 0.994 341 D CA 0.792 54.847 54.000 0.091 0.000 0.830 341 D CB -0.383 40.461 40.800 0.073 0.000 0.959 341 D HN 0.411 nan 8.370 nan 0.000 0.452 342 I N 0.965 121.542 120.570 0.012 0.000 2.286 342 I HA -0.167 4.003 4.170 0.000 0.000 0.248 342 I C 2.519 178.620 176.117 -0.027 0.000 1.115 342 I CA 1.138 62.424 61.300 -0.023 0.000 1.392 342 I CB -0.523 37.462 38.000 -0.025 0.000 1.065 342 I HN 0.016 nan 8.210 nan 0.000 0.418 343 G N 0.746 109.501 108.800 -0.075 0.000 2.469 343 G HA2 -0.265 3.695 3.960 0.000 0.000 0.220 343 G HA3 -0.265 3.695 3.960 0.000 0.000 0.220 343 G C 1.191 176.179 174.900 0.148 0.000 1.136 343 G CA 1.101 46.133 45.100 -0.114 0.000 0.759 343 G HN 0.322 nan 8.290 nan 0.000 0.562 344 D N 0.285 120.753 120.400 0.114 0.000 2.194 344 D HA 0.008 4.649 4.640 0.000 0.000 0.204 344 D C 2.371 178.765 176.300 0.157 0.000 0.964 344 D CA 0.556 54.651 54.000 0.159 0.000 0.846 344 D CB -0.203 40.679 40.800 0.136 0.000 0.962 344 D HN 0.440 nan 8.370 nan 0.000 0.490 345 E N 0.326 120.597 120.200 0.120 0.000 2.085 345 E HA -0.121 4.229 4.350 0.000 0.000 0.194 345 E C 2.194 178.908 176.600 0.191 0.000 0.994 345 E CA 0.720 57.194 56.400 0.123 0.000 0.801 345 E CB 0.153 29.892 29.700 0.065 0.000 0.743 345 E HN 0.073 nan 8.360 nan 0.000 0.453 346 V N 1.441 121.472 119.914 0.196 0.000 2.295 346 V HA -0.265 3.855 4.120 0.000 0.000 0.246 346 V C 2.358 178.653 176.094 0.335 0.000 1.049 346 V CA 1.482 63.935 62.300 0.256 0.000 1.024 346 V CB -0.492 31.396 31.823 0.110 0.000 0.648 346 V HN 0.268 nan 8.190 nan 0.000 0.447 347 L N -0.590 120.822 121.223 0.316 0.000 2.012 347 L HA -0.212 4.128 4.340 0.000 0.000 0.210 347 L C 2.866 179.943 176.870 0.345 0.000 1.073 347 L CA 1.808 56.857 54.840 0.349 0.000 0.748 347 L CB -0.596 41.646 42.059 0.304 0.000 0.891 347 L HN 0.250 nan 8.230 nan 0.000 0.431 348 R N -0.194 120.459 120.500 0.255 0.000 2.073 348 R HA -0.221 4.119 4.340 0.000 0.000 0.234 348 R C 2.231 178.628 176.300 0.162 0.000 1.134 348 R CA 1.769 57.981 56.100 0.188 0.000 0.952 348 R CB -0.320 30.064 30.300 0.139 0.000 0.850 348 R HN 0.426 nan 8.270 nan 0.000 0.433 349 E N 0.448 120.771 120.200 0.204 0.000 2.077 349 E HA -0.221 4.130 4.350 0.000 0.000 0.193 349 E C 1.768 178.462 176.600 0.156 0.000 0.989 349 E CA 1.128 57.615 56.400 0.145 0.000 0.800 349 E CB -0.221 29.569 29.700 0.149 0.000 0.746 349 E HN 0.303 nan 8.360 nan 0.000 0.452 350 F N 0.955 121.029 119.950 0.207 0.000 2.126 350 F HA -0.185 4.342 4.527 0.000 0.000 0.299 350 F C 2.061 177.796 175.800 -0.109 0.000 1.096 350 F CA 1.648 59.710 58.000 0.103 0.000 1.255 350 F CB -0.331 38.679 39.000 0.017 0.000 0.997 350 F HN 0.146 nan 8.300 nan 0.000 0.479 351 A N 0.367 123.059 122.820 -0.214 0.000 1.902 351 A HA -0.144 4.177 4.320 0.000 0.000 0.217 351 A C 1.995 179.445 177.584 -0.223 0.000 1.181 351 A CA 1.720 53.604 52.037 -0.255 0.000 0.623 351 A CB -1.063 17.968 19.000 0.052 0.000 0.818 351 A HN 0.399 nan 8.150 nan 0.000 0.443 352 L N -0.236 120.911 121.223 -0.126 0.000 2.046 352 L HA -0.098 4.242 4.340 0.000 0.000 0.208 352 L C 2.609 179.386 176.870 -0.154 0.000 1.077 352 L CA 1.662 56.435 54.840 -0.111 0.000 0.747 352 L CB -0.950 41.071 42.059 -0.062 0.000 0.896 352 L HN 0.346 nan 8.230 nan 0.000 0.432 353 R N -1.066 119.324 120.500 -0.183 0.000 2.091 353 R HA -0.187 4.153 4.340 0.000 0.000 0.238 353 R C 2.153 178.307 176.300 -0.244 0.000 1.136 353 R CA 1.324 57.334 56.100 -0.149 0.000 0.959 353 R CB -0.668 29.593 30.300 -0.065 0.000 0.856 353 R HN 0.216 nan 8.270 nan 0.000 0.437 354 L N 0.774 121.736 121.223 -0.435 0.000 1.994 354 L HA -0.100 4.240 4.340 0.000 0.000 0.208 354 L C 2.342 179.064 176.870 -0.245 0.000 1.071 354 L CA 2.049 56.633 54.840 -0.428 0.000 0.745 354 L CB -0.801 40.843 42.059 -0.691 0.000 0.892 354 L HN 0.127 nan 8.230 nan 0.000 0.431 355 A N -0.853 121.843 122.820 -0.207 0.000 1.927 355 A HA -0.270 4.050 4.320 0.000 0.000 0.220 355 A C 2.276 179.792 177.584 -0.114 0.000 1.185 355 A CA 2.445 54.408 52.037 -0.124 0.000 0.639 355 A CB -1.197 17.743 19.000 -0.101 0.000 0.820 355 A HN 0.677 nan 8.150 nan 0.000 0.451 356 S N -1.636 113.984 115.700 -0.133 0.000 2.605 356 S HA 0.145 4.615 4.470 0.000 0.000 0.217 356 S C 0.705 175.211 174.600 -0.156 0.000 0.958 356 S CA 0.157 58.284 58.200 -0.121 0.000 0.919 356 S CB -0.295 62.841 63.200 -0.106 0.000 0.780 356 S HN 0.600 nan 8.310 nan 0.000 0.507 357 N N 0.598 119.186 118.700 -0.188 0.000 2.235 357 N HA 0.308 5.048 4.740 0.000 0.000 0.231 357 N C -0.997 174.429 175.510 -0.140 0.000 1.177 357 N CA 0.133 53.052 53.050 -0.219 0.000 0.874 357 N CB 1.523 39.799 38.487 -0.352 0.000 1.097 357 N HN 0.182 nan 8.380 nan 0.000 0.518 358 V N 0.828 120.680 119.914 -0.104 0.000 3.078 358 V HA 0.358 4.478 4.120 0.000 0.000 0.311 358 V C -0.271 175.794 176.094 -0.048 0.000 1.138 358 V CA -0.833 61.426 62.300 -0.067 0.000 1.007 358 V CB 3.159 34.947 31.823 -0.059 0.000 1.045 358 V HN 0.039 nan 8.190 nan 0.000 0.432 359 R N 1.485 121.967 120.500 -0.030 0.000 2.582 359 R HA 0.436 4.776 4.340 0.000 0.000 0.271 359 R C 1.350 177.645 176.300 -0.008 0.000 1.078 359 R CA 0.295 56.383 56.100 -0.020 0.000 1.127 359 R CB 0.589 30.881 30.300 -0.013 0.000 1.038 359 R HN 0.894 nan 8.270 nan 0.000 0.500 360 A N 2.415 125.232 122.820 -0.005 0.000 1.917 360 A HA -0.218 4.102 4.320 0.000 0.000 0.219 360 A C 1.917 179.514 177.584 0.023 0.000 1.182 360 A CA 1.613 53.655 52.037 0.007 0.000 0.633 360 A CB -0.464 18.539 19.000 0.005 0.000 0.819 360 A HN 0.697 nan 8.150 nan 0.000 0.448 361 I N 0.149 120.729 120.570 0.017 0.000 2.756 361 I HA -0.069 4.101 4.170 0.000 0.000 0.262 361 I C -0.192 175.943 176.117 0.029 0.000 1.225 361 I CA 0.136 61.450 61.300 0.023 0.000 1.472 361 I CB -0.419 37.589 38.000 0.013 0.000 1.094 361 I HN 0.181 nan 8.210 nan 0.000 0.454 362 D N 0.744 121.160 120.400 0.027 0.000 2.313 362 D HA 0.172 4.812 4.640 0.000 0.000 0.247 362 D C -0.201 176.137 176.300 0.063 0.000 1.094 362 D CA -0.112 53.908 54.000 0.034 0.000 0.925 362 D CB 1.464 42.276 40.800 0.019 0.000 1.188 362 D HN 0.027 nan 8.370 nan 0.000 0.430 363 L N 3.557 124.826 121.223 0.076 0.000 2.321 363 L HA 0.295 4.635 4.340 0.000 0.000 0.272 363 L C -2.464 174.487 176.870 0.135 0.000 1.050 363 L CA -1.650 53.268 54.840 0.129 0.000 0.893 363 L CB 1.330 43.454 42.059 0.109 0.000 1.272 363 L HN 0.044 nan 8.230 nan 0.000 0.435 364 P HA 0.287 nan 4.420 nan 0.000 0.288 364 P C -1.053 176.374 177.300 0.212 0.000 1.267 364 P CA -0.414 62.771 63.100 0.142 0.000 0.815 364 P CB 1.585 33.331 31.700 0.075 0.000 0.989 365 C N 2.541 121.988 119.300 0.245 0.000 3.288 365 C HA 0.761 5.221 4.460 0.000 0.000 0.318 365 C C -0.647 174.499 174.990 0.259 0.000 1.356 365 C CA -0.991 58.185 59.018 0.263 0.000 1.359 365 C CB 1.532 29.428 27.740 0.261 0.000 1.688 365 C HN 0.608 nan 8.230 nan 0.000 0.467 366 R N 1.535 122.124 120.500 0.148 0.000 2.202 366 R HA 0.441 4.781 4.340 0.000 0.000 0.334 366 R C -0.382 175.910 176.300 -0.012 0.000 1.036 366 R CA -0.106 55.949 56.100 -0.075 0.000 0.878 366 R CB 0.162 30.405 30.300 -0.096 0.000 1.067 366 R HN 0.892 nan 8.270 nan 0.000 0.457 367 Y N 2.811 122.983 120.300 -0.213 0.000 2.500 367 Y HA 0.482 5.032 4.550 0.000 0.000 0.284 367 Y C 0.557 176.378 175.900 -0.131 0.000 1.118 367 Y CA 1.021 59.051 58.100 -0.116 0.000 1.241 367 Y CB 0.883 39.300 38.460 -0.072 0.000 1.171 367 Y HN 0.663 nan 8.280 nan 0.000 0.540 368 G N -1.804 106.887 108.800 -0.180 0.000 2.682 368 G HA2 0.374 4.334 3.960 0.000 0.000 0.303 368 G HA3 0.374 4.334 3.960 0.000 0.000 0.303 368 G C 0.617 175.384 174.900 -0.221 0.000 1.341 368 G CA -0.290 44.684 45.100 -0.211 0.000 0.784 368 G HN 0.249 nan 8.290 nan 0.000 0.497 369 G N 0.192 108.896 108.800 -0.160 0.000 2.631 369 G HA2 -0.162 3.798 3.960 0.000 0.000 0.219 369 G HA3 -0.162 3.798 3.960 0.000 0.000 0.219 369 G C 1.084 175.817 174.900 -0.278 0.000 1.214 369 G CA 1.929 46.938 45.100 -0.152 0.000 0.785 369 G HN 0.942 nan 8.290 nan 0.000 0.596 370 E N -0.314 119.705 120.200 -0.302 0.000 2.603 370 E HA 0.396 4.746 4.350 0.000 0.000 0.211 370 E C -0.010 176.442 176.600 -0.247 0.000 0.995 370 E CA -0.266 55.869 56.400 -0.443 0.000 0.990 370 E CB 0.381 29.762 29.700 -0.530 0.000 1.036 370 E HN 0.449 nan 8.360 nan 0.000 0.475 371 E N 0.582 120.639 120.200 -0.239 0.000 2.191 371 E HA 0.508 4.859 4.350 0.000 0.000 0.274 371 E C -1.258 175.212 176.600 -0.216 0.000 0.948 371 E CA -0.774 55.590 56.400 -0.060 0.000 0.802 371 E CB 1.439 31.195 29.700 0.093 0.000 1.137 371 E HN 0.063 nan 8.360 nan 0.000 0.397 372 F N 0.917 120.935 119.950 0.113 0.000 2.565 372 F HA 0.470 4.997 4.527 0.000 0.000 0.313 372 F C -0.511 175.333 175.800 0.074 0.000 1.091 372 F CA -1.024 57.073 58.000 0.162 0.000 0.915 372 F CB 1.631 40.799 39.000 0.280 0.000 1.208 372 F HN 0.125 nan 8.300 nan 0.000 0.453 373 V N 3.272 123.316 119.914 0.215 0.000 2.604 373 V HA 0.572 4.692 4.120 0.000 0.000 0.305 373 V C -0.863 175.295 176.094 0.107 0.000 1.043 373 V CA -0.847 61.486 62.300 0.054 0.000 0.888 373 V CB 2.129 33.884 31.823 -0.113 0.000 0.995 373 V HN 0.496 nan 8.190 nan 0.000 0.429 374 V N 5.666 125.619 119.914 0.064 0.000 2.378 374 V HA 0.470 4.590 4.120 0.000 0.000 0.288 374 V C -0.314 175.796 176.094 0.027 0.000 1.016 374 V CA -0.553 61.782 62.300 0.058 0.000 0.840 374 V CB 1.612 33.462 31.823 0.046 0.000 0.994 374 V HN 0.568 nan 8.190 nan 0.000 0.431 375 I N 5.756 126.346 120.570 0.033 0.000 2.365 375 I HA 0.446 4.616 4.170 0.000 0.000 0.291 375 I C 0.025 176.151 176.117 0.015 0.000 1.004 375 I CA -0.375 60.934 61.300 0.014 0.000 1.311 375 I CB 1.355 39.361 38.000 0.010 0.000 1.401 375 I HN 0.556 nan 8.210 nan 0.000 0.491 376 M N 8.266 127.869 119.600 0.005 0.000 2.046 376 M HA 0.360 4.840 4.480 0.000 0.000 0.309 376 M C -2.452 173.848 176.300 0.000 0.000 0.935 376 M CA -1.522 53.781 55.300 0.004 0.000 0.915 376 M CB 1.876 34.477 32.600 0.002 0.000 1.474 376 M HN 0.214 nan 8.290 nan 0.000 0.415 377 P HA 0.073 nan 4.420 nan 0.000 0.272 377 P C -0.311 176.988 177.300 -0.002 0.000 1.223 377 P CA 0.144 63.243 63.100 -0.002 0.000 0.784 377 P CB 0.471 32.171 31.700 -0.001 0.000 0.923 378 D N -0.510 119.888 120.400 -0.003 0.000 2.689 378 D HA -0.148 4.492 4.640 0.000 0.000 0.237 378 D C -1.109 175.190 176.300 -0.002 0.000 1.148 378 D CA 1.211 55.209 54.000 -0.003 0.000 0.656 378 D CB -1.530 39.269 40.800 -0.002 0.000 1.050 378 D HN 0.278 nan 8.370 nan 0.000 0.426 379 T N -0.316 114.236 114.554 -0.003 0.000 2.933 379 T HA 0.787 5.137 4.350 0.000 0.000 0.305 379 T C -0.302 174.397 174.700 -0.002 0.000 1.092 379 T CA -0.059 62.040 62.100 -0.002 0.000 1.008 379 T CB 1.809 70.676 68.868 -0.002 0.000 1.102 379 T HN 0.354 nan 8.240 nan 0.000 0.469 380 A N 1.574 124.394 122.820 -0.001 0.000 2.288 380 A HA 0.776 5.096 4.320 0.000 0.000 0.328 380 A C 1.248 178.832 177.584 0.000 0.000 1.123 380 A CA -0.631 51.406 52.037 -0.000 0.000 0.861 380 A CB 0.479 19.480 19.000 0.001 0.000 1.272 380 A HN 0.806 nan 8.150 nan 0.000 0.490 381 L N 0.987 122.211 121.223 0.001 0.000 2.021 381 L HA -0.218 4.122 4.340 0.000 0.000 0.215 381 L C 2.570 179.442 176.870 0.003 0.000 1.074 381 L CA 3.213 58.054 54.840 0.002 0.000 0.760 381 L CB -0.843 41.218 42.059 0.004 0.000 0.889 381 L HN 0.814 nan 8.230 nan 0.000 0.433 382 A N -1.244 121.578 122.820 0.003 0.000 1.902 382 A HA -0.209 4.111 4.320 0.000 0.000 0.217 382 A C 2.030 179.616 177.584 0.003 0.000 1.181 382 A CA 1.825 53.864 52.037 0.004 0.000 0.623 382 A CB -0.794 18.208 19.000 0.004 0.000 0.818 382 A HN 0.535 nan 8.150 nan 0.000 0.443 383 D N 0.029 120.430 120.400 0.002 0.000 2.144 383 D HA -0.028 4.612 4.640 0.000 0.000 0.200 383 D C 2.243 178.544 176.300 0.001 0.000 0.978 383 D CA 1.426 55.426 54.000 0.001 0.000 0.833 383 D CB -0.416 40.384 40.800 -0.001 0.000 0.961 383 D HN 0.407 nan 8.370 nan 0.000 0.470 384 A N 0.745 123.566 122.820 0.001 0.000 1.908 384 A HA -0.142 4.178 4.320 0.000 0.000 0.218 384 A C 2.392 179.979 177.584 0.005 0.000 1.181 384 A CA 0.937 52.976 52.037 0.002 0.000 0.627 384 A CB -0.807 18.193 19.000 0.001 0.000 0.818 384 A HN 0.217 nan 8.150 nan 0.000 0.445 385 L N -1.275 119.951 121.223 0.006 0.000 2.042 385 L HA -0.214 4.126 4.340 0.000 0.000 0.210 385 L C 2.863 179.739 176.870 0.010 0.000 1.076 385 L CA 1.556 56.401 54.840 0.008 0.000 0.749 385 L CB -0.461 41.603 42.059 0.008 0.000 0.893 385 L HN 0.371 nan 8.230 nan 0.000 0.432 386 R N 0.103 120.607 120.500 0.007 0.000 2.083 386 R HA -0.167 4.173 4.340 0.000 0.000 0.237 386 R C 2.285 178.589 176.300 0.007 0.000 1.137 386 R CA 1.618 57.722 56.100 0.007 0.000 0.951 386 R CB -0.360 29.942 30.300 0.003 0.000 0.851 386 R HN 0.329 nan 8.270 nan 0.000 0.434 387 I N 0.129 120.702 120.570 0.004 0.000 2.286 387 I HA -0.250 3.921 4.170 0.000 0.000 0.248 387 I C 2.556 178.679 176.117 0.010 0.000 1.115 387 I CA 1.138 62.438 61.300 0.001 0.000 1.392 387 I CB -0.411 37.587 38.000 -0.002 0.000 1.065 387 I HN 0.226 nan 8.210 nan 0.000 0.418 388 A N 1.165 123.995 122.820 0.016 0.000 1.858 388 A HA -0.228 4.092 4.320 0.000 0.000 0.216 388 A C 2.164 179.769 177.584 0.035 0.000 1.190 388 A CA 1.817 53.871 52.037 0.027 0.000 0.617 388 A CB -0.713 18.302 19.000 0.024 0.000 0.827 388 A HN 0.480 nan 8.150 nan 0.000 0.443 389 E N -0.410 119.806 120.200 0.028 0.000 2.086 389 E HA -0.298 4.052 4.350 0.000 0.000 0.200 389 E C 2.202 178.826 176.600 0.041 0.000 1.012 389 E CA 1.655 58.074 56.400 0.031 0.000 0.812 389 E CB -0.327 29.386 29.700 0.023 0.000 0.743 389 E HN 0.662 nan 8.360 nan 0.000 0.453 390 R N 0.899 121.418 120.500 0.032 0.000 2.081 390 R HA -0.132 4.208 4.340 0.000 0.000 0.235 390 R C 2.273 178.610 176.300 0.062 0.000 1.131 390 R CA 1.379 57.499 56.100 0.033 0.000 0.960 390 R CB -0.189 30.114 30.300 0.005 0.000 0.856 390 R HN 0.185 nan 8.270 nan 0.000 0.436 391 I N 0.194 120.798 120.570 0.057 0.000 2.252 391 I HA -0.213 3.957 4.170 0.000 0.000 0.245 391 I C 2.815 179.020 176.117 0.147 0.000 1.102 391 I CA 0.952 62.307 61.300 0.092 0.000 1.385 391 I CB -0.306 37.734 38.000 0.067 0.000 1.064 391 I HN 0.221 nan 8.210 nan 0.000 0.414 392 R N 0.842 121.408 120.500 0.110 0.000 2.083 392 R HA -0.177 4.163 4.340 0.000 0.000 0.237 392 R C 2.323 178.686 176.300 0.106 0.000 1.137 392 R CA 1.755 57.917 56.100 0.104 0.000 0.951 392 R CB -0.181 30.160 30.300 0.067 0.000 0.851 392 R HN 0.278 nan 8.270 nan 0.000 0.434 393 M N -1.398 118.260 119.600 0.096 0.000 2.229 393 M HA -0.148 4.332 4.480 0.000 0.000 0.264 393 M C 2.063 178.424 176.300 0.101 0.000 1.063 393 M CA 1.471 56.822 55.300 0.084 0.000 1.114 393 M CB -0.260 32.381 32.600 0.068 0.000 1.387 393 M HN 0.269 nan 8.290 nan 0.000 0.420 394 H N -0.225 118.869 119.070 0.040 0.000 2.357 394 H HA -0.116 4.440 4.556 0.000 0.000 0.301 394 H C 1.961 177.327 175.328 0.063 0.000 1.082 394 H CA 1.947 58.013 56.048 0.031 0.000 1.342 394 H CB -0.063 29.704 29.762 0.008 0.000 1.389 394 H HN 0.161 nan 8.280 nan 0.000 0.511 395 V N 0.204 120.184 119.914 0.110 0.000 2.261 395 V HA -0.212 3.908 4.120 0.000 0.000 0.246 395 V C 2.266 178.451 176.094 0.151 0.000 1.047 395 V CA 2.813 65.220 62.300 0.179 0.000 1.015 395 V CB -0.874 31.134 31.823 0.309 0.000 0.642 395 V HN 0.722 nan 8.190 nan 0.000 0.446 396 S N -0.101 115.663 115.700 0.106 0.000 2.489 396 S HA 0.124 4.594 4.470 0.000 0.000 0.228 396 S C 1.946 176.571 174.600 0.042 0.000 0.995 396 S CA 0.781 59.032 58.200 0.085 0.000 0.934 396 S CB -0.511 62.729 63.200 0.067 0.000 0.771 396 S HN 0.840 nan 8.310 nan 0.000 0.522 397 G N 0.287 109.087 108.800 0.000 0.000 2.708 397 G HA2 0.258 4.218 3.960 0.000 0.000 0.210 397 G HA3 0.258 4.218 3.960 0.000 0.000 0.210 397 G C 0.183 175.052 174.900 -0.052 0.000 1.141 397 G CA 0.458 45.543 45.100 -0.024 0.000 0.788 397 G HN 0.602 nan 8.290 nan 0.000 0.531 398 S N 0.083 115.750 115.700 -0.055 0.000 2.584 398 S HA 0.523 4.994 4.470 0.000 0.000 0.280 398 S C -2.903 171.693 174.600 -0.005 0.000 1.162 398 S CA -1.062 57.092 58.200 -0.076 0.000 0.951 398 S CB 2.224 65.309 63.200 -0.192 0.000 1.108 398 S HN -0.031 nan 8.310 nan 0.000 0.464 399 P HA 0.374 nan 4.420 nan 0.000 0.274 399 P C -0.966 176.410 177.300 0.127 0.000 1.256 399 P CA -0.362 62.817 63.100 0.132 0.000 0.795 399 P CB 0.334 32.071 31.700 0.062 0.000 1.038 400 F N -0.845 119.077 119.950 -0.046 0.000 2.421 400 F HA 0.227 4.754 4.527 0.000 0.000 0.337 400 F C 1.277 177.043 175.800 -0.056 0.000 1.105 400 F CA -0.501 57.476 58.000 -0.038 0.000 1.049 400 F CB 1.332 40.318 39.000 -0.024 0.000 1.139 400 F HN 0.058 nan 8.300 nan 0.000 0.479 401 T N 3.189 117.779 114.554 0.060 0.000 2.919 401 T HA 0.462 4.812 4.350 0.000 0.000 0.302 401 T C -0.413 174.307 174.700 0.034 0.000 1.031 401 T CA -0.120 61.994 62.100 0.023 0.000 1.127 401 T CB 0.999 69.867 68.868 -0.001 0.000 0.952 401 T HN 0.336 nan 8.240 nan 0.000 0.540 402 V N 1.443 121.344 119.914 -0.021 0.000 3.216 402 V HA 0.646 4.766 4.120 0.000 0.000 0.302 402 V C -0.377 175.646 176.094 -0.118 0.000 1.286 402 V CA -0.380 61.876 62.300 -0.073 0.000 1.048 402 V CB 1.865 33.606 31.823 -0.138 0.000 1.081 402 V HN 1.185 nan 8.190 nan 0.000 0.442 403 A N 2.924 125.623 122.820 -0.202 0.000 2.739 403 A HA -0.161 4.159 4.320 0.000 0.000 0.296 403 A C 0.227 177.612 177.584 -0.331 0.000 1.488 403 A CA 1.270 53.121 52.037 -0.309 0.000 0.746 403 A CB -2.434 16.478 19.000 -0.147 0.000 1.047 403 A HN 2.460 nan 8.150 nan 0.000 0.477 404 H N -3.018 116.061 119.070 0.015 0.000 1.934 404 H HA 0.093 4.649 4.556 0.000 0.000 0.306 404 H C 2.069 177.401 175.328 0.007 0.000 0.808 404 H CA 1.563 57.619 56.048 0.014 0.000 1.018 404 H CB -1.408 28.364 29.762 0.017 0.000 1.535 404 H HN 2.313 nan 8.280 nan 0.000 0.275 405 G N 1.429 110.273 108.800 0.074 0.000 2.320 405 G HA2 -0.477 3.484 3.960 0.000 0.000 0.242 405 G HA3 -0.477 3.484 3.960 0.000 0.000 0.242 405 G C 1.244 176.157 174.900 0.022 0.000 1.033 405 G CA 0.477 45.604 45.100 0.046 0.000 0.620 405 G HN 0.734 nan 8.290 nan 0.000 0.517 406 R N 1.362 121.875 120.500 0.021 0.000 2.280 406 R HA 0.327 4.667 4.340 0.000 0.000 0.207 406 R C 0.653 176.946 176.300 -0.012 0.000 1.043 406 R CA 1.452 57.560 56.100 0.013 0.000 1.006 406 R CB 0.045 30.360 30.300 0.026 0.000 0.885 406 R HN 0.538 nan 8.270 nan 0.000 0.467 407 E N -0.636 119.542 120.200 -0.037 0.000 2.378 407 E HA 0.179 4.530 4.350 0.000 0.000 0.283 407 E C -1.262 175.291 176.600 -0.079 0.000 0.979 407 E CA -0.704 55.659 56.400 -0.062 0.000 0.795 407 E CB 1.018 30.662 29.700 -0.094 0.000 1.221 407 E HN -0.076 nan 8.360 nan 0.000 0.428 408 M N 2.706 122.264 119.600 -0.070 0.000 2.444 408 M HA 0.543 5.024 4.480 0.000 0.000 0.319 408 M C -0.869 175.372 176.300 -0.100 0.000 1.183 408 M CA -0.917 54.353 55.300 -0.051 0.000 1.032 408 M CB 0.810 33.399 32.600 -0.019 0.000 1.569 408 M HN 0.531 nan 8.290 nan 0.000 0.468 409 L N 1.930 123.121 121.223 -0.052 0.000 2.445 409 L HA 0.479 4.819 4.340 0.000 0.000 0.262 409 L C -0.929 175.943 176.870 0.003 0.000 0.974 409 L CA -0.255 54.523 54.840 -0.103 0.000 0.822 409 L CB 2.081 44.002 42.059 -0.229 0.000 1.339 409 L HN 0.605 nan 8.230 nan 0.000 0.409 410 N N 2.639 121.330 118.700 -0.015 0.000 2.479 410 N HA 0.605 5.345 4.740 0.000 0.000 0.285 410 N C -1.287 174.195 175.510 -0.046 0.000 1.075 410 N CA -0.259 52.803 53.050 0.020 0.000 0.967 410 N CB 2.294 40.797 38.487 0.026 0.000 1.137 410 N HN 0.298 nan 8.380 nan 0.000 0.472 411 V N 0.705 120.574 119.914 -0.075 0.000 2.841 411 V HA 0.540 4.660 4.120 0.000 0.000 0.310 411 V C 0.102 176.163 176.094 -0.054 0.000 1.090 411 V CA -0.753 61.439 62.300 -0.181 0.000 0.930 411 V CB 2.060 33.498 31.823 -0.642 0.000 1.014 411 V HN 0.853 nan 8.190 nan 0.000 0.425 412 T N 2.200 116.738 114.554 -0.026 0.000 2.906 412 T HA 0.871 5.221 4.350 0.000 0.000 0.295 412 T C -0.783 173.885 174.700 -0.052 0.000 1.061 412 T CA -0.657 61.443 62.100 0.001 0.000 1.000 412 T CB 1.900 70.793 68.868 0.042 0.000 1.103 412 T HN 0.796 nan 8.240 nan 0.000 0.486 413 I N -0.828 119.720 120.570 -0.037 0.000 2.846 413 I HA 0.837 5.007 4.170 0.000 0.000 0.307 413 I C -0.662 175.430 176.117 -0.041 0.000 1.053 413 I CA -1.070 60.187 61.300 -0.072 0.000 1.050 413 I CB 2.485 40.443 38.000 -0.070 0.000 1.239 413 I HN 0.572 nan 8.210 nan 0.000 0.439 414 S N 4.503 120.170 115.700 -0.055 0.000 2.482 414 S HA 0.728 5.198 4.470 0.000 0.000 0.303 414 S C -0.456 174.138 174.600 -0.010 0.000 1.091 414 S CA -0.554 57.623 58.200 -0.038 0.000 1.057 414 S CB 1.444 64.603 63.200 -0.068 0.000 1.031 414 S HN 0.466 nan 8.310 nan 0.000 0.485 415 I N 1.806 122.379 120.570 0.005 0.000 2.466 415 I HA 0.540 4.710 4.170 0.000 0.000 0.289 415 I C 0.417 176.540 176.117 0.011 0.000 1.026 415 I CA -0.771 60.540 61.300 0.019 0.000 1.078 415 I CB 2.046 40.067 38.000 0.035 0.000 1.249 415 I HN 0.711 nan 8.210 nan 0.000 0.429 416 G N 5.088 113.893 108.800 0.008 0.000 2.371 416 G HA2 0.666 4.626 3.960 0.000 0.000 0.326 416 G HA3 0.666 4.626 3.960 0.000 0.000 0.326 416 G C -0.854 174.044 174.900 -0.003 0.000 1.127 416 G CA -0.386 44.717 45.100 0.004 0.000 0.885 416 G HN 0.345 nan 8.290 nan 0.000 0.477 417 V N 0.549 120.462 119.914 -0.002 0.000 2.823 417 V HA 0.825 4.945 4.120 0.000 0.000 0.312 417 V C -0.000 176.089 176.094 -0.008 0.000 1.072 417 V CA -0.773 61.525 62.300 -0.004 0.000 0.937 417 V CB 1.922 33.746 31.823 0.002 0.000 1.013 417 V HN 0.800 nan 8.190 nan 0.000 0.430 418 S N 1.205 116.897 115.700 -0.012 0.000 2.533 418 S HA 0.881 5.351 4.470 0.000 0.000 0.271 418 S C -0.900 173.692 174.600 -0.013 0.000 1.143 418 S CA 0.127 58.318 58.200 -0.015 0.000 0.891 418 S CB 1.791 64.975 63.200 -0.026 0.000 1.105 418 S HN 1.363 nan 8.310 nan 0.000 0.468 419 A N 1.832 124.645 122.820 -0.011 0.000 2.515 419 A HA 0.852 5.172 4.320 0.000 0.000 0.296 419 A C 0.006 177.585 177.584 -0.009 0.000 1.094 419 A CA -0.658 51.374 52.037 -0.009 0.000 0.718 419 A CB 1.008 20.006 19.000 -0.004 0.000 1.307 419 A HN 0.941 nan 8.150 nan 0.000 0.408 420 T N -0.978 113.571 114.554 -0.008 0.000 2.856 420 T HA 0.497 4.847 4.350 0.000 0.000 0.306 420 T C 0.646 175.345 174.700 -0.002 0.000 1.062 420 T CA 0.263 62.359 62.100 -0.008 0.000 1.083 420 T CB 1.263 70.126 68.868 -0.008 0.000 0.984 420 T HN 1.683 nan 8.240 nan 0.000 0.542 421 A N 0.553 123.373 122.820 0.000 0.000 2.603 421 A HA 0.760 5.080 4.320 0.000 0.000 0.277 421 A C 1.108 178.698 177.584 0.011 0.000 1.158 421 A CA 0.254 52.296 52.037 0.008 0.000 0.962 421 A CB -0.502 18.506 19.000 0.014 0.000 1.189 421 A HN 1.998 nan 8.150 nan 0.000 0.552 422 G N -0.122 108.681 108.800 0.006 0.000 2.447 422 G HA2 -0.164 3.796 3.960 0.000 0.000 0.220 422 G HA3 -0.164 3.796 3.960 0.000 0.000 0.220 422 G C 0.490 175.393 174.900 0.005 0.000 1.261 422 G CA 0.226 45.329 45.100 0.006 0.000 1.000 422 G HN 0.262 nan 8.290 nan 0.000 0.515 423 E N -0.258 119.945 120.200 0.006 0.000 2.097 423 E HA -0.097 4.253 4.350 0.000 0.000 0.196 423 E C 2.461 179.064 176.600 0.005 0.000 1.000 423 E CA 2.180 58.582 56.400 0.004 0.000 0.804 423 E CB -0.739 28.964 29.700 0.005 0.000 0.740 423 E HN 0.881 nan 8.360 nan 0.000 0.454 424 G N 0.174 108.980 108.800 0.010 0.000 2.650 424 G HA2 -0.146 3.814 3.960 0.000 0.000 0.214 424 G HA3 -0.146 3.814 3.960 0.000 0.000 0.214 424 G C 0.437 175.340 174.900 0.004 0.000 1.136 424 G CA 0.106 45.212 45.100 0.010 0.000 0.789 424 G HN 0.195 nan 8.290 nan 0.000 0.536 425 D N 0.519 120.919 120.400 0.001 0.000 2.357 425 D HA 0.423 5.063 4.640 0.000 0.000 0.242 425 D C 0.535 176.829 176.300 -0.010 0.000 1.153 425 D CA 0.420 54.416 54.000 -0.007 0.000 0.918 425 D CB 1.146 41.942 40.800 -0.007 0.000 1.181 425 D HN 0.196 nan 8.370 nan 0.000 0.435 426 T N -1.324 113.221 114.554 -0.015 0.000 2.894 426 T HA 0.451 4.801 4.350 0.000 0.000 0.309 426 T C -2.288 172.403 174.700 -0.016 0.000 1.208 426 T CA -1.344 60.748 62.100 -0.014 0.000 1.016 426 T CB 2.102 70.962 68.868 -0.013 0.000 1.192 426 T HN 0.069 nan 8.240 nan 0.000 0.491 427 P HA -0.139 nan 4.420 nan 0.000 0.218 427 P C 1.400 178.696 177.300 -0.007 0.000 1.148 427 P CA 1.270 64.363 63.100 -0.012 0.000 0.822 427 P CB 0.143 31.837 31.700 -0.010 0.000 0.784 428 E N 0.628 120.826 120.200 -0.004 0.000 2.072 428 E HA -0.132 4.218 4.350 0.000 0.000 0.191 428 E C 2.085 178.678 176.600 -0.012 0.000 0.985 428 E CA 1.426 57.826 56.400 0.000 0.000 0.801 428 E CB -1.401 28.299 29.700 0.001 0.000 0.750 428 E HN 0.153 nan 8.360 nan 0.000 0.452 429 A N 1.959 124.765 122.820 -0.023 0.000 1.883 429 A HA -0.151 4.169 4.320 0.000 0.000 0.217 429 A C 2.329 179.890 177.584 -0.038 0.000 1.186 429 A CA 1.693 53.707 52.037 -0.038 0.000 0.624 429 A CB -0.805 18.168 19.000 -0.045 0.000 0.822 429 A HN 0.266 nan 8.150 nan 0.000 0.444 430 L N -0.439 120.766 121.223 -0.031 0.000 2.017 430 L HA -0.112 4.228 4.340 0.000 0.000 0.208 430 L C 2.298 179.145 176.870 -0.038 0.000 1.073 430 L CA 1.759 56.580 54.840 -0.032 0.000 0.745 430 L CB -0.366 41.676 42.059 -0.028 0.000 0.894 430 L HN 0.403 nan 8.230 nan 0.000 0.432 431 L N -0.750 120.452 121.223 -0.034 0.000 2.156 431 L HA -0.185 4.155 4.340 0.000 0.000 0.208 431 L C 2.600 179.448 176.870 -0.036 0.000 1.095 431 L CA 1.260 56.071 54.840 -0.048 0.000 0.770 431 L CB -0.490 41.555 42.059 -0.024 0.000 0.914 431 L HN 0.288 nan 8.230 nan 0.000 0.439 432 K N 0.252 120.638 120.400 -0.024 0.000 2.097 432 K HA -0.188 4.132 4.320 0.000 0.000 0.206 432 K C 2.264 178.846 176.600 -0.031 0.000 1.049 432 K CA 1.236 57.508 56.287 -0.025 0.000 0.933 432 K CB 0.095 32.576 32.500 -0.032 0.000 0.717 432 K HN 0.089 nan 8.250 nan 0.000 0.442 433 R N -0.204 120.274 120.500 -0.036 0.000 2.115 433 R HA -0.041 4.299 4.340 0.000 0.000 0.230 433 R C 2.178 178.466 176.300 -0.019 0.000 1.111 433 R CA 1.237 57.319 56.100 -0.030 0.000 0.976 433 R CB -0.197 30.083 30.300 -0.034 0.000 0.870 433 R HN 0.241 nan 8.270 nan 0.000 0.445 434 A N 1.688 124.490 122.820 -0.030 0.000 1.877 434 A HA -0.197 4.123 4.320 0.000 0.000 0.216 434 A C 1.620 179.194 177.584 -0.017 0.000 1.186 434 A CA 1.921 53.939 52.037 -0.033 0.000 0.620 434 A CB -0.490 18.470 19.000 -0.067 0.000 0.822 434 A HN 0.515 nan 8.150 nan 0.000 0.443 435 D N -0.572 119.819 120.400 -0.015 0.000 2.317 435 D HA -0.112 4.528 4.640 0.000 0.000 0.211 435 D C 1.171 177.500 176.300 0.047 0.000 0.966 435 D CA 0.843 54.852 54.000 0.015 0.000 0.876 435 D CB -0.401 40.411 40.800 0.019 0.000 0.927 435 D HN 0.457 nan 8.370 nan 0.000 0.519 436 E N 1.241 121.458 120.200 0.029 0.000 2.106 436 E HA -0.076 4.274 4.350 0.000 0.000 0.192 436 E C 2.254 178.913 176.600 0.098 0.000 0.984 436 E CA 1.114 57.549 56.400 0.058 0.000 0.806 436 E CB -0.615 29.096 29.700 0.019 0.000 0.750 436 E HN 0.525 nan 8.360 nan 0.000 0.458 437 G N 1.916 110.749 108.800 0.054 0.000 2.421 437 G HA2 -0.236 3.724 3.960 0.000 0.000 0.216 437 G HA3 -0.236 3.724 3.960 0.000 0.000 0.216 437 G C 1.867 176.796 174.900 0.048 0.000 1.171 437 G CA 1.704 46.831 45.100 0.044 0.000 0.775 437 G HN 0.304 nan 8.290 nan 0.000 0.543 438 V N -1.472 118.472 119.914 0.050 0.000 2.392 438 V HA -0.216 3.904 4.120 0.000 0.000 0.249 438 V C 2.355 178.482 176.094 0.055 0.000 1.059 438 V CA 2.072 64.394 62.300 0.038 0.000 1.051 438 V CB -0.978 30.866 31.823 0.034 0.000 0.658 438 V HN 0.351 nan 8.190 nan 0.000 0.455 439 Y N 1.975 122.263 120.300 -0.020 0.000 2.145 439 Y HA -0.175 4.375 4.550 0.000 0.000 0.286 439 Y C 2.757 178.647 175.900 -0.017 0.000 1.145 439 Y CA 2.469 60.558 58.100 -0.018 0.000 1.148 439 Y CB -0.304 38.149 38.460 -0.012 0.000 0.981 439 Y HN 0.337 nan 8.280 nan 0.000 0.507 440 Q N -0.227 119.567 119.800 -0.010 0.000 2.123 440 Q HA -0.105 4.235 4.340 0.000 0.000 0.199 440 Q C 2.567 178.502 176.000 -0.108 0.000 0.966 440 Q CA 1.210 56.963 55.803 -0.083 0.000 0.845 440 Q CB -0.745 28.001 28.738 0.013 0.000 0.907 440 Q HN 0.589 nan 8.270 nan 0.000 0.439 441 A N 1.718 124.498 122.820 -0.067 0.000 1.908 441 A HA -0.229 4.091 4.320 0.000 0.000 0.218 441 A C 2.135 179.659 177.584 -0.101 0.000 1.181 441 A CA 1.769 53.769 52.037 -0.062 0.000 0.627 441 A CB -0.327 18.651 19.000 -0.037 0.000 0.818 441 A HN 0.103 nan 8.150 nan 0.000 0.445 442 K N 0.043 120.358 120.400 -0.142 0.000 2.001 442 K HA -0.087 4.233 4.320 0.000 0.000 0.214 442 K C 2.172 178.655 176.600 -0.196 0.000 1.050 442 K CA 1.782 57.958 56.287 -0.185 0.000 0.934 442 K CB -0.852 31.518 32.500 -0.217 0.000 0.718 442 K HN 0.421 nan 8.250 nan 0.000 0.443 443 A N 0.285 122.942 122.820 -0.271 0.000 1.972 443 A HA -0.166 4.154 4.320 0.000 0.000 0.219 443 A C 2.091 179.602 177.584 -0.122 0.000 1.169 443 A CA 2.251 54.151 52.037 -0.230 0.000 0.635 443 A CB -0.878 17.937 19.000 -0.308 0.000 0.810 443 A HN 0.451 nan 8.150 nan 0.000 0.446 444 S N -1.808 113.833 115.700 -0.099 0.000 2.515 444 S HA 0.313 4.783 4.470 0.000 0.000 0.231 444 S C 1.344 175.922 174.600 -0.036 0.000 0.987 444 S CA 1.320 59.488 58.200 -0.055 0.000 0.936 444 S CB -0.271 62.904 63.200 -0.041 0.000 0.766 444 S HN 1.908 nan 8.310 nan 0.000 0.528 445 G N 0.399 109.173 108.800 -0.043 0.000 2.183 445 G HA2 -0.112 3.848 3.960 0.000 0.000 0.168 445 G HA3 -0.112 3.848 3.960 0.000 0.000 0.168 445 G C 0.162 175.057 174.900 -0.009 0.000 1.008 445 G CA -0.261 44.832 45.100 -0.011 0.000 0.677 445 G HN 0.641 nan 8.290 nan 0.000 0.498 446 R N -1.687 118.785 120.500 -0.048 0.000 3.948 446 R HA -0.164 4.176 4.340 0.000 0.000 0.462 446 R C 0.584 176.870 176.300 -0.024 0.000 0.241 446 R CA 0.738 56.798 56.100 -0.067 0.000 1.455 446 R CB -0.934 29.291 30.300 -0.124 0.000 1.112 446 R HN 1.488 nan 8.270 nan 0.000 0.510 447 N N -0.660 118.024 118.700 -0.027 0.000 2.688 447 N HA -0.209 4.532 4.740 0.000 0.000 0.258 447 N C -1.761 173.751 175.510 0.004 0.000 1.016 447 N CA 1.610 54.661 53.050 0.002 0.000 0.747 447 N CB -0.681 37.823 38.487 0.029 0.000 0.895 447 N HN 0.852 nan 8.380 nan 0.000 0.543 448 A N -0.680 122.136 122.820 -0.006 0.000 2.606 448 A HA 0.743 5.063 4.320 0.000 0.000 0.293 448 A C -0.899 176.685 177.584 -0.000 0.000 1.082 448 A CA -0.386 51.650 52.037 -0.003 0.000 0.685 448 A CB 1.902 20.895 19.000 -0.012 0.000 1.284 448 A HN 0.275 nan 8.150 nan 0.000 0.408 449 V N 0.873 120.790 119.914 0.006 0.000 2.495 449 V HA 0.664 4.784 4.120 0.000 0.000 0.298 449 V C -0.711 175.386 176.094 0.006 0.000 1.031 449 V CA -0.458 61.848 62.300 0.009 0.000 0.871 449 V CB 1.546 33.378 31.823 0.015 0.000 0.988 449 V HN 0.755 nan 8.190 nan 0.000 0.432 450 V N 3.118 123.035 119.914 0.006 0.000 2.623 450 V HA 0.686 4.807 4.120 0.000 0.000 0.304 450 V C 0.376 176.476 176.094 0.010 0.000 1.054 450 V CA -0.468 61.836 62.300 0.007 0.000 0.882 450 V CB 2.116 33.943 31.823 0.006 0.000 1.002 450 V HN 0.954 nan 8.190 nan 0.000 0.424 451 G N 3.141 111.947 108.800 0.010 0.000 2.377 451 G HA2 0.429 4.389 3.960 0.000 0.000 0.316 451 G HA3 0.429 4.389 3.960 0.000 0.000 0.316 451 G C -0.460 174.447 174.900 0.012 0.000 1.115 451 G CA -0.416 44.690 45.100 0.009 0.000 0.952 451 G HN 0.527 nan 8.290 nan 0.000 0.441 452 K N 1.777 122.184 120.400 0.011 0.000 2.249 452 K HA 0.541 4.861 4.320 0.000 0.000 0.280 452 K C 0.237 176.842 176.600 0.009 0.000 1.033 452 K CA -0.297 55.998 56.287 0.013 0.000 0.946 452 K CB 1.240 33.748 32.500 0.013 0.000 1.005 452 K HN 0.509 nan 8.250 nan 0.000 0.469 453 A N 2.480 125.310 122.820 0.016 0.000 2.281 453 A HA 0.565 4.885 4.320 0.000 0.000 0.329 453 A C -0.497 177.102 177.584 0.024 0.000 1.122 453 A CA -0.493 51.555 52.037 0.019 0.000 0.850 453 A CB 0.895 19.910 19.000 0.024 0.000 1.207 453 A HN 0.806 nan 8.150 nan 0.000 0.495 454 A N 1.367 124.204 122.820 0.028 0.000 2.569 454 A HA 0.412 4.732 4.320 0.000 0.000 0.288 454 A C 0.499 178.152 177.584 0.115 0.000 1.326 454 A CA 1.520 53.583 52.037 0.043 0.000 0.978 454 A CB -1.801 17.226 19.000 0.044 0.000 1.054 454 A HN 1.450 nan 8.150 nan 0.000 0.558 455 H N 0.000 119.071 119.070 0.001 0.000 2.539 455 H HA 0.000 4.556 4.556 0.000 0.000 0.296 455 H CA 0.000 56.049 56.048 0.001 0.000 1.023 455 H CB 0.000 29.762 29.762 0.000 0.000 1.292 455 H HN 0.000 nan 8.280 nan 0.000 0.496