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 3l4m_1_D DATA FIRST_RESID 11 DATA SEQUENCE QETQGQAAAR AAAADLAAGQ DDEPRILEAP APDARRVYVN DPAHFAAVTQ DATA SEQUENCE QFVIDGEAGR VIGMIDGGFL PNPVVADDGS FIAHASTVFS RIARGERTDY DATA SEQUENCE VEVFDPVTLL PTADIELPDA PRFLVGTYPW MTSLTPDGKT LLFYQFSPAP DATA SEQUENCE AVGVVDLEGK AFKRMLDVPD CYHIFPTAPD TFFMHCRDGS LAKVAFGTEG DATA SEQUENCE TPEITHTEVF HPEDEFLINH PAYSQKAGRL VWPTYTGKIH QIDLSSGDAK DATA SEQUENCE FLPAVEALTE AERADGWRPG GWQQVAYHRA LDRIYLLVDQ RDEWRHKTAS DATA SEQUENCE RFVVVLDAKT GERLAKFEMG HEIDSINVSQ DEKPLLYALS TGDKTLYIHD DATA SEQUENCE AESGEELRSV NQLGHGPQVI TTADMG 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 11 Q HA 0.000 nan 4.340 nan 0.000 0.214 11 Q C 0.000 175.991 176.000 -0.014 0.000 1.003 11 Q CA 0.000 55.794 55.803 -0.015 0.000 1.022 11 Q CB 0.000 28.730 28.738 -0.013 0.000 1.108 12 E N 2.366 122.558 120.200 -0.013 0.000 2.366 12 E HA 0.139 4.493 4.350 0.006 0.000 0.266 12 E C -0.221 176.370 176.600 -0.015 0.000 1.015 12 E CA 0.608 57.000 56.400 -0.013 0.000 0.906 12 E CB 0.747 30.440 29.700 -0.012 0.000 0.979 12 E HN 0.350 nan 8.360 nan 0.000 0.443 13 T N 0.998 115.542 114.554 -0.016 0.000 2.788 13 T HA -0.023 4.331 4.350 0.006 0.000 0.287 13 T C 1.329 176.017 174.700 -0.018 0.000 1.007 13 T CA -0.004 62.085 62.100 -0.019 0.000 1.005 13 T CB 1.244 70.100 68.868 -0.020 0.000 1.012 13 T HN 0.678 nan 8.240 nan 0.000 0.530 14 Q N 0.700 120.487 119.800 -0.021 0.000 2.084 14 Q HA -0.023 4.320 4.340 0.006 0.000 0.202 14 Q C 2.242 178.232 176.000 -0.018 0.000 0.978 14 Q CA 1.716 57.507 55.803 -0.020 0.000 0.844 14 Q CB -1.088 27.635 28.738 -0.024 0.000 0.898 14 Q HN 0.864 nan 8.270 nan 0.000 0.426 15 G N 0.776 109.564 108.800 -0.019 0.000 2.421 15 G HA2 -0.213 3.751 3.960 0.006 0.000 0.217 15 G HA3 -0.213 3.751 3.960 0.006 0.000 0.217 15 G C 1.342 176.234 174.900 -0.014 0.000 1.143 15 G CA 0.650 45.740 45.100 -0.016 0.000 0.784 15 G HN 0.410 nan 8.290 nan 0.000 0.541 16 Q N 0.362 120.154 119.800 -0.014 0.000 2.046 16 Q HA 0.059 4.402 4.340 0.006 0.000 0.200 16 Q C 2.979 178.973 176.000 -0.011 0.000 0.975 16 Q CA 1.313 57.109 55.803 -0.012 0.000 0.836 16 Q CB -0.290 28.441 28.738 -0.011 0.000 0.896 16 Q HN 0.435 nan 8.270 nan 0.000 0.428 17 A N 1.126 123.939 122.820 -0.011 0.000 1.972 17 A HA -0.115 4.209 4.320 0.006 0.000 0.219 17 A C 2.271 179.849 177.584 -0.009 0.000 1.169 17 A CA 1.550 53.581 52.037 -0.010 0.000 0.635 17 A CB -0.718 18.276 19.000 -0.011 0.000 0.810 17 A HN 0.396 nan 8.150 nan 0.000 0.446 18 A N -0.255 122.559 122.820 -0.010 0.000 1.930 18 A HA 0.238 4.561 4.320 0.006 0.000 0.217 18 A C 2.453 180.032 177.584 -0.008 0.000 1.175 18 A CA 1.764 53.795 52.037 -0.009 0.000 0.627 18 A CB -0.841 18.153 19.000 -0.010 0.000 0.815 18 A HN 0.979 nan 8.150 nan 0.000 0.443 19 A N -0.461 122.354 122.820 -0.008 0.000 1.930 19 A HA -0.116 4.207 4.320 0.006 0.000 0.217 19 A C 2.273 179.853 177.584 -0.006 0.000 1.175 19 A CA 1.365 53.398 52.037 -0.007 0.000 0.627 19 A CB -0.419 18.576 19.000 -0.007 0.000 0.815 19 A HN 0.474 nan 8.150 nan 0.000 0.443 20 R N -0.783 119.714 120.500 -0.007 0.000 2.090 20 R HA -0.028 4.315 4.340 0.006 0.000 0.228 20 R C 2.473 178.770 176.300 -0.005 0.000 1.110 20 R CA 1.093 57.189 56.100 -0.006 0.000 0.973 20 R CB -0.362 29.934 30.300 -0.006 0.000 0.869 20 R HN 0.518 nan 8.270 nan 0.000 0.440 21 A N 1.001 123.818 122.820 -0.006 0.000 1.898 21 A HA -0.088 4.235 4.320 0.006 0.000 0.216 21 A C 2.324 179.905 177.584 -0.004 0.000 1.181 21 A CA 1.635 53.669 52.037 -0.005 0.000 0.620 21 A CB -0.518 18.479 19.000 -0.005 0.000 0.819 21 A HN 0.384 nan 8.150 nan 0.000 0.442 22 A N -0.103 122.715 122.820 -0.005 0.000 1.902 22 A HA 0.158 4.481 4.320 0.006 0.000 0.217 22 A C 2.492 180.074 177.584 -0.004 0.000 1.181 22 A CA 2.091 54.125 52.037 -0.004 0.000 0.623 22 A CB -0.991 18.006 19.000 -0.004 0.000 0.818 22 A HN 1.055 nan 8.150 nan 0.000 0.443 23 A N -0.273 122.545 122.820 -0.004 0.000 1.930 23 A HA 0.198 4.521 4.320 0.006 0.000 0.217 23 A C 2.459 180.041 177.584 -0.003 0.000 1.175 23 A CA 1.942 53.977 52.037 -0.003 0.000 0.627 23 A CB -0.871 18.127 19.000 -0.004 0.000 0.815 23 A HN 1.007 nan 8.150 nan 0.000 0.443 24 A N 0.058 122.876 122.820 -0.003 0.000 1.898 24 A HA -0.136 4.187 4.320 0.006 0.000 0.216 24 A C 1.759 179.341 177.584 -0.002 0.000 1.181 24 A CA 1.765 53.800 52.037 -0.003 0.000 0.620 24 A CB -0.531 18.467 19.000 -0.003 0.000 0.819 24 A HN 0.437 nan 8.150 nan 0.000 0.442 25 D N -0.245 120.153 120.400 -0.002 0.000 2.092 25 D HA -0.162 4.482 4.640 0.006 0.000 0.193 25 D C 1.858 178.157 176.300 -0.002 0.000 0.994 25 D CA 1.466 55.465 54.000 -0.002 0.000 0.828 25 D CB -0.523 40.276 40.800 -0.002 0.000 0.963 25 D HN 0.336 nan 8.370 nan 0.000 0.450 26 L N 0.923 122.145 121.223 -0.002 0.000 1.989 26 L HA -0.135 4.208 4.340 0.006 0.000 0.211 26 L C 2.119 178.988 176.870 -0.002 0.000 1.071 26 L CA 2.153 56.992 54.840 -0.002 0.000 0.749 26 L CB -0.907 41.151 42.059 -0.002 0.000 0.890 26 L HN 0.004 nan 8.230 nan 0.000 0.431 27 A N -0.693 122.126 122.820 -0.002 0.000 1.933 27 A HA -0.025 4.298 4.320 0.006 0.000 0.218 27 A C 2.292 179.876 177.584 -0.001 0.000 1.175 27 A CA 1.668 53.704 52.037 -0.002 0.000 0.628 27 A CB -1.072 17.927 19.000 -0.002 0.000 0.814 27 A HN 0.582 nan 8.150 nan 0.000 0.444 28 A N -1.943 120.876 122.820 -0.001 0.000 2.218 28 A HA 0.419 4.742 4.320 0.006 0.000 0.209 28 A C 1.724 179.308 177.584 -0.001 0.000 1.168 28 A CA 1.163 53.199 52.037 -0.001 0.000 0.804 28 A CB -0.854 18.145 19.000 -0.001 0.000 0.834 28 A HN 1.915 nan 8.150 nan 0.000 0.482 29 G N -0.778 108.021 108.800 -0.001 0.000 2.160 29 G HA2 -0.247 3.717 3.960 0.006 0.000 0.244 29 G HA3 -0.247 3.717 3.960 0.006 0.000 0.244 29 G C 0.065 174.965 174.900 -0.001 0.000 1.022 29 G CA 0.421 45.520 45.100 -0.001 0.000 0.741 29 G HN 0.777 nan 8.290 nan 0.000 0.508 30 Q N 0.753 120.553 119.800 -0.001 0.000 2.295 30 Q HA 0.525 4.869 4.340 0.006 0.000 0.259 30 Q C 0.056 176.055 176.000 -0.001 0.000 0.976 30 Q CA -0.298 55.505 55.803 -0.001 0.000 0.923 30 Q CB 0.897 29.635 28.738 -0.001 0.000 1.185 30 Q HN 0.315 nan 8.270 nan 0.000 0.410 31 D N 2.106 122.506 120.400 -0.000 0.000 2.340 31 D HA 0.499 5.142 4.640 0.006 0.000 0.251 31 D C -1.197 175.104 176.300 -0.000 0.000 1.080 31 D CA -0.162 53.837 54.000 -0.000 0.000 0.971 31 D CB 1.029 41.829 40.800 0.000 0.000 1.137 31 D HN 0.649 nan 8.370 nan 0.000 0.475 32 D N -0.238 120.162 120.400 0.000 0.000 2.745 32 D HA 0.108 4.751 4.640 0.006 0.000 0.221 32 D C -1.642 174.658 176.300 0.000 0.000 1.237 32 D CA -0.472 53.528 54.000 0.000 0.000 0.781 32 D CB 1.036 41.836 40.800 -0.000 0.000 1.575 32 D HN 0.229 nan 8.370 nan 0.000 0.482 33 E N 2.995 123.195 120.200 0.001 0.000 2.167 33 E HA 0.421 4.775 4.350 0.006 0.000 0.284 33 E C -2.108 174.492 176.600 0.001 0.000 1.016 33 E CA -1.928 54.473 56.400 0.001 0.000 0.817 33 E CB 0.852 30.553 29.700 0.002 0.000 1.080 33 E HN 0.174 nan 8.360 nan 0.000 0.397 34 P HA -0.015 nan 4.420 nan 0.000 0.264 34 P C -0.993 176.308 177.300 0.001 0.000 1.193 34 P CA 0.491 63.592 63.100 0.001 0.000 0.763 34 P CB 0.396 32.097 31.700 0.001 0.000 0.810 35 R N 1.964 122.465 120.500 0.002 0.000 2.762 35 R HA 0.548 4.891 4.340 0.006 0.000 0.271 35 R C -1.223 175.079 176.300 0.003 0.000 1.038 35 R CA -0.965 55.136 56.100 0.003 0.000 0.906 35 R CB 0.647 30.949 30.300 0.003 0.000 1.259 35 R HN 0.020 nan 8.270 nan 0.000 0.457 36 I N 2.638 123.211 120.570 0.004 0.000 2.352 36 I HA 0.248 4.422 4.170 0.006 0.000 0.290 36 I C 0.661 176.780 176.117 0.004 0.000 1.036 36 I CA -0.771 60.531 61.300 0.004 0.000 1.336 36 I CB 0.582 38.587 38.000 0.007 0.000 1.407 36 I HN 0.493 nan 8.210 nan 0.000 0.497 37 L N 5.761 126.985 121.223 0.002 0.000 2.452 37 L HA 0.191 4.534 4.340 0.006 0.000 0.267 37 L C 0.868 177.740 176.870 0.004 0.000 1.188 37 L CA -0.306 54.535 54.840 0.001 0.000 0.821 37 L CB 0.394 42.452 42.059 -0.002 0.000 1.102 37 L HN 0.541 nan 8.230 nan 0.000 0.470 38 E N 0.846 121.049 120.200 0.006 0.000 2.266 38 E HA 0.431 4.784 4.350 0.006 0.000 0.277 38 E C -0.399 176.203 176.600 0.003 0.000 1.018 38 E CA -0.727 55.679 56.400 0.009 0.000 0.840 38 E CB 1.616 31.324 29.700 0.013 0.000 1.082 38 E HN 0.665 nan 8.360 nan 0.000 0.395 39 A N 4.112 126.934 122.820 0.003 0.000 2.425 39 A HA 0.287 4.611 4.320 0.006 0.000 0.242 39 A C -2.077 175.505 177.584 -0.002 0.000 1.077 39 A CA -1.129 50.903 52.037 -0.007 0.000 0.781 39 A CB -0.365 18.627 19.000 -0.013 0.000 1.020 39 A HN 0.366 nan 8.150 nan 0.000 0.494 40 P HA 0.245 nan 4.420 nan 0.000 0.268 40 P C -0.006 177.296 177.300 0.003 0.000 1.208 40 P CA 0.267 63.365 63.100 -0.004 0.000 0.777 40 P CB 0.249 31.943 31.700 -0.010 0.000 0.875 41 A N 3.875 126.702 122.820 0.012 0.000 2.598 41 A HA 0.091 4.414 4.320 0.006 0.000 0.239 41 A C -1.750 175.845 177.584 0.019 0.000 1.032 41 A CA -0.442 51.607 52.037 0.021 0.000 0.760 41 A CB -1.846 17.167 19.000 0.021 0.000 0.946 41 A HN 0.431 nan 8.150 nan 0.000 0.512 42 P HA 0.124 nan 4.420 nan 0.000 0.261 42 P C -0.618 176.700 177.300 0.031 0.000 1.173 42 P CA 0.691 63.814 63.100 0.038 0.000 0.760 42 P CB 0.469 32.208 31.700 0.066 0.000 0.783 43 D N 1.201 121.616 120.400 0.024 0.000 2.744 43 D HA 0.448 5.091 4.640 0.006 0.000 0.304 43 D C 0.699 177.022 176.300 0.038 0.000 1.179 43 D CA -0.821 53.196 54.000 0.028 0.000 1.024 43 D CB 0.060 40.872 40.800 0.021 0.000 1.453 43 D HN 0.120 nan 8.370 nan 0.000 0.529 44 A N -0.562 122.284 122.820 0.044 0.000 1.972 44 A HA -0.118 4.205 4.320 0.006 0.000 0.219 44 A C 1.724 179.360 177.584 0.087 0.000 1.169 44 A CA 1.021 53.094 52.037 0.061 0.000 0.635 44 A CB -0.530 18.504 19.000 0.057 0.000 0.810 44 A HN 0.424 nan 8.150 nan 0.000 0.446 45 R N -0.673 119.871 120.500 0.074 0.000 2.334 45 R HA 0.096 4.439 4.340 0.006 0.000 0.220 45 R C 0.615 176.953 176.300 0.063 0.000 0.917 45 R CA -0.169 55.996 56.100 0.109 0.000 1.073 45 R CB -0.192 30.157 30.300 0.081 0.000 1.056 45 R HN 0.481 nan 8.270 nan 0.000 0.506 46 R N 1.423 121.920 120.500 -0.006 0.000 2.491 46 R HA 0.203 4.547 4.340 0.006 0.000 0.283 46 R C -0.899 175.278 176.300 -0.205 0.000 1.072 46 R CA 0.081 56.101 56.100 -0.134 0.000 1.048 46 R CB 0.936 31.141 30.300 -0.158 0.000 0.983 46 R HN -0.121 nan 8.270 nan 0.000 0.450 47 V N 5.765 125.450 119.914 -0.382 0.000 2.841 47 V HA 0.456 4.580 4.120 0.006 0.000 0.310 47 V C -1.788 174.040 176.094 -0.443 0.000 1.090 47 V CA -0.698 61.343 62.300 -0.432 0.000 0.930 47 V CB 1.875 33.184 31.823 -0.858 0.000 1.014 47 V HN 0.763 nan 8.190 nan 0.000 0.425 48 Y N 4.106 124.306 120.300 -0.167 0.000 2.352 48 Y HA 0.701 5.255 4.550 0.006 0.000 0.339 48 Y C 0.029 175.889 175.900 -0.067 0.000 0.992 48 Y CA -0.758 57.288 58.100 -0.090 0.000 1.100 48 Y CB 2.210 40.628 38.460 -0.071 0.000 1.192 48 Y HN 0.405 nan 8.280 nan 0.000 0.458 49 V N 3.864 123.860 119.914 0.136 0.000 2.378 49 V HA 0.333 4.457 4.120 0.006 0.000 0.288 49 V C -0.817 175.396 176.094 0.200 0.000 1.016 49 V CA -1.062 61.310 62.300 0.120 0.000 0.840 49 V CB 1.344 33.194 31.823 0.046 0.000 0.994 49 V HN 0.725 nan 8.190 nan 0.000 0.431 50 N N 2.709 121.487 118.700 0.129 0.000 2.438 50 N HA 0.396 5.139 4.740 0.006 0.000 0.282 50 N C -0.810 174.748 175.510 0.079 0.000 1.037 50 N CA -0.461 52.651 53.050 0.103 0.000 0.942 50 N CB 1.329 39.856 38.487 0.067 0.000 1.136 50 N HN 0.686 nan 8.380 nan 0.000 0.481 51 D N 2.642 123.099 120.400 0.095 0.000 2.485 51 D HA 0.318 4.962 4.640 0.006 0.000 0.229 51 D C -2.019 174.273 176.300 -0.012 0.000 1.101 51 D CA -2.301 51.727 54.000 0.047 0.000 0.906 51 D CB 1.125 42.033 40.800 0.180 0.000 1.019 51 D HN 0.277 nan 8.370 nan 0.000 0.516 52 P HA 0.063 nan 4.420 nan 0.000 0.230 52 P C 0.284 177.529 177.300 -0.092 0.000 1.158 52 P CA 0.811 63.858 63.100 -0.088 0.000 0.769 52 P CB 0.110 31.719 31.700 -0.153 0.000 0.807 53 A N -1.084 121.637 122.820 -0.165 0.000 2.872 53 A HA -0.247 4.076 4.320 0.006 0.000 0.273 53 A C 0.246 177.773 177.584 -0.095 0.000 1.442 53 A CA 0.930 52.915 52.037 -0.086 0.000 0.801 53 A CB -2.911 16.153 19.000 0.106 0.000 1.031 53 A HN 0.459 nan 8.150 nan 0.000 0.582 54 H N -3.333 115.604 119.070 -0.222 0.000 2.826 54 H HA -0.222 4.337 4.556 0.006 0.000 0.306 54 H C 0.550 175.716 175.328 -0.270 0.000 1.235 54 H CA 1.642 57.447 56.048 -0.406 0.000 1.150 54 H CB -2.110 27.517 29.762 -0.226 0.000 1.409 54 H HN 1.646 nan 8.280 nan 0.000 0.420 55 F N -4.151 115.861 119.950 0.104 0.000 2.795 55 F HA -0.210 4.321 4.527 0.006 0.000 0.297 55 F C 1.390 177.357 175.800 0.279 0.000 0.699 55 F CA 0.088 58.213 58.000 0.207 0.000 1.384 55 F CB -1.915 37.211 39.000 0.210 0.000 1.672 55 F HN 0.544 nan 8.300 nan 0.000 0.345 56 A N 0.354 123.356 122.820 0.304 0.000 2.425 56 A HA 0.643 4.967 4.320 0.006 0.000 0.242 56 A C 1.493 179.245 177.584 0.280 0.000 1.077 56 A CA 0.330 52.485 52.037 0.197 0.000 0.781 56 A CB 0.413 19.465 19.000 0.087 0.000 1.020 56 A HN 0.997 nan 8.150 nan 0.000 0.494 57 A N 1.279 124.170 122.820 0.117 0.000 2.067 57 A HA 0.295 4.619 4.320 0.006 0.000 0.219 57 A C 1.027 178.736 177.584 0.208 0.000 1.158 57 A CA 1.724 53.819 52.037 0.096 0.000 0.661 57 A CB -0.939 18.022 19.000 -0.065 0.000 0.801 57 A HN 1.996 nan 8.150 nan 0.000 0.452 58 V N -3.403 116.605 119.914 0.156 0.000 2.914 58 V HA 0.851 4.974 4.120 0.006 0.000 0.314 58 V C -0.515 175.656 176.094 0.127 0.000 1.084 58 V CA 0.019 62.404 62.300 0.142 0.000 0.963 58 V CB 1.555 33.441 31.823 0.105 0.000 1.025 58 V HN 0.557 nan 8.190 nan 0.000 0.432 59 T N 1.105 115.718 114.554 0.098 0.000 2.778 59 T HA 0.773 5.126 4.350 0.006 0.000 0.293 59 T C -0.942 173.770 174.700 0.019 0.000 1.144 59 T CA -0.832 61.313 62.100 0.075 0.000 1.010 59 T CB 2.154 71.054 68.868 0.053 0.000 1.325 59 T HN 0.903 nan 8.240 nan 0.000 0.515 60 Q N -0.162 119.618 119.800 -0.033 0.000 2.421 60 Q HA 0.512 4.855 4.340 0.006 0.000 0.280 60 Q C -1.482 174.374 176.000 -0.239 0.000 1.085 60 Q CA -0.811 54.870 55.803 -0.202 0.000 0.807 60 Q CB 3.111 31.620 28.738 -0.382 0.000 1.405 60 Q HN 0.721 nan 8.270 nan 0.000 0.419 61 Q N 1.645 121.252 119.800 -0.321 0.000 2.312 61 Q HA 0.488 4.832 4.340 0.006 0.000 0.263 61 Q C -1.567 174.158 176.000 -0.458 0.000 0.995 61 Q CA -0.530 55.140 55.803 -0.221 0.000 0.853 61 Q CB 0.974 29.663 28.738 -0.081 0.000 1.300 61 Q HN 0.483 nan 8.270 nan 0.000 0.448 62 F N 2.299 122.230 119.950 -0.032 0.000 2.420 62 F HA 0.381 4.911 4.527 0.004 0.000 0.342 62 F C -0.177 175.562 175.800 -0.100 0.000 1.113 62 F CA -0.791 57.166 58.000 -0.072 0.000 1.059 62 F CB 1.443 40.384 39.000 -0.098 0.000 1.128 62 F HN 0.183 nan 8.300 nan 0.000 0.475 63 V N 5.236 125.134 119.914 -0.027 0.000 2.394 63 V HA 0.468 4.591 4.120 0.006 0.000 0.282 63 V C 0.024 176.001 176.094 -0.196 0.000 1.031 63 V CA -0.643 61.511 62.300 -0.242 0.000 0.881 63 V CB 1.281 32.957 31.823 -0.246 0.000 0.982 63 V HN 0.592 nan 8.190 nan 0.000 0.451 64 I N 2.980 123.380 120.570 -0.283 0.000 2.647 64 I HA 0.377 4.550 4.170 0.006 0.000 0.295 64 I C -0.836 175.166 176.117 -0.191 0.000 1.078 64 I CA -0.572 60.617 61.300 -0.185 0.000 1.048 64 I CB 2.462 40.361 38.000 -0.168 0.000 1.239 64 I HN 0.550 nan 8.210 nan 0.000 0.421 65 D N 4.234 124.566 120.400 -0.115 0.000 2.365 65 D HA 0.205 4.849 4.640 0.006 0.000 0.237 65 D C 1.156 177.439 176.300 -0.029 0.000 1.190 65 D CA -0.103 53.853 54.000 -0.073 0.000 0.867 65 D CB 1.617 42.386 40.800 -0.051 0.000 1.050 65 D HN 0.679 nan 8.370 nan 0.000 0.491 66 G N 3.556 112.367 108.800 0.018 0.000 2.450 66 G HA2 -0.301 3.662 3.960 0.006 0.000 0.220 66 G HA3 -0.301 3.662 3.960 0.006 0.000 0.220 66 G C 1.294 176.247 174.900 0.089 0.000 1.130 66 G CA 0.708 45.893 45.100 0.141 0.000 0.760 66 G HN 0.523 nan 8.290 nan 0.000 0.557 67 E N 0.843 121.071 120.200 0.047 0.000 2.072 67 E HA 0.131 4.484 4.350 0.006 0.000 0.190 67 E C 2.554 179.155 176.600 0.002 0.000 0.982 67 E CA 1.349 57.761 56.400 0.020 0.000 0.803 67 E CB -0.435 29.273 29.700 0.013 0.000 0.755 67 E HN 0.269 nan 8.360 nan 0.000 0.453 68 A N -0.480 122.337 122.820 -0.005 0.000 2.132 68 A HA 0.348 4.671 4.320 0.006 0.000 0.213 68 A C 1.581 179.152 177.584 -0.022 0.000 1.154 68 A CA 0.777 52.805 52.037 -0.015 0.000 0.753 68 A CB -0.549 18.439 19.000 -0.020 0.000 0.826 68 A HN 0.478 nan 8.150 nan 0.000 0.469 69 G N -0.458 108.332 108.800 -0.018 0.000 2.324 69 G HA2 -0.239 3.724 3.960 0.006 0.000 0.292 69 G HA3 -0.239 3.724 3.960 0.006 0.000 0.292 69 G C -0.017 174.853 174.900 -0.051 0.000 1.079 69 G CA 0.530 45.610 45.100 -0.033 0.000 1.026 69 G HN 0.852 nan 8.290 nan 0.000 0.506 70 R N -0.365 120.105 120.500 -0.051 0.000 2.628 70 R HA 0.576 4.920 4.340 0.006 0.000 0.288 70 R C -0.064 176.202 176.300 -0.056 0.000 0.980 70 R CA -0.845 55.224 56.100 -0.051 0.000 0.891 70 R CB 1.721 31.997 30.300 -0.040 0.000 1.188 70 R HN 0.147 nan 8.270 nan 0.000 0.450 71 V N 6.896 126.783 119.914 -0.045 0.000 2.479 71 V HA 0.064 4.188 4.120 0.006 0.000 0.281 71 V C 1.346 177.425 176.094 -0.026 0.000 1.031 71 V CA 0.266 62.554 62.300 -0.020 0.000 1.038 71 V CB 0.827 32.670 31.823 0.033 0.000 0.981 71 V HN 0.762 nan 8.190 nan 0.000 0.478 72 I N 1.969 122.512 120.570 -0.046 0.000 4.057 72 I HA 0.696 4.870 4.170 0.006 0.000 0.334 72 I C 0.753 176.842 176.117 -0.046 0.000 1.308 72 I CA 0.311 61.582 61.300 -0.048 0.000 1.125 72 I CB 0.431 38.392 38.000 -0.064 0.000 1.034 72 I HN 0.651 nan 8.210 nan 0.000 0.401 73 G N 1.117 109.889 108.800 -0.047 0.000 2.320 73 G HA2 0.553 4.517 3.960 0.006 0.000 0.296 73 G HA3 0.553 4.517 3.960 0.006 0.000 0.296 73 G C -1.634 173.216 174.900 -0.084 0.000 1.306 73 G CA -0.841 44.226 45.100 -0.056 0.000 0.836 73 G HN 0.048 nan 8.290 nan 0.000 0.517 74 M N 0.008 119.527 119.600 -0.134 0.000 2.520 74 M HA 0.580 5.063 4.480 0.006 0.000 0.283 74 M C -1.329 174.826 176.300 -0.242 0.000 1.237 74 M CA -0.750 54.406 55.300 -0.239 0.000 0.885 74 M CB 2.772 35.191 32.600 -0.303 0.000 1.727 74 M HN 0.338 nan 8.290 nan 0.000 0.468 75 I N 1.287 121.680 120.570 -0.295 0.000 2.533 75 I HA 0.353 4.527 4.170 0.006 0.000 0.290 75 I C -1.082 174.924 176.117 -0.185 0.000 1.056 75 I CA -0.610 60.500 61.300 -0.317 0.000 1.057 75 I CB 2.052 39.735 38.000 -0.529 0.000 1.240 75 I HN 0.590 nan 8.210 nan 0.000 0.423 76 D N 4.232 124.590 120.400 -0.071 0.000 2.302 76 D HA 0.567 5.210 4.640 0.006 0.000 0.248 76 D C 0.340 176.746 176.300 0.178 0.000 1.094 76 D CA 0.246 54.261 54.000 0.024 0.000 0.897 76 D CB 2.286 43.118 40.800 0.052 0.000 1.200 76 D HN 0.786 nan 8.370 nan 0.000 0.429 77 G N -0.549 108.320 108.800 0.115 0.000 2.798 77 G HA2 0.604 4.567 3.960 0.006 0.000 0.286 77 G HA3 0.604 4.567 3.960 0.006 0.000 0.286 77 G C 0.097 175.039 174.900 0.070 0.000 1.389 77 G CA -0.503 44.636 45.100 0.064 0.000 0.894 77 G HN 0.440 nan 8.290 nan 0.000 0.488 78 G N -0.967 107.860 108.800 0.045 0.000 3.182 78 G HA2 0.432 4.396 3.960 0.006 0.000 0.167 78 G HA3 0.432 4.396 3.960 0.006 0.000 0.167 78 G C -0.769 174.244 174.900 0.189 0.000 1.537 78 G CA -0.476 44.712 45.100 0.146 0.000 1.046 78 G HN 0.534 nan 8.290 nan 0.000 0.580 79 F N 1.442 121.429 119.950 0.062 0.000 2.424 79 F HA 0.499 5.030 4.527 0.006 0.000 0.356 79 F C 0.788 176.603 175.800 0.026 0.000 1.110 79 F CA -1.568 56.492 58.000 0.100 0.000 1.161 79 F CB -0.172 38.974 39.000 0.243 0.000 1.115 79 F HN 0.266 nan 8.300 nan 0.000 0.507 80 L N 6.001 127.060 121.223 -0.273 0.000 3.965 80 L HA -0.221 4.123 4.340 0.006 0.000 0.499 80 L C -2.303 174.415 176.870 -0.254 0.000 1.194 80 L CA -0.421 54.211 54.840 -0.347 0.000 0.707 80 L CB -1.494 40.184 42.059 -0.635 0.000 1.414 80 L HN 0.445 nan 8.230 nan 0.000 0.802 81 P HA 0.186 nan 4.420 nan 0.000 0.274 81 P C -0.463 176.755 177.300 -0.137 0.000 1.237 81 P CA -0.273 62.690 63.100 -0.228 0.000 0.793 81 P CB 0.617 32.135 31.700 -0.304 0.000 0.977 82 N N 1.570 120.200 118.700 -0.116 0.000 2.444 82 N HA 0.354 5.098 4.740 0.006 0.000 0.262 82 N C -2.485 173.029 175.510 0.007 0.000 0.974 82 N CA -1.620 51.403 53.050 -0.045 0.000 0.933 82 N CB 0.774 39.242 38.487 -0.031 0.000 1.137 82 N HN 0.321 nan 8.380 nan 0.000 0.498 83 P HA 0.212 nan 4.420 nan 0.000 0.288 83 P C -0.991 176.263 177.300 -0.078 0.000 1.267 83 P CA -0.481 62.620 63.100 0.001 0.000 0.815 83 P CB 1.310 32.990 31.700 -0.033 0.000 0.989 84 V N 0.548 120.415 119.914 -0.078 0.000 2.962 84 V HA 0.744 4.867 4.120 0.006 0.000 0.313 84 V C -0.869 175.096 176.094 -0.215 0.000 1.099 84 V CA -1.061 61.157 62.300 -0.135 0.000 0.971 84 V CB 2.232 34.024 31.823 -0.051 0.000 1.028 84 V HN 0.241 nan 8.190 nan 0.000 0.430 85 V N 2.393 122.144 119.914 -0.271 0.000 2.569 85 V HA 0.772 4.896 4.120 0.006 0.000 0.301 85 V C 0.613 176.506 176.094 -0.334 0.000 1.044 85 V CA -0.142 61.938 62.300 -0.367 0.000 0.874 85 V CB 1.554 33.125 31.823 -0.421 0.000 1.002 85 V HN 1.483 nan 8.190 nan 0.000 0.424 86 A N 2.723 125.209 122.820 -0.556 0.000 2.520 86 A HA 0.214 4.538 4.320 0.006 0.000 0.245 86 A C 1.096 178.545 177.584 -0.226 0.000 1.072 86 A CA 0.005 51.737 52.037 -0.508 0.000 0.761 86 A CB 0.011 18.467 19.000 -0.907 0.000 1.004 86 A HN 0.874 nan 8.150 nan 0.000 0.499 87 D N 1.170 121.505 120.400 -0.108 0.000 2.178 87 D HA -0.145 4.499 4.640 0.006 0.000 0.201 87 D C 1.187 177.472 176.300 -0.025 0.000 0.980 87 D CA 1.821 55.799 54.000 -0.036 0.000 0.842 87 D CB -0.016 40.785 40.800 0.002 0.000 0.948 87 D HN 0.806 nan 8.370 nan 0.000 0.472 88 D N -1.049 119.333 120.400 -0.031 0.000 2.349 88 D HA 0.064 4.707 4.640 0.006 0.000 0.224 88 D C 1.496 177.797 176.300 0.002 0.000 1.029 88 D CA 0.861 54.861 54.000 -0.000 0.000 0.879 88 D CB -0.267 40.548 40.800 0.025 0.000 0.906 88 D HN 0.188 nan 8.370 nan 0.000 0.528 89 G N 0.166 108.950 108.800 -0.027 0.000 2.159 89 G HA2 -0.360 3.604 3.960 0.006 0.000 0.256 89 G HA3 -0.360 3.604 3.960 0.006 0.000 0.256 89 G C 1.134 176.051 174.900 0.028 0.000 0.977 89 G CA 0.864 45.968 45.100 0.007 0.000 0.652 89 G HN 0.672 nan 8.290 nan 0.000 0.531 90 S N -0.737 114.978 115.700 0.024 0.000 2.496 90 S HA 0.545 5.019 4.470 0.006 0.000 0.224 90 S C 0.618 175.383 174.600 0.274 0.000 0.996 90 S CA 1.085 59.372 58.200 0.146 0.000 0.927 90 S CB -0.218 63.109 63.200 0.211 0.000 0.774 90 S HN 1.921 nan 8.310 nan 0.000 0.524 91 F N -0.311 119.669 119.950 0.050 0.000 2.770 91 F HA 0.715 5.245 4.527 0.005 0.000 0.313 91 F C -1.504 174.313 175.800 0.029 0.000 1.154 91 F CA -1.874 56.157 58.000 0.051 0.000 0.923 91 F CB 0.861 39.886 39.000 0.041 0.000 1.301 91 F HN 0.089 nan 8.300 nan 0.000 0.449 92 I N 0.419 121.129 120.570 0.232 0.000 3.002 92 I HA 1.044 5.217 4.170 0.006 0.000 0.310 92 I C -1.105 175.223 176.117 0.351 0.000 1.087 92 I CA -1.164 60.176 61.300 0.066 0.000 1.017 92 I CB 1.764 39.692 38.000 -0.119 0.000 1.226 92 I HN 1.225 nan 8.210 nan 0.000 0.443 93 A N 2.515 125.465 122.820 0.216 0.000 2.610 93 A HA 0.819 5.142 4.320 0.006 0.000 0.291 93 A C -1.480 176.216 177.584 0.186 0.000 1.086 93 A CA -0.565 51.620 52.037 0.247 0.000 0.677 93 A CB 1.636 20.800 19.000 0.273 0.000 1.278 93 A HN 1.141 nan 8.150 nan 0.000 0.414 94 H N -1.063 118.113 119.070 0.177 0.000 3.016 94 H HA 0.829 5.389 4.556 0.007 0.000 0.362 94 H C -0.609 174.676 175.328 -0.071 0.000 1.233 94 H CA -0.725 55.353 56.048 0.050 0.000 1.124 94 H CB 1.924 31.721 29.762 0.060 0.000 1.850 94 H HN 1.083 nan 8.280 nan 0.000 0.549 95 A N 1.790 124.609 122.820 -0.002 0.000 2.292 95 A HA 0.567 4.890 4.320 0.006 0.000 0.319 95 A C -0.327 176.983 177.584 -0.458 0.000 1.206 95 A CA -0.283 51.602 52.037 -0.252 0.000 0.835 95 A CB 1.417 20.276 19.000 -0.235 0.000 1.164 95 A HN 0.676 nan 8.150 nan 0.000 0.505 96 S N 0.432 115.670 115.700 -0.771 0.000 2.685 96 S HA 0.873 5.346 4.470 0.006 0.000 0.282 96 S C -0.838 173.352 174.600 -0.683 0.000 1.159 96 S CA -0.319 57.392 58.200 -0.815 0.000 0.833 96 S CB 1.887 64.464 63.200 -1.038 0.000 1.151 96 S HN 0.868 nan 8.310 nan 0.000 0.485 97 T N 1.444 115.843 114.554 -0.257 0.000 3.071 97 T HA 0.612 4.965 4.350 0.006 0.000 0.311 97 T C -1.050 173.650 174.700 0.000 0.000 1.042 97 T CA -0.478 61.560 62.100 -0.102 0.000 1.028 97 T CB 1.134 69.974 68.868 -0.046 0.000 1.068 97 T HN 1.038 nan 8.240 nan 0.000 0.451 98 V N 0.415 120.248 119.914 -0.133 0.000 3.102 98 V HA 0.949 5.073 4.120 0.006 0.000 0.312 98 V C -1.581 174.184 176.094 -0.548 0.000 1.135 98 V CA -1.172 61.046 62.300 -0.137 0.000 1.022 98 V CB 1.900 33.743 31.823 0.033 0.000 1.056 98 V HN 0.719 nan 8.190 nan 0.000 0.436 99 F N 0.230 120.197 119.950 0.028 0.000 2.577 99 F HA 0.619 5.150 4.527 0.006 0.000 0.318 99 F C 1.495 177.289 175.800 -0.011 0.000 1.065 99 F CA -0.105 57.894 58.000 -0.001 0.000 0.929 99 F CB 2.505 41.488 39.000 -0.029 0.000 1.237 99 F HN 0.680 nan 8.300 nan 0.000 0.468 100 S N 0.280 116.074 115.700 0.156 0.000 2.453 100 S HA 0.043 4.516 4.470 0.006 0.000 0.231 100 S C 0.824 175.465 174.600 0.068 0.000 1.005 100 S CA 0.693 58.938 58.200 0.075 0.000 0.949 100 S CB -0.126 63.099 63.200 0.042 0.000 0.774 100 S HN 0.493 nan 8.310 nan 0.000 0.510 101 R N 0.473 121.025 120.500 0.086 0.000 2.681 101 R HA 0.518 4.862 4.340 0.006 0.000 0.277 101 R C -0.129 176.187 176.300 0.026 0.000 1.563 101 R CA -0.153 55.970 56.100 0.040 0.000 1.673 101 R CB -0.660 29.648 30.300 0.013 0.000 1.258 101 R HN 0.366 nan 8.270 nan 0.000 0.650 102 I N -0.239 120.364 120.570 0.055 0.000 4.828 102 I HA -0.485 3.689 4.170 0.006 0.000 0.040 102 I C 1.100 177.211 176.117 -0.009 0.000 0.633 102 I CA 2.471 63.789 61.300 0.030 0.000 0.495 102 I CB -1.119 36.869 38.000 -0.020 0.000 0.501 102 I HN 0.441 nan 8.210 nan 0.000 0.152 103 A N 0.262 122.967 122.820 -0.191 0.000 2.600 103 A HA 0.579 4.903 4.320 0.006 0.000 0.252 103 A C 0.671 177.843 177.584 -0.688 0.000 1.200 103 A CA 0.395 52.093 52.037 -0.565 0.000 0.981 103 A CB 0.293 19.017 19.000 -0.460 0.000 1.207 103 A HN 0.418 nan 8.150 nan 0.000 0.577 104 R N -1.096 119.221 120.500 -0.306 0.000 2.867 104 R HA 0.587 4.930 4.340 0.006 0.000 0.268 104 R C 0.496 176.811 176.300 0.025 0.000 1.014 104 R CA 0.420 56.419 56.100 -0.169 0.000 0.946 104 R CB 1.421 31.651 30.300 -0.116 0.000 1.208 104 R HN 1.014 nan 8.270 nan 0.000 0.477 105 G N 1.645 110.479 108.800 0.056 0.000 2.508 105 G HA2 -0.254 3.709 3.960 0.006 0.000 0.220 105 G HA3 -0.254 3.709 3.960 0.006 0.000 0.220 105 G C -0.958 174.036 174.900 0.157 0.000 1.287 105 G CA -0.030 45.124 45.100 0.089 0.000 0.916 105 G HN 0.736 nan 8.290 nan 0.000 0.574 106 E N 0.537 120.802 120.200 0.108 0.000 2.324 106 E HA 0.378 4.731 4.350 0.006 0.000 0.271 106 E C 0.784 177.414 176.600 0.051 0.000 1.028 106 E CA -0.383 56.059 56.400 0.071 0.000 0.890 106 E CB 0.359 30.072 29.700 0.021 0.000 1.004 106 E HN 0.589 nan 8.360 nan 0.000 0.431 107 R N 3.034 123.534 120.500 -0.000 0.000 2.357 107 R HA 0.213 4.557 4.340 0.006 0.000 0.296 107 R C -1.070 175.095 176.300 -0.225 0.000 1.052 107 R CA -0.094 55.847 56.100 -0.266 0.000 0.988 107 R CB 1.049 31.257 30.300 -0.154 0.000 1.025 107 R HN 0.412 nan 8.270 nan 0.000 0.469 108 T N 3.818 118.203 114.554 -0.280 0.000 2.840 108 T HA 0.254 4.607 4.350 0.006 0.000 0.287 108 T C -1.290 173.369 174.700 -0.069 0.000 0.991 108 T CA -0.832 61.188 62.100 -0.133 0.000 0.964 108 T CB 1.399 70.211 68.868 -0.093 0.000 0.954 108 T HN 0.513 nan 8.240 nan 0.000 0.438 109 D N 2.292 122.648 120.400 -0.073 0.000 2.181 109 D HA 0.618 5.261 4.640 0.006 0.000 0.248 109 D C -0.602 175.688 176.300 -0.017 0.000 1.020 109 D CA -0.049 53.886 54.000 -0.109 0.000 0.891 109 D CB 1.379 42.035 40.800 -0.241 0.000 1.187 109 D HN 0.617 nan 8.370 nan 0.000 0.443 110 Y N -2.145 118.037 120.300 -0.196 0.000 2.624 110 Y HA 0.594 5.147 4.550 0.005 0.000 0.334 110 Y C -1.741 174.094 175.900 -0.109 0.000 1.155 110 Y CA -1.296 56.718 58.100 -0.142 0.000 1.046 110 Y CB 0.492 38.894 38.460 -0.097 0.000 1.316 110 Y HN 0.084 nan 8.280 nan 0.000 0.457 111 V N 2.341 122.230 119.914 -0.041 0.000 2.435 111 V HA 0.440 4.564 4.120 0.006 0.000 0.290 111 V C -0.559 175.583 176.094 0.079 0.000 1.030 111 V CA -0.686 61.594 62.300 -0.033 0.000 0.881 111 V CB 1.510 33.328 31.823 -0.007 0.000 0.983 111 V HN 0.823 nan 8.190 nan 0.000 0.445 112 E N 2.708 122.943 120.200 0.058 0.000 2.183 112 E HA 0.614 4.967 4.350 0.006 0.000 0.271 112 E C -1.369 174.964 176.600 -0.444 0.000 0.919 112 E CA -0.587 55.666 56.400 -0.244 0.000 0.781 112 E CB 2.516 31.951 29.700 -0.440 0.000 1.140 112 E HN 0.444 nan 8.360 nan 0.000 0.402 113 V N 3.830 123.450 119.914 -0.489 0.000 2.483 113 V HA 0.462 4.586 4.120 0.006 0.000 0.295 113 V C -0.729 175.070 176.094 -0.491 0.000 1.035 113 V CA -0.597 61.504 62.300 -0.332 0.000 0.896 113 V CB 0.642 32.307 31.823 -0.264 0.000 0.986 113 V HN 0.511 nan 8.190 nan 0.000 0.447 114 F N 1.342 121.307 119.950 0.024 0.000 2.546 114 F HA 0.417 4.947 4.527 0.005 0.000 0.320 114 F C 0.308 176.151 175.800 0.071 0.000 1.076 114 F CA -0.845 57.166 58.000 0.017 0.000 0.928 114 F CB 1.337 40.325 39.000 -0.020 0.000 1.189 114 F HN 0.463 nan 8.300 nan 0.000 0.465 115 D N 3.808 124.351 120.400 0.238 0.000 2.389 115 D HA 0.093 4.736 4.640 0.006 0.000 0.247 115 D C -1.816 174.591 176.300 0.178 0.000 1.128 115 D CA -1.479 52.627 54.000 0.176 0.000 0.884 115 D CB 1.872 42.741 40.800 0.116 0.000 1.194 115 D HN 0.233 nan 8.370 nan 0.000 0.441 116 P HA -0.035 nan 4.420 nan 0.000 0.249 116 P C 1.126 178.484 177.300 0.097 0.000 1.229 116 P CA 0.287 63.474 63.100 0.144 0.000 0.788 116 P CB 0.351 32.139 31.700 0.146 0.000 1.072 117 V N -2.205 117.757 119.914 0.080 0.000 3.307 117 V HA 0.073 4.196 4.120 0.006 0.000 0.244 117 V C 2.090 178.210 176.094 0.044 0.000 1.196 117 V CA 1.470 63.801 62.300 0.051 0.000 1.132 117 V CB -0.939 30.910 31.823 0.042 0.000 0.875 117 V HN 0.098 nan 8.190 nan 0.000 0.468 118 T N -1.584 113.004 114.554 0.056 0.000 3.067 118 T HA 0.217 4.571 4.350 0.006 0.000 0.257 118 T C 1.303 176.036 174.700 0.055 0.000 1.105 118 T CA 0.745 62.874 62.100 0.049 0.000 1.104 118 T CB -0.397 68.503 68.868 0.052 0.000 0.925 118 T HN 0.643 nan 8.240 nan 0.000 0.498 119 L N -0.531 120.737 121.223 0.075 0.000 4.367 119 L HA -0.148 4.195 4.340 0.006 0.000 0.424 119 L C -0.052 176.927 176.870 0.181 0.000 1.152 119 L CA 0.036 54.923 54.840 0.079 0.000 0.974 119 L CB -2.117 39.924 42.059 -0.030 0.000 2.012 119 L HN 0.404 nan 8.230 nan 0.000 0.922 120 L N 1.120 122.447 121.223 0.173 0.000 2.397 120 L HA 0.337 4.680 4.340 0.006 0.000 0.271 120 L C -1.648 175.343 176.870 0.202 0.000 1.148 120 L CA -1.720 53.224 54.840 0.172 0.000 0.825 120 L CB 0.380 42.491 42.059 0.087 0.000 1.117 120 L HN -0.252 nan 8.230 nan 0.000 0.456 121 P HA 0.028 nan 4.420 nan 0.000 0.267 121 P C 0.336 177.567 177.300 -0.115 0.000 1.209 121 P CA -0.053 62.954 63.100 -0.155 0.000 0.763 121 P CB 0.667 32.276 31.700 -0.151 0.000 0.816 122 T N -0.142 114.316 114.554 -0.161 0.000 3.001 122 T HA 0.527 4.881 4.350 0.006 0.000 0.251 122 T C 0.453 175.076 174.700 -0.129 0.000 1.040 122 T CA -0.108 61.930 62.100 -0.104 0.000 0.985 122 T CB 0.266 69.090 68.868 -0.074 0.000 1.011 122 T HN 0.440 nan 8.240 nan 0.000 0.509 123 A N 0.822 123.533 122.820 -0.182 0.000 2.488 123 A HA 0.639 4.963 4.320 0.006 0.000 0.298 123 A C -1.914 175.579 177.584 -0.151 0.000 1.044 123 A CA -0.673 51.277 52.037 -0.146 0.000 0.693 123 A CB 1.693 20.606 19.000 -0.145 0.000 1.272 123 A HN 0.154 nan 8.150 nan 0.000 0.402 124 D N 2.460 122.807 120.400 -0.087 0.000 2.469 124 D HA 0.526 5.170 4.640 0.006 0.000 0.251 124 D C -1.296 175.003 176.300 -0.001 0.000 1.173 124 D CA 0.008 53.984 54.000 -0.040 0.000 0.882 124 D CB 0.888 41.644 40.800 -0.074 0.000 1.129 124 D HN 0.421 nan 8.370 nan 0.000 0.549 125 I N 3.004 123.603 120.570 0.047 0.000 2.382 125 I HA 0.214 4.388 4.170 0.006 0.000 0.285 125 I C 0.520 176.683 176.117 0.077 0.000 1.007 125 I CA -0.800 60.531 61.300 0.052 0.000 1.142 125 I CB 1.745 39.778 38.000 0.055 0.000 1.289 125 I HN 0.251 nan 8.210 nan 0.000 0.453 126 E N 5.991 126.220 120.200 0.049 0.000 2.373 126 E HA 0.248 4.601 4.350 0.006 0.000 0.267 126 E C -1.242 175.336 176.600 -0.036 0.000 1.032 126 E CA -0.592 55.821 56.400 0.023 0.000 0.889 126 E CB 0.863 30.556 29.700 -0.012 0.000 0.984 126 E HN 0.329 nan 8.360 nan 0.000 0.425 127 L N 7.338 128.485 121.223 -0.128 0.000 2.280 127 L HA 0.373 4.716 4.340 0.006 0.000 0.287 127 L C -2.154 174.505 176.870 -0.351 0.000 1.023 127 L CA -2.559 52.093 54.840 -0.312 0.000 0.819 127 L CB 0.887 42.711 42.059 -0.391 0.000 1.212 127 L HN 0.554 nan 8.230 nan 0.000 0.420 128 P HA 0.095 nan 4.420 nan 0.000 0.268 128 P C -0.370 176.785 177.300 -0.241 0.000 1.205 128 P CA 0.041 62.963 63.100 -0.298 0.000 0.771 128 P CB 0.558 32.098 31.700 -0.267 0.000 0.858 129 D N 1.280 121.597 120.400 -0.139 0.000 2.800 129 D HA -0.200 4.444 4.640 0.006 0.000 0.232 129 D C 0.231 176.486 176.300 -0.076 0.000 1.137 129 D CA 1.452 55.399 54.000 -0.088 0.000 0.718 129 D CB -1.860 38.898 40.800 -0.069 0.000 1.084 129 D HN 0.726 nan 8.370 nan 0.000 0.432 130 A N -1.123 121.638 122.820 -0.097 0.000 2.466 130 A HA -0.178 4.145 4.320 0.006 0.000 0.295 130 A C -0.835 176.723 177.584 -0.043 0.000 1.465 130 A CA 0.967 52.959 52.037 -0.076 0.000 0.744 130 A CB -0.922 18.060 19.000 -0.031 0.000 1.098 130 A HN 0.341 nan 8.150 nan 0.000 0.402 131 P HA 0.023 nan 4.420 nan 0.000 0.255 131 P C 0.537 177.929 177.300 0.152 0.000 1.248 131 P CA 0.247 63.380 63.100 0.055 0.000 0.807 131 P CB 0.166 31.946 31.700 0.133 0.000 1.150 132 R N -0.008 120.501 120.500 0.015 0.000 2.694 132 R HA 0.192 4.535 4.340 0.006 0.000 0.268 132 R C 0.053 176.498 176.300 0.242 0.000 1.061 132 R CA -0.424 55.724 56.100 0.080 0.000 1.133 132 R CB 0.058 30.297 30.300 -0.100 0.000 1.020 132 R HN 0.019 nan 8.270 nan 0.000 0.475 133 F N 3.632 123.658 119.950 0.127 0.000 2.424 133 F HA 0.211 4.742 4.527 0.006 0.000 0.356 133 F C -0.488 175.323 175.800 0.018 0.000 1.110 133 F CA -1.083 57.001 58.000 0.140 0.000 1.161 133 F CB 0.259 39.432 39.000 0.287 0.000 1.115 133 F HN 0.254 nan 8.300 nan 0.000 0.507 134 L N 7.953 129.189 121.223 0.022 0.000 2.261 134 L HA 0.589 4.932 4.340 0.006 0.000 0.289 134 L C -0.387 176.120 176.870 -0.604 0.000 1.059 134 L CA -0.625 54.046 54.840 -0.282 0.000 0.816 134 L CB 0.998 43.007 42.059 -0.084 0.000 1.191 134 L HN 0.490 nan 8.230 nan 0.000 0.431 135 V N 2.194 121.666 119.914 -0.737 0.000 3.204 135 V HA 0.630 4.753 4.120 0.006 0.000 0.298 135 V C 0.139 175.978 176.094 -0.425 0.000 1.328 135 V CA -0.472 61.354 62.300 -0.790 0.000 1.035 135 V CB 2.355 33.266 31.823 -1.520 0.000 1.095 135 V HN 0.711 nan 8.190 nan 0.000 0.442 136 G N 2.121 110.854 108.800 -0.111 0.000 2.321 136 G HA2 0.283 4.246 3.960 0.006 0.000 0.237 136 G HA3 0.283 4.246 3.960 0.006 0.000 0.237 136 G C 0.152 175.163 174.900 0.186 0.000 1.282 136 G CA 0.555 45.830 45.100 0.291 0.000 0.886 136 G HN 0.984 nan 8.290 nan 0.000 0.528 137 T N 3.117 117.916 114.554 0.408 0.000 2.784 137 T HA 0.148 4.502 4.350 0.006 0.000 0.291 137 T C -0.634 174.438 174.700 0.620 0.000 0.942 137 T CA 0.544 62.836 62.100 0.320 0.000 1.161 137 T CB -0.056 68.971 68.868 0.264 0.000 0.885 137 T HN 0.302 nan 8.240 nan 0.000 0.534 138 Y N 4.080 124.458 120.300 0.130 0.000 2.342 138 Y HA 0.328 4.881 4.550 0.005 0.000 0.338 138 Y C -1.743 174.149 175.900 -0.014 0.000 0.965 138 Y CA -3.679 54.399 58.100 -0.037 0.000 1.159 138 Y CB 0.833 39.208 38.460 -0.142 0.000 1.157 138 Y HN 0.447 nan 8.280 nan 0.000 0.486 139 P HA -0.186 nan 4.420 nan 0.000 0.216 139 P C 0.456 177.483 177.300 -0.454 0.000 1.154 139 P CA 1.999 64.960 63.100 -0.232 0.000 0.865 139 P CB 0.100 31.583 31.700 -0.361 0.000 0.789 140 W N -2.162 119.227 121.300 0.148 0.000 3.391 140 W HA 0.211 4.874 4.660 0.005 0.000 0.372 140 W C 1.430 177.950 176.519 0.002 0.000 1.171 140 W CA -0.175 57.192 57.345 0.036 0.000 1.862 140 W CB -0.497 28.893 29.460 -0.118 0.000 1.048 140 W HN -0.113 nan 8.180 nan 0.000 0.726 141 M N -0.308 119.384 119.600 0.154 0.000 2.561 141 M HA 0.160 4.644 4.480 0.006 0.000 0.238 141 M C -0.014 176.377 176.300 0.152 0.000 1.131 141 M CA 1.008 56.387 55.300 0.132 0.000 1.046 141 M CB -0.606 32.093 32.600 0.164 0.000 1.532 141 M HN -0.321 nan 8.290 nan 0.000 0.497 142 T N -0.062 114.541 114.554 0.081 0.000 3.105 142 T HA 0.492 4.845 4.350 0.006 0.000 0.321 142 T C -0.797 173.922 174.700 0.032 0.000 1.135 142 T CA -0.503 61.653 62.100 0.093 0.000 1.053 142 T CB 2.306 71.228 68.868 0.090 0.000 1.133 142 T HN -0.026 nan 8.240 nan 0.000 0.463 143 S N 2.151 117.904 115.700 0.089 0.000 2.533 143 S HA 0.572 5.046 4.470 0.006 0.000 0.271 143 S C -1.043 173.668 174.600 0.185 0.000 1.143 143 S CA -0.815 57.482 58.200 0.162 0.000 0.891 143 S CB 1.168 64.565 63.200 0.328 0.000 1.105 143 S HN 0.550 nan 8.310 nan 0.000 0.468 144 L N 2.577 123.932 121.223 0.220 0.000 2.343 144 L HA 0.518 4.862 4.340 0.006 0.000 0.275 144 L C 0.981 178.013 176.870 0.271 0.000 1.056 144 L CA -0.697 54.279 54.840 0.227 0.000 0.804 144 L CB 1.404 43.576 42.059 0.189 0.000 1.203 144 L HN 0.808 nan 8.230 nan 0.000 0.440 145 T N -1.325 113.383 114.554 0.257 0.000 2.860 145 T HA 0.177 4.530 4.350 0.006 0.000 0.299 145 T C -1.749 173.083 174.700 0.220 0.000 1.045 145 T CA -1.501 60.756 62.100 0.262 0.000 1.071 145 T CB 0.932 69.952 68.868 0.254 0.000 0.985 145 T HN 0.433 nan 8.240 nan 0.000 0.537 146 P HA -0.067 nan 4.420 nan 0.000 0.222 146 P C 0.846 178.223 177.300 0.130 0.000 1.147 146 P CA 1.003 64.195 63.100 0.152 0.000 0.790 146 P CB -0.115 31.663 31.700 0.132 0.000 0.780 147 D N -0.875 119.605 120.400 0.133 0.000 2.371 147 D HA 0.007 4.650 4.640 0.006 0.000 0.221 147 D C 1.551 177.950 176.300 0.165 0.000 0.986 147 D CA 0.894 54.968 54.000 0.124 0.000 0.899 147 D CB -1.257 39.604 40.800 0.101 0.000 0.902 147 D HN 0.230 nan 8.370 nan 0.000 0.530 148 G N 0.466 109.390 108.800 0.206 0.000 2.155 148 G HA2 -0.405 3.558 3.960 0.006 0.000 0.257 148 G HA3 -0.405 3.558 3.960 0.006 0.000 0.257 148 G C 0.994 176.071 174.900 0.295 0.000 0.983 148 G CA 0.645 45.939 45.100 0.323 0.000 0.676 148 G HN 0.485 nan 8.290 nan 0.000 0.528 149 K N -0.494 120.017 120.400 0.185 0.000 2.361 149 K HA 0.184 4.507 4.320 0.006 0.000 0.194 149 K C 0.492 177.159 176.600 0.111 0.000 1.032 149 K CA 0.934 57.288 56.287 0.112 0.000 1.048 149 K CB 0.496 33.047 32.500 0.086 0.000 0.842 149 K HN 0.348 nan 8.250 nan 0.000 0.526 150 T N 0.853 115.505 114.554 0.163 0.000 2.876 150 T HA 0.399 4.752 4.350 0.006 0.000 0.289 150 T C -1.358 173.450 174.700 0.180 0.000 1.014 150 T CA -0.666 61.532 62.100 0.165 0.000 0.986 150 T CB 2.073 71.069 68.868 0.215 0.000 1.021 150 T HN -0.002 nan 8.240 nan 0.000 0.458 151 L N 3.762 125.078 121.223 0.154 0.000 2.322 151 L HA 0.710 5.054 4.340 0.006 0.000 0.281 151 L C -1.572 175.372 176.870 0.124 0.000 1.014 151 L CA -0.880 54.059 54.840 0.165 0.000 0.815 151 L CB 0.718 42.885 42.059 0.179 0.000 1.247 151 L HN 0.571 nan 8.230 nan 0.000 0.421 152 L N 5.852 127.114 121.223 0.064 0.000 2.333 152 L HA 0.552 4.895 4.340 0.006 0.000 0.280 152 L C -0.847 176.021 176.870 -0.003 0.000 1.004 152 L CA -0.593 54.179 54.840 -0.113 0.000 0.820 152 L CB 1.445 43.306 42.059 -0.331 0.000 1.247 152 L HN 0.547 nan 8.230 nan 0.000 0.416 153 F N 1.278 121.187 119.950 -0.068 0.000 2.563 153 F HA 0.599 5.129 4.527 0.005 0.000 0.316 153 F C -0.956 174.863 175.800 0.032 0.000 1.076 153 F CA -1.276 56.728 58.000 0.006 0.000 0.921 153 F CB 0.989 40.003 39.000 0.023 0.000 1.209 153 F HN 0.287 nan 8.300 nan 0.000 0.462 154 Y N 2.369 122.730 120.300 0.101 0.000 2.320 154 Y HA 0.425 4.978 4.550 0.006 0.000 0.324 154 Y C -0.518 175.471 175.900 0.149 0.000 1.190 154 Y CA -0.448 57.654 58.100 0.004 0.000 1.215 154 Y CB 1.287 39.786 38.460 0.066 0.000 1.221 154 Y HN 0.865 nan 8.280 nan 0.000 0.486 155 Q N 5.313 124.738 119.800 -0.625 0.000 2.340 155 Q HA 0.237 4.581 4.340 0.006 0.000 0.268 155 Q C -1.074 174.414 176.000 -0.853 0.000 1.031 155 Q CA -0.579 54.982 55.803 -0.403 0.000 0.804 155 Q CB 1.207 29.800 28.738 -0.240 0.000 1.286 155 Q HN 0.895 nan 8.270 nan 0.000 0.448 156 F N 2.015 121.564 119.950 -0.668 0.000 2.505 156 F HA 0.322 4.853 4.527 0.006 0.000 0.289 156 F C 0.393 176.025 175.800 -0.279 0.000 1.101 156 F CA 0.156 57.781 58.000 -0.624 0.000 1.446 156 F CB 1.004 39.411 39.000 -0.988 0.000 1.123 156 F HN 0.445 nan 8.300 nan 0.000 0.564 157 S N 1.442 117.051 115.700 -0.151 0.000 2.454 157 S HA 0.408 4.881 4.470 0.006 0.000 0.306 157 S C -1.695 172.835 174.600 -0.116 0.000 1.100 157 S CA -1.456 56.664 58.200 -0.132 0.000 1.087 157 S CB 1.235 64.487 63.200 0.086 0.000 1.019 157 S HN 0.061 nan 8.310 nan 0.000 0.480 158 P HA 0.292 nan 4.420 nan 0.000 0.236 158 P C -0.067 177.066 177.300 -0.277 0.000 1.177 158 P CA 0.278 63.280 63.100 -0.162 0.000 0.773 158 P CB 0.159 31.797 31.700 -0.104 0.000 0.878 159 A N -0.651 121.971 122.820 -0.329 0.000 2.612 159 A HA 0.605 4.928 4.320 0.006 0.000 0.293 159 A C -3.105 174.212 177.584 -0.444 0.000 1.075 159 A CA -1.719 50.089 52.037 -0.382 0.000 0.680 159 A CB 0.390 19.249 19.000 -0.236 0.000 1.279 159 A HN -0.281 nan 8.150 nan 0.000 0.411 160 P HA 0.331 nan 4.420 nan 0.000 0.260 160 P C -0.245 176.808 177.300 -0.412 0.000 1.172 160 P CA 1.237 64.035 63.100 -0.503 0.000 0.760 160 P CB 0.653 32.169 31.700 -0.307 0.000 0.773 161 A N 2.882 125.371 122.820 -0.551 0.000 2.602 161 A HA 0.724 5.047 4.320 0.006 0.000 0.290 161 A C -1.529 175.802 177.584 -0.423 0.000 1.114 161 A CA -0.484 51.338 52.037 -0.359 0.000 0.683 161 A CB 1.327 20.158 19.000 -0.282 0.000 1.281 161 A HN 0.248 nan 8.150 nan 0.000 0.416 162 V N 0.407 120.117 119.914 -0.340 0.000 2.623 162 V HA 0.662 4.786 4.120 0.006 0.000 0.304 162 V C 0.555 176.296 176.094 -0.589 0.000 1.054 162 V CA -0.076 61.940 62.300 -0.473 0.000 0.882 162 V CB 1.803 33.374 31.823 -0.421 0.000 1.002 162 V HN 1.443 nan 8.190 nan 0.000 0.424 163 G N 2.990 111.173 108.800 -1.028 0.000 2.356 163 G HA2 0.568 4.531 3.960 0.006 0.000 0.298 163 G HA3 0.568 4.531 3.960 0.006 0.000 0.298 163 G C -0.800 173.732 174.900 -0.613 0.000 1.145 163 G CA -0.380 44.147 45.100 -0.956 0.000 0.850 163 G HN 0.571 nan 8.290 nan 0.000 0.487 164 V N 2.731 122.422 119.914 -0.373 0.000 2.347 164 V HA 0.349 4.472 4.120 0.006 0.000 0.280 164 V C -0.142 175.852 176.094 -0.167 0.000 1.021 164 V CA -0.652 61.476 62.300 -0.286 0.000 0.847 164 V CB 1.332 32.957 31.823 -0.331 0.000 0.990 164 V HN 0.493 nan 8.190 nan 0.000 0.444 165 V N 3.606 123.544 119.914 0.041 0.000 2.384 165 V HA 0.341 4.465 4.120 0.006 0.000 0.287 165 V C -0.214 175.919 176.094 0.065 0.000 1.020 165 V CA -0.589 61.778 62.300 0.112 0.000 0.850 165 V CB 1.870 33.836 31.823 0.239 0.000 0.987 165 V HN 0.900 nan 8.190 nan 0.000 0.436 166 D N 4.279 124.697 120.400 0.030 0.000 2.352 166 D HA 0.224 4.867 4.640 0.006 0.000 0.245 166 D C 0.950 177.259 176.300 0.015 0.000 1.224 166 D CA 0.022 54.039 54.000 0.028 0.000 0.879 166 D CB 1.067 41.874 40.800 0.011 0.000 1.057 166 D HN 0.450 nan 8.370 nan 0.000 0.491 167 L N 2.718 123.943 121.223 0.003 0.000 2.217 167 L HA -0.009 4.334 4.340 0.006 0.000 0.211 167 L C 2.196 179.012 176.870 -0.090 0.000 1.107 167 L CA 0.578 55.378 54.840 -0.067 0.000 0.783 167 L CB -0.160 41.819 42.059 -0.134 0.000 0.919 167 L HN 0.492 nan 8.230 nan 0.000 0.442 168 E N 0.580 120.750 120.200 -0.050 0.000 2.046 168 E HA -0.131 4.222 4.350 0.006 0.000 0.190 168 E C 2.012 178.590 176.600 -0.036 0.000 0.982 168 E CA 1.041 57.413 56.400 -0.046 0.000 0.800 168 E CB -0.019 29.672 29.700 -0.015 0.000 0.756 168 E HN 0.446 nan 8.360 nan 0.000 0.449 169 G N 0.298 109.087 108.800 -0.019 0.000 3.042 169 G HA2 -0.066 3.898 3.960 0.006 0.000 0.212 169 G HA3 -0.066 3.898 3.960 0.006 0.000 0.212 169 G C -0.157 174.736 174.900 -0.011 0.000 1.166 169 G CA -0.131 44.962 45.100 -0.012 0.000 0.767 169 G HN 0.168 nan 8.290 nan 0.000 0.546 170 K N -0.867 119.521 120.400 -0.020 0.000 3.451 170 K HA -0.093 4.230 4.320 0.006 0.000 0.273 170 K C -0.112 176.499 176.600 0.018 0.000 0.944 170 K CA 0.340 56.618 56.287 -0.015 0.000 0.734 170 K CB -1.826 30.654 32.500 -0.033 0.000 1.437 170 K HN 0.664 nan 8.250 nan 0.000 0.454 171 A N 0.993 123.838 122.820 0.042 0.000 2.517 171 A HA 0.605 4.928 4.320 0.006 0.000 0.297 171 A C -0.887 176.767 177.584 0.118 0.000 1.050 171 A CA -0.904 51.180 52.037 0.079 0.000 0.694 171 A CB 0.822 19.852 19.000 0.049 0.000 1.277 171 A HN 0.312 nan 8.150 nan 0.000 0.400 172 F N 2.391 122.366 119.950 0.041 0.000 2.518 172 F HA 0.438 4.968 4.527 0.005 0.000 0.359 172 F C 0.913 176.745 175.800 0.054 0.000 1.118 172 F CA 0.382 58.422 58.000 0.067 0.000 1.287 172 F CB 0.855 39.901 39.000 0.077 0.000 1.132 172 F HN 0.569 nan 8.300 nan 0.000 0.587 173 K N 4.140 124.002 120.400 -0.898 0.000 2.267 173 K HA 0.254 4.578 4.320 0.006 0.000 0.213 173 K C -0.282 175.857 176.600 -0.769 0.000 1.060 173 K CA 0.503 56.439 56.287 -0.584 0.000 0.935 173 K CB -0.009 32.299 32.500 -0.319 0.000 1.096 173 K HN 0.766 nan 8.250 nan 0.000 0.468 174 R N -1.041 118.806 120.500 -1.088 0.000 2.774 174 R HA 0.423 4.766 4.340 0.006 0.000 0.279 174 R C -0.955 175.202 176.300 -0.238 0.000 1.022 174 R CA -0.592 55.234 56.100 -0.458 0.000 0.855 174 R CB 0.112 30.309 30.300 -0.172 0.000 1.279 174 R HN -0.215 nan 8.270 nan 0.000 0.485 175 M N 1.783 121.417 119.600 0.056 0.000 2.264 175 M HA 0.446 4.929 4.480 0.006 0.000 0.352 175 M C -0.690 175.556 176.300 -0.090 0.000 1.173 175 M CA -0.629 54.664 55.300 -0.012 0.000 1.075 175 M CB 1.006 33.631 32.600 0.042 0.000 1.621 175 M HN 0.584 nan 8.290 nan 0.000 0.457 176 L N 1.874 123.007 121.223 -0.150 0.000 2.289 176 L HA 0.353 4.696 4.340 0.006 0.000 0.285 176 L C 0.114 176.933 176.870 -0.086 0.000 1.049 176 L CA -0.829 53.952 54.840 -0.099 0.000 0.804 176 L CB 1.024 43.032 42.059 -0.085 0.000 1.195 176 L HN 0.538 nan 8.230 nan 0.000 0.428 177 D N 2.640 123.004 120.400 -0.060 0.000 2.351 177 D HA 0.409 5.052 4.640 0.006 0.000 0.251 177 D C -0.462 175.811 176.300 -0.045 0.000 1.137 177 D CA -0.109 53.853 54.000 -0.064 0.000 0.879 177 D CB 1.367 42.139 40.800 -0.048 0.000 1.181 177 D HN 0.281 nan 8.370 nan 0.000 0.448 178 V N 1.221 121.104 119.914 -0.052 0.000 3.164 178 V HA 0.791 4.915 4.120 0.006 0.000 0.313 178 V C -2.492 173.590 176.094 -0.019 0.000 1.188 178 V CA -1.761 60.527 62.300 -0.020 0.000 1.058 178 V CB 0.984 32.821 31.823 0.023 0.000 1.110 178 V HN 0.426 nan 8.190 nan 0.000 0.453 179 P HA 0.295 nan 4.420 nan 0.000 0.312 179 P C -1.042 176.272 177.300 0.022 0.000 1.308 179 P CA -0.188 62.942 63.100 0.051 0.000 0.743 179 P CB 0.191 31.988 31.700 0.162 0.000 1.364 180 D N -0.032 120.398 120.400 0.049 0.000 2.498 180 D HA 0.155 4.798 4.640 0.006 0.000 0.229 180 D C -0.919 175.431 176.300 0.084 0.000 1.188 180 D CA -0.033 53.995 54.000 0.046 0.000 1.028 180 D CB -1.215 39.650 40.800 0.109 0.000 1.087 180 D HN 0.269 nan 8.370 nan 0.000 0.510 181 C N 1.711 120.937 119.300 -0.123 0.000 3.236 181 C HA 0.770 5.233 4.460 0.006 0.000 0.312 181 C C -0.992 173.747 174.990 -0.418 0.000 1.374 181 C CA -1.204 57.807 59.018 -0.012 0.000 1.455 181 C CB 0.634 28.472 27.740 0.164 0.000 1.834 181 C HN 0.390 nan 8.230 nan 0.000 0.460 182 Y N -1.077 119.348 120.300 0.209 0.000 2.534 182 Y HA 0.652 5.206 4.550 0.005 0.000 0.345 182 Y C 0.025 176.005 175.900 0.134 0.000 1.031 182 Y CA 0.125 58.196 58.100 -0.049 0.000 1.022 182 Y CB 1.023 39.532 38.460 0.083 0.000 1.292 182 Y HN 1.091 nan 8.280 nan 0.000 0.459 183 H N 0.404 119.412 119.070 -0.103 0.000 4.796 183 H HA -0.080 4.479 4.556 0.005 0.000 0.258 183 H C -1.604 173.571 175.328 -0.255 0.000 0.528 183 H CA 0.404 56.368 56.048 -0.140 0.000 0.683 183 H CB -0.285 29.445 29.762 -0.053 0.000 0.880 183 H HN 0.624 nan 8.280 nan 0.000 0.305 184 I N 1.899 122.229 120.570 -0.399 0.000 2.531 184 I HA 0.217 4.390 4.170 0.006 0.000 0.283 184 I C -0.948 174.918 176.117 -0.417 0.000 1.083 184 I CA -0.223 60.923 61.300 -0.256 0.000 1.071 184 I CB 0.820 38.698 38.000 -0.202 0.000 1.210 184 I HN 0.220 nan 8.210 nan 0.000 0.450 185 F N 6.885 126.932 119.950 0.162 0.000 2.311 185 F HA 0.478 5.008 4.527 0.005 0.000 0.371 185 F C -2.425 173.460 175.800 0.141 0.000 1.083 185 F CA -2.798 55.072 58.000 -0.216 0.000 1.113 185 F CB 0.776 39.237 39.000 -0.898 0.000 1.349 185 F HN 0.143 nan 8.300 nan 0.000 0.470 186 P HA 0.209 nan 4.420 nan 0.000 0.280 186 P C 0.633 178.227 177.300 0.490 0.000 1.244 186 P CA -0.167 63.238 63.100 0.510 0.000 0.784 186 P CB 1.151 33.117 31.700 0.443 0.000 0.913 187 T N -0.657 114.155 114.554 0.430 0.000 2.975 187 T HA 0.627 4.980 4.350 0.006 0.000 0.257 187 T C 0.423 175.263 174.700 0.233 0.000 1.003 187 T CA -0.027 62.276 62.100 0.338 0.000 0.932 187 T CB 0.230 69.310 68.868 0.354 0.000 1.087 187 T HN 0.477 nan 8.240 nan 0.000 0.512 188 A N 1.301 124.254 122.820 0.222 0.000 2.557 188 A HA 0.741 5.065 4.320 0.006 0.000 0.292 188 A C -2.470 175.192 177.584 0.130 0.000 1.139 188 A CA -1.381 50.738 52.037 0.137 0.000 0.665 188 A CB 0.310 19.359 19.000 0.081 0.000 1.285 188 A HN -0.089 nan 8.150 nan 0.000 0.433 189 P HA -0.090 nan 4.420 nan 0.000 0.219 189 P C 0.038 177.298 177.300 -0.067 0.000 1.146 189 P CA 2.076 65.202 63.100 0.044 0.000 0.808 189 P CB 0.088 31.794 31.700 0.010 0.000 0.779 190 D N -3.918 116.356 120.400 -0.210 0.000 2.620 190 D HA 0.105 4.748 4.640 0.006 0.000 0.260 190 D C -0.467 175.541 176.300 -0.486 0.000 1.367 190 D CA -0.214 53.350 54.000 -0.726 0.000 0.805 190 D CB -0.402 40.048 40.800 -0.583 0.000 1.096 190 D HN -0.101 nan 8.370 nan 0.000 0.488 191 T N 0.416 114.984 114.554 0.023 0.000 2.993 191 T HA 0.617 4.971 4.350 0.006 0.000 0.312 191 T C -0.971 173.920 174.700 0.318 0.000 1.115 191 T CA -0.805 61.344 62.100 0.081 0.000 1.027 191 T CB 1.458 70.320 68.868 -0.009 0.000 1.116 191 T HN 0.181 nan 8.240 nan 0.000 0.464 192 F N 0.155 120.199 119.950 0.157 0.000 2.662 192 F HA 0.913 5.443 4.527 0.006 0.000 0.312 192 F C -2.007 173.819 175.800 0.044 0.000 1.113 192 F CA -1.823 56.300 58.000 0.205 0.000 0.951 192 F CB 0.968 40.090 39.000 0.204 0.000 1.344 192 F HN 0.399 nan 8.300 nan 0.000 0.462 193 F N 1.696 121.840 119.950 0.324 0.000 2.507 193 F HA 0.810 5.341 4.527 0.006 0.000 0.327 193 F C -0.031 176.050 175.800 0.468 0.000 1.068 193 F CA -0.820 57.331 58.000 0.251 0.000 0.965 193 F CB 2.271 41.378 39.000 0.179 0.000 1.192 193 F HN 0.388 nan 8.300 nan 0.000 0.476 194 M N 1.408 121.342 119.600 0.556 0.000 2.691 194 M HA 0.362 4.845 4.480 0.006 0.000 0.293 194 M C -1.217 175.480 176.300 0.660 0.000 1.259 194 M CA -0.832 54.815 55.300 0.579 0.000 0.827 194 M CB 2.763 35.616 32.600 0.421 0.000 1.753 194 M HN 0.571 nan 8.290 nan 0.000 0.465 195 H N 0.346 119.786 119.070 0.617 0.000 2.459 195 H HA 0.494 5.054 4.556 0.006 0.000 0.332 195 H C -1.686 173.931 175.328 0.481 0.000 1.094 195 H CA -0.687 55.693 56.048 0.555 0.000 1.224 195 H CB 1.218 31.325 29.762 0.576 0.000 1.449 195 H HN 0.763 nan 8.280 nan 0.000 0.484 196 C N 5.109 124.450 119.300 0.068 0.000 2.365 196 C HA 0.230 4.693 4.460 0.006 0.000 0.349 196 C C 2.089 176.983 174.990 -0.160 0.000 1.191 196 C CA -0.754 58.302 59.018 0.064 0.000 2.114 196 C CB 1.159 29.022 27.740 0.205 0.000 2.367 196 C HN 0.984 nan 8.230 nan 0.000 0.530 197 R N 1.465 121.991 120.500 0.042 0.000 2.117 197 R HA -0.185 4.158 4.340 0.006 0.000 0.243 197 R C 1.418 177.684 176.300 -0.057 0.000 1.143 197 R CA 2.524 58.628 56.100 0.007 0.000 0.968 197 R CB -0.299 30.071 30.300 0.117 0.000 0.863 197 R HN 0.943 nan 8.270 nan 0.000 0.444 198 D N -1.568 118.803 120.400 -0.048 0.000 2.378 198 D HA 0.006 4.649 4.640 0.006 0.000 0.227 198 D C 1.118 177.305 176.300 -0.189 0.000 1.012 198 D CA 1.024 54.967 54.000 -0.095 0.000 0.905 198 D CB 0.063 40.817 40.800 -0.077 0.000 0.895 198 D HN 0.464 nan 8.370 nan 0.000 0.532 199 G N -0.308 108.363 108.800 -0.214 0.000 2.194 199 G HA2 -0.264 3.699 3.960 0.006 0.000 0.236 199 G HA3 -0.264 3.699 3.960 0.006 0.000 0.236 199 G C 0.429 175.208 174.900 -0.202 0.000 0.987 199 G CA 0.383 45.188 45.100 -0.493 0.000 0.635 199 G HN 0.797 nan 8.290 nan 0.000 0.520 200 S N -0.144 115.623 115.700 0.111 0.000 2.707 200 S HA 0.830 5.303 4.470 0.006 0.000 0.276 200 S C 0.293 175.274 174.600 0.636 0.000 1.179 200 S CA -0.874 57.564 58.200 0.397 0.000 0.992 200 S CB 1.797 65.192 63.200 0.326 0.000 1.030 200 S HN 0.589 nan 8.310 nan 0.000 0.554 201 L N 0.730 122.334 121.223 0.635 0.000 2.334 201 L HA 0.705 5.048 4.340 0.006 0.000 0.275 201 L C 0.212 177.300 176.870 0.363 0.000 1.036 201 L CA -0.956 54.213 54.840 0.549 0.000 0.807 201 L CB 1.456 43.811 42.059 0.493 0.000 1.231 201 L HN 0.897 nan 8.230 nan 0.000 0.438 202 A N 2.555 125.505 122.820 0.216 0.000 2.317 202 A HA 0.485 4.809 4.320 0.006 0.000 0.327 202 A C -0.643 176.777 177.584 -0.274 0.000 1.178 202 A CA -0.625 51.318 52.037 -0.156 0.000 0.817 202 A CB 1.138 19.937 19.000 -0.334 0.000 1.189 202 A HN 0.697 nan 8.150 nan 0.000 0.489 203 K N 2.269 122.358 120.400 -0.518 0.000 2.211 203 K HA 0.543 4.866 4.320 0.006 0.000 0.275 203 K C -1.429 174.754 176.600 -0.694 0.000 1.024 203 K CA -0.302 55.399 56.287 -0.977 0.000 0.887 203 K CB 0.957 32.916 32.500 -0.902 0.000 1.084 203 K HN 0.414 nan 8.250 nan 0.000 0.463 204 V N 3.725 123.127 119.914 -0.853 0.000 2.334 204 V HA 0.427 4.550 4.120 0.006 0.000 0.281 204 V C -0.312 175.448 176.094 -0.556 0.000 1.016 204 V CA -0.929 60.915 62.300 -0.760 0.000 0.832 204 V CB 1.046 32.144 31.823 -1.208 0.000 0.999 204 V HN 0.882 nan 8.190 nan 0.000 0.439 205 A N 6.307 128.958 122.820 -0.281 0.000 2.260 205 A HA 0.895 5.218 4.320 0.006 0.000 0.314 205 A C -0.692 176.887 177.584 -0.010 0.000 1.257 205 A CA -0.372 51.572 52.037 -0.156 0.000 0.871 205 A CB 0.341 19.245 19.000 -0.159 0.000 1.166 205 A HN 0.916 nan 8.150 nan 0.000 0.522 206 F N 1.274 121.172 119.950 -0.087 0.000 2.532 206 F HA 0.833 5.363 4.527 0.005 0.000 0.321 206 F C 0.326 176.117 175.800 -0.016 0.000 1.089 206 F CA -1.013 56.967 58.000 -0.035 0.000 0.926 206 F CB 1.153 40.168 39.000 0.025 0.000 1.168 206 F HN 0.627 nan 8.300 nan 0.000 0.459 207 G N 0.501 109.332 108.800 0.051 0.000 2.521 207 G HA2 0.410 4.373 3.960 0.006 0.000 0.323 207 G HA3 0.410 4.373 3.960 0.006 0.000 0.323 207 G C 0.571 175.516 174.900 0.075 0.000 1.211 207 G CA -0.312 44.780 45.100 -0.013 0.000 0.979 207 G HN 0.997 nan 8.290 nan 0.000 0.490 208 T N -2.378 112.196 114.554 0.033 0.000 2.822 208 T HA -0.057 4.296 4.350 0.006 0.000 0.270 208 T C 0.686 175.412 174.700 0.043 0.000 1.064 208 T CA 1.667 63.796 62.100 0.048 0.000 1.131 208 T CB 0.028 68.906 68.868 0.017 0.000 0.858 208 T HN 0.471 nan 8.240 nan 0.000 0.483 209 E N 0.006 120.227 120.200 0.035 0.000 2.412 209 E HA 0.517 4.871 4.350 0.006 0.000 0.279 209 E C -0.462 176.153 176.600 0.026 0.000 0.984 209 E CA 0.104 56.519 56.400 0.025 0.000 0.788 209 E CB 1.910 31.617 29.700 0.011 0.000 1.277 209 E HN 0.580 nan 8.360 nan 0.000 0.455 210 G N 0.988 109.800 108.800 0.020 0.000 2.459 210 G HA2 -0.087 3.876 3.960 0.006 0.000 0.685 210 G HA3 -0.087 3.876 3.960 0.006 0.000 0.685 210 G C -0.629 174.283 174.900 0.019 0.000 1.303 210 G CA -0.410 44.699 45.100 0.016 0.000 0.907 210 G HN 0.493 nan 8.290 nan 0.000 0.632 211 T N 2.382 116.942 114.554 0.009 0.000 2.940 211 T HA 0.494 4.848 4.350 0.006 0.000 0.309 211 T C -1.500 173.208 174.700 0.013 0.000 1.056 211 T CA -0.068 62.036 62.100 0.006 0.000 1.137 211 T CB 0.920 69.786 68.868 -0.003 0.000 0.976 211 T HN 0.660 nan 8.240 nan 0.000 0.547 212 P HA 0.237 nan 4.420 nan 0.000 0.274 212 P C -0.418 176.865 177.300 -0.027 0.000 1.237 212 P CA -0.505 62.605 63.100 0.017 0.000 0.793 212 P CB 0.708 32.416 31.700 0.013 0.000 0.977 213 E N 1.143 121.313 120.200 -0.048 0.000 2.194 213 E HA 0.330 4.684 4.350 0.006 0.000 0.284 213 E C -0.645 175.876 176.600 -0.132 0.000 1.035 213 E CA -0.404 55.952 56.400 -0.074 0.000 0.836 213 E CB 0.196 29.855 29.700 -0.068 0.000 1.070 213 E HN 0.345 nan 8.360 nan 0.000 0.401 214 I N 3.918 124.414 120.570 -0.123 0.000 2.410 214 I HA 0.222 4.395 4.170 0.006 0.000 0.286 214 I C -0.527 175.494 176.117 -0.160 0.000 1.009 214 I CA -0.397 60.789 61.300 -0.190 0.000 1.111 214 I CB 2.021 39.923 38.000 -0.163 0.000 1.262 214 I HN 0.377 nan 8.210 nan 0.000 0.443 215 T N 3.852 118.276 114.554 -0.216 0.000 2.856 215 T HA 0.493 4.847 4.350 0.006 0.000 0.283 215 T C -0.497 174.100 174.700 -0.171 0.000 1.008 215 T CA -0.720 61.316 62.100 -0.107 0.000 0.997 215 T CB 1.260 70.084 68.868 -0.072 0.000 0.992 215 T HN 0.361 nan 8.240 nan 0.000 0.454 216 H N 1.062 120.154 119.070 0.037 0.000 2.533 216 H HA 0.476 5.036 4.556 0.006 0.000 0.343 216 H C 0.729 176.138 175.328 0.135 0.000 1.160 216 H CA -0.594 55.510 56.048 0.093 0.000 1.218 216 H CB 1.869 31.680 29.762 0.082 0.000 1.566 216 H HN 0.771 nan 8.280 nan 0.000 0.522 217 T N -1.029 113.725 114.554 0.333 0.000 2.793 217 T HA 0.036 4.389 4.350 0.006 0.000 0.299 217 T C 0.551 175.406 174.700 0.257 0.000 1.038 217 T CA -0.992 61.309 62.100 0.336 0.000 0.948 217 T CB 0.979 70.164 68.868 0.528 0.000 1.231 217 T HN 0.667 nan 8.240 nan 0.000 0.538 218 E N 0.427 120.740 120.200 0.189 0.000 2.392 218 E HA 0.141 4.494 4.350 0.006 0.000 0.259 218 E C -0.501 176.120 176.600 0.034 0.000 1.108 218 E CA -0.631 55.808 56.400 0.064 0.000 0.916 218 E CB 0.774 30.474 29.700 -0.001 0.000 0.989 218 E HN 0.459 nan 8.360 nan 0.000 0.432 219 V N 4.155 124.049 119.914 -0.034 0.000 2.617 219 V HA -0.122 4.002 4.120 0.006 0.000 0.304 219 V C 0.705 176.689 176.094 -0.184 0.000 1.040 219 V CA 0.807 63.032 62.300 -0.125 0.000 1.149 219 V CB -0.777 30.927 31.823 -0.200 0.000 0.914 219 V HN 0.697 nan 8.190 nan 0.000 0.487 220 F N 2.821 122.551 119.950 -0.367 0.000 2.746 220 F HA 0.469 4.999 4.527 0.006 0.000 0.320 220 F C 0.342 176.002 175.800 -0.234 0.000 1.097 220 F CA -0.525 57.206 58.000 -0.450 0.000 1.195 220 F CB -0.377 38.133 39.000 -0.818 0.000 1.056 220 F HN 0.652 nan 8.300 nan 0.000 0.562 221 H N -1.495 117.136 119.070 -0.731 0.000 2.996 221 H HA 0.724 5.283 4.556 0.006 0.000 0.368 221 H C -3.363 171.739 175.328 -0.378 0.000 1.185 221 H CA -2.445 53.282 56.048 -0.535 0.000 1.160 221 H CB 1.242 30.542 29.762 -0.769 0.000 1.820 221 H HN -0.187 nan 8.280 nan 0.000 0.547 222 P HA 0.060 nan 4.420 nan 0.000 0.276 222 P C 0.431 177.583 177.300 -0.247 0.000 1.244 222 P CA -0.366 62.582 63.100 -0.253 0.000 0.801 222 P CB 1.419 33.019 31.700 -0.167 0.000 1.006 223 E N 0.842 120.908 120.200 -0.223 0.000 2.219 223 E HA -0.199 4.155 4.350 0.006 0.000 0.198 223 E C 0.808 177.289 176.600 -0.199 0.000 0.998 223 E CA 1.529 57.837 56.400 -0.155 0.000 0.818 223 E CB -0.076 29.567 29.700 -0.094 0.000 0.741 223 E HN 0.582 nan 8.360 nan 0.000 0.477 224 D N -0.280 119.933 120.400 -0.311 0.000 2.363 224 D HA -0.036 4.607 4.640 0.006 0.000 0.214 224 D C 0.258 175.971 176.300 -0.979 0.000 1.093 224 D CA -0.034 53.623 54.000 -0.573 0.000 0.837 224 D CB -0.230 40.410 40.800 -0.267 0.000 0.948 224 D HN 0.037 nan 8.370 nan 0.000 0.507 225 E N 0.339 120.118 120.200 -0.701 0.000 2.109 225 E HA 0.285 4.639 4.350 0.006 0.000 0.278 225 E C -1.198 175.015 176.600 -0.645 0.000 0.954 225 E CA -0.704 55.346 56.400 -0.583 0.000 0.779 225 E CB 0.505 30.072 29.700 -0.222 0.000 1.093 225 E HN -0.147 nan 8.360 nan 0.000 0.401 226 F N 4.659 124.408 119.950 -0.335 0.000 2.385 226 F HA 0.307 4.837 4.527 0.005 0.000 0.360 226 F C -0.342 175.182 175.800 -0.460 0.000 1.122 226 F CA -0.899 56.770 58.000 -0.551 0.000 1.090 226 F CB 0.575 38.892 39.000 -1.138 0.000 1.150 226 F HN 0.367 nan 8.300 nan 0.000 0.472 227 L N 5.016 126.078 121.223 -0.268 0.000 2.290 227 L HA 0.392 4.735 4.340 0.006 0.000 0.284 227 L C 0.469 177.440 176.870 0.168 0.000 1.078 227 L CA -0.460 54.218 54.840 -0.271 0.000 0.815 227 L CB 0.520 41.936 42.059 -1.071 0.000 1.162 227 L HN 0.514 nan 8.230 nan 0.000 0.435 228 I N -0.148 120.687 120.570 0.442 0.000 3.060 228 I HA 0.153 4.327 4.170 0.006 0.000 0.285 228 I C 0.936 177.271 176.117 0.365 0.000 1.190 228 I CA -0.164 61.402 61.300 0.445 0.000 1.363 228 I CB 0.467 38.693 38.000 0.378 0.000 1.396 228 I HN 0.508 nan 8.210 nan 0.000 0.607 229 N N 0.959 119.705 118.700 0.076 0.000 2.494 229 N HA -0.064 4.679 4.740 0.006 0.000 0.182 229 N C -0.249 174.852 175.510 -0.681 0.000 1.076 229 N CA 0.940 53.760 53.050 -0.383 0.000 0.908 229 N CB -0.382 37.492 38.487 -1.022 0.000 0.967 229 N HN 0.659 nan 8.380 nan 0.000 0.449 230 H N -0.249 118.678 119.070 -0.238 0.000 2.355 230 H HA 0.267 4.826 4.556 0.005 0.000 0.232 230 H C -2.201 173.012 175.328 -0.192 0.000 1.422 230 H CA -1.512 54.418 56.048 -0.196 0.000 1.261 230 H CB 0.729 30.364 29.762 -0.212 0.000 1.595 230 H HN 0.133 nan 8.280 nan 0.000 0.529 231 P HA 0.183 nan 4.420 nan 0.000 0.272 231 P C -0.240 176.959 177.300 -0.168 0.000 1.240 231 P CA -0.399 62.344 63.100 -0.594 0.000 0.791 231 P CB 1.279 31.994 31.700 -1.640 0.000 0.978 232 A N 1.838 124.595 122.820 -0.105 0.000 2.290 232 A HA 0.466 4.789 4.320 0.006 0.000 0.310 232 A C -1.243 176.281 177.584 -0.100 0.000 1.202 232 A CA -0.330 51.751 52.037 0.072 0.000 0.837 232 A CB 0.044 19.139 19.000 0.157 0.000 1.139 232 A HN 0.579 nan 8.150 nan 0.000 0.509 233 Y N 2.277 122.429 120.300 -0.247 0.000 2.346 233 Y HA 0.536 5.090 4.550 0.007 0.000 0.332 233 Y C -0.126 175.659 175.900 -0.192 0.000 0.985 233 Y CA -0.903 56.879 58.100 -0.530 0.000 1.112 233 Y CB 1.960 39.716 38.460 -1.173 0.000 1.170 233 Y HN 0.557 nan 8.280 nan 0.000 0.447 234 S N 5.733 121.106 115.700 -0.546 0.000 2.410 234 S HA 0.168 4.641 4.470 0.006 0.000 0.304 234 S C 0.845 174.955 174.600 -0.817 0.000 1.095 234 S CA -0.405 57.555 58.200 -0.400 0.000 1.089 234 S CB 0.937 64.121 63.200 -0.027 0.000 0.968 234 S HN 1.017 nan 8.310 nan 0.000 0.480 235 Q N 4.179 123.533 119.800 -0.743 0.000 2.119 235 Q HA -0.064 4.279 4.340 0.006 0.000 0.201 235 Q C 1.515 177.380 176.000 -0.225 0.000 0.972 235 Q CA 1.437 56.899 55.803 -0.567 0.000 0.847 235 Q CB 0.022 28.677 28.738 -0.138 0.000 0.903 235 Q HN 0.714 nan 8.270 nan 0.000 0.433 236 K N -0.614 119.705 120.400 -0.136 0.000 2.211 236 K HA -0.050 4.274 4.320 0.006 0.000 0.203 236 K C 1.706 178.274 176.600 -0.053 0.000 1.050 236 K CA 0.940 57.193 56.287 -0.058 0.000 0.945 236 K CB 0.097 32.581 32.500 -0.027 0.000 0.732 236 K HN 0.174 nan 8.250 nan 0.000 0.451 237 A N 0.273 123.048 122.820 -0.075 0.000 2.132 237 A HA 0.184 4.507 4.320 0.006 0.000 0.213 237 A C 1.375 178.905 177.584 -0.091 0.000 1.154 237 A CA 0.703 52.717 52.037 -0.037 0.000 0.753 237 A CB -0.177 18.856 19.000 0.055 0.000 0.826 237 A HN 0.340 nan 8.150 nan 0.000 0.469 238 G N -0.670 108.038 108.800 -0.154 0.000 2.273 238 G HA2 -0.263 3.700 3.960 0.006 0.000 0.280 238 G HA3 -0.263 3.700 3.960 0.006 0.000 0.280 238 G C 0.128 174.947 174.900 -0.134 0.000 1.047 238 G CA 0.662 45.698 45.100 -0.107 0.000 0.869 238 G HN 0.699 nan 8.290 nan 0.000 0.502 239 R N -0.533 119.827 120.500 -0.234 0.000 2.310 239 R HA 0.699 5.042 4.340 0.006 0.000 0.324 239 R C -0.545 175.569 176.300 -0.310 0.000 0.955 239 R CA -1.160 54.745 56.100 -0.325 0.000 0.830 239 R CB 0.797 30.788 30.300 -0.516 0.000 1.154 239 R HN 0.322 nan 8.270 nan 0.000 0.458 240 L N 5.713 126.750 121.223 -0.311 0.000 2.272 240 L HA 0.514 4.858 4.340 0.006 0.000 0.289 240 L C -1.325 175.349 176.870 -0.327 0.000 1.032 240 L CA -0.478 54.123 54.840 -0.398 0.000 0.810 240 L CB 1.719 43.403 42.059 -0.626 0.000 1.205 240 L HN 0.459 nan 8.230 nan 0.000 0.422 241 V N 5.592 125.327 119.914 -0.299 0.000 2.334 241 V HA 0.364 4.488 4.120 0.006 0.000 0.281 241 V C -0.991 175.077 176.094 -0.044 0.000 1.016 241 V CA -0.543 61.670 62.300 -0.146 0.000 0.832 241 V CB 1.374 33.119 31.823 -0.131 0.000 0.999 241 V HN 0.766 nan 8.190 nan 0.000 0.439 242 W N 8.582 129.845 121.300 -0.062 0.000 2.466 242 W HA 0.503 5.167 4.660 0.007 0.000 0.303 242 W C -2.954 173.603 176.519 0.063 0.000 0.999 242 W CA -2.809 54.520 57.345 -0.026 0.000 1.437 242 W CB 2.213 31.625 29.460 -0.080 0.000 1.274 242 W HN 0.402 nan 8.180 nan 0.000 0.417 243 P HA 0.231 nan 4.420 nan 0.000 0.277 243 P C 0.233 177.717 177.300 0.305 0.000 1.240 243 P CA 0.359 63.629 63.100 0.283 0.000 0.798 243 P CB 1.306 33.137 31.700 0.218 0.000 0.979 244 T N -1.575 113.098 114.554 0.199 0.000 2.910 244 T HA 0.262 4.615 4.350 0.006 0.000 0.279 244 T C 0.820 175.691 174.700 0.285 0.000 0.989 244 T CA -0.206 62.000 62.100 0.176 0.000 0.968 244 T CB 0.060 68.963 68.868 0.057 0.000 1.135 244 T HN 0.140 nan 8.240 nan 0.000 0.562 245 Y N 0.993 121.337 120.300 0.073 0.000 2.384 245 Y HA -0.049 4.504 4.550 0.006 0.000 0.289 245 Y C 2.995 178.908 175.900 0.022 0.000 1.152 245 Y CA 1.582 59.710 58.100 0.046 0.000 1.258 245 Y CB -1.318 37.153 38.460 0.019 0.000 0.979 245 Y HN 0.904 nan 8.280 nan 0.000 0.549 246 T N -4.975 109.680 114.554 0.169 0.000 3.081 246 T HA 0.372 4.726 4.350 0.006 0.000 0.250 246 T C 1.783 176.529 174.700 0.077 0.000 1.100 246 T CA 0.588 62.739 62.100 0.086 0.000 1.038 246 T CB -0.033 68.857 68.868 0.036 0.000 0.962 246 T HN 0.387 nan 8.240 nan 0.000 0.516 247 G N 1.602 110.459 108.800 0.095 0.000 2.157 247 G HA2 -0.267 3.697 3.960 0.006 0.000 0.239 247 G HA3 -0.267 3.697 3.960 0.006 0.000 0.239 247 G C -0.032 174.888 174.900 0.034 0.000 0.982 247 G CA 0.124 45.270 45.100 0.078 0.000 0.650 247 G HN 0.859 nan 8.290 nan 0.000 0.527 248 K N 0.496 120.900 120.400 0.006 0.000 2.448 248 K HA 0.482 4.805 4.320 0.006 0.000 0.278 248 K C 0.056 176.619 176.600 -0.061 0.000 1.009 248 K CA -0.149 56.100 56.287 -0.064 0.000 0.995 248 K CB 0.101 32.532 32.500 -0.115 0.000 0.917 248 K HN 0.250 nan 8.250 nan 0.000 0.481 249 I N 5.212 125.728 120.570 -0.090 0.000 2.382 249 I HA 0.158 4.331 4.170 0.006 0.000 0.286 249 I C -0.156 175.925 176.117 -0.060 0.000 1.002 249 I CA -0.818 60.473 61.300 -0.015 0.000 1.135 249 I CB 1.177 39.192 38.000 0.025 0.000 1.288 249 I HN 0.595 nan 8.210 nan 0.000 0.448 250 H N 6.373 125.506 119.070 0.106 0.000 2.580 250 H HA 0.375 4.935 4.556 0.005 0.000 0.322 250 H C -0.636 174.731 175.328 0.065 0.000 1.082 250 H CA -0.116 56.007 56.048 0.124 0.000 1.383 250 H CB 1.446 31.342 29.762 0.223 0.000 1.450 250 H HN 0.503 nan 8.280 nan 0.000 0.505 251 Q N 2.896 122.773 119.800 0.128 0.000 2.330 251 Q HA 0.395 4.738 4.340 0.006 0.000 0.269 251 Q C -0.837 175.111 176.000 -0.086 0.000 1.022 251 Q CA -0.882 54.912 55.803 -0.015 0.000 0.796 251 Q CB 2.223 30.932 28.738 -0.049 0.000 1.271 251 Q HN 0.451 nan 8.270 nan 0.000 0.450 252 I N 1.549 121.976 120.570 -0.238 0.000 2.406 252 I HA 0.178 4.351 4.170 0.006 0.000 0.290 252 I C -0.552 175.316 176.117 -0.415 0.000 0.999 252 I CA -0.591 60.443 61.300 -0.444 0.000 1.124 252 I CB 1.677 39.280 38.000 -0.662 0.000 1.289 252 I HN 0.418 nan 8.210 nan 0.000 0.441 253 D N 6.176 126.342 120.400 -0.390 0.000 2.313 253 D HA 0.347 4.990 4.640 0.006 0.000 0.239 253 D C 0.218 176.298 176.300 -0.366 0.000 1.142 253 D CA -0.020 53.797 54.000 -0.306 0.000 0.847 253 D CB 1.011 41.685 40.800 -0.210 0.000 1.082 253 D HN 0.487 nan 8.370 nan 0.000 0.480 254 L N 2.827 123.852 121.223 -0.331 0.000 2.728 254 L HA 0.080 4.424 4.340 0.006 0.000 0.238 254 L C 2.082 178.853 176.870 -0.165 0.000 1.143 254 L CA -0.057 54.569 54.840 -0.357 0.000 0.937 254 L CB -0.035 41.747 42.059 -0.462 0.000 1.225 254 L HN 0.379 nan 8.230 nan 0.000 0.507 255 S N -0.411 115.216 115.700 -0.122 0.000 2.399 255 S HA -0.188 4.285 4.470 0.006 0.000 0.231 255 S C 2.046 176.626 174.600 -0.034 0.000 1.022 255 S CA 1.272 59.437 58.200 -0.059 0.000 0.983 255 S CB -0.494 62.673 63.200 -0.053 0.000 0.803 255 S HN 0.520 nan 8.310 nan 0.000 0.480 256 S N 0.535 116.206 115.700 -0.047 0.000 2.603 256 S HA 0.381 4.854 4.470 0.006 0.000 0.229 256 S C 1.697 176.301 174.600 0.006 0.000 0.972 256 S CA 0.647 58.835 58.200 -0.021 0.000 0.935 256 S CB -0.843 62.339 63.200 -0.029 0.000 0.769 256 S HN 1.464 nan 8.310 nan 0.000 0.536 257 G N 0.438 109.251 108.800 0.021 0.000 2.253 257 G HA2 -0.212 3.751 3.960 0.006 0.000 0.251 257 G HA3 -0.212 3.751 3.960 0.006 0.000 0.251 257 G C -0.256 174.742 174.900 0.165 0.000 0.998 257 G CA 0.347 45.503 45.100 0.094 0.000 0.621 257 G HN 0.583 nan 8.290 nan 0.000 0.524 258 D N 0.604 121.048 120.400 0.074 0.000 2.269 258 D HA 0.623 5.266 4.640 0.006 0.000 0.244 258 D C 0.469 176.689 176.300 -0.133 0.000 0.992 258 D CA 0.381 54.437 54.000 0.093 0.000 0.894 258 D CB 1.607 42.447 40.800 0.067 0.000 1.248 258 D HN 0.568 nan 8.370 nan 0.000 0.468 259 A N 2.152 124.847 122.820 -0.208 0.000 2.444 259 A HA 0.194 4.518 4.320 0.006 0.000 0.273 259 A C 0.062 177.348 177.584 -0.497 0.000 1.136 259 A CA 0.102 51.811 52.037 -0.547 0.000 0.799 259 A CB 0.055 18.677 19.000 -0.629 0.000 1.081 259 A HN 0.297 nan 8.150 nan 0.000 0.509 260 K N 2.905 122.993 120.400 -0.521 0.000 2.358 260 K HA 0.410 4.733 4.320 0.006 0.000 0.260 260 K C -1.573 174.756 176.600 -0.452 0.000 0.956 260 K CA -0.209 55.871 56.287 -0.344 0.000 0.834 260 K CB 1.631 34.028 32.500 -0.171 0.000 1.102 260 K HN 0.554 nan 8.250 nan 0.000 0.431 261 F N 3.077 122.968 119.950 -0.098 0.000 2.421 261 F HA 0.157 4.688 4.527 0.006 0.000 0.358 261 F C 0.506 176.276 175.800 -0.050 0.000 1.115 261 F CA -0.884 57.059 58.000 -0.096 0.000 1.160 261 F CB 0.321 39.283 39.000 -0.064 0.000 1.123 261 F HN 0.158 nan 8.300 nan 0.000 0.508 262 L N 4.989 126.256 121.223 0.072 0.000 2.466 262 L HA 0.373 4.716 4.340 0.006 0.000 0.257 262 L C -1.850 175.064 176.870 0.073 0.000 1.189 262 L CA -2.695 52.170 54.840 0.041 0.000 0.813 262 L CB -0.557 41.496 42.059 -0.011 0.000 1.118 262 L HN 0.361 nan 8.230 nan 0.000 0.471 263 P HA 0.124 nan 4.420 nan 0.000 0.264 263 P C -0.839 176.470 177.300 0.015 0.000 1.193 263 P CA -0.190 62.927 63.100 0.028 0.000 0.763 263 P CB 0.325 32.030 31.700 0.009 0.000 0.810 264 A N 3.355 126.176 122.820 0.001 0.000 2.498 264 A HA 0.310 4.634 4.320 0.006 0.000 0.239 264 A C 0.051 177.594 177.584 -0.069 0.000 1.068 264 A CA -0.046 51.950 52.037 -0.068 0.000 0.766 264 A CB 0.157 19.059 19.000 -0.163 0.000 1.003 264 A HN 0.457 nan 8.150 nan 0.000 0.497 265 V N 2.206 122.074 119.914 -0.076 0.000 2.815 265 V HA 0.478 4.601 4.120 0.006 0.000 0.314 265 V C -0.690 175.363 176.094 -0.068 0.000 1.064 265 V CA -0.716 61.549 62.300 -0.059 0.000 0.952 265 V CB 1.922 33.722 31.823 -0.038 0.000 1.020 265 V HN 0.950 nan 8.190 nan 0.000 0.439 266 E N 3.732 123.897 120.200 -0.059 0.000 2.134 266 E HA 0.458 4.811 4.350 0.006 0.000 0.278 266 E C 0.501 177.071 176.600 -0.050 0.000 0.959 266 E CA 0.020 56.388 56.400 -0.054 0.000 0.783 266 E CB 1.927 31.595 29.700 -0.053 0.000 1.095 266 E HN 0.777 nan 8.360 nan 0.000 0.399 267 A N 4.190 126.988 122.820 -0.036 0.000 2.016 267 A HA 0.083 4.406 4.320 0.006 0.000 0.217 267 A C 0.822 178.368 177.584 -0.065 0.000 1.162 267 A CA 0.709 52.722 52.037 -0.040 0.000 0.662 267 A CB 0.196 19.195 19.000 -0.002 0.000 0.812 267 A HN 0.500 nan 8.150 nan 0.000 0.450 268 L N -0.011 121.180 121.223 -0.054 0.000 2.341 268 L HA 0.400 4.744 4.340 0.006 0.000 0.267 268 L C 0.458 177.279 176.870 -0.081 0.000 1.009 268 L CA -0.856 53.934 54.840 -0.082 0.000 0.819 268 L CB 2.182 44.229 42.059 -0.020 0.000 1.323 268 L HN 0.244 nan 8.230 nan 0.000 0.425 269 T N -3.310 111.176 114.554 -0.113 0.000 2.849 269 T HA 0.106 4.460 4.350 0.006 0.000 0.284 269 T C 0.861 175.529 174.700 -0.055 0.000 1.004 269 T CA -0.517 61.530 62.100 -0.087 0.000 1.021 269 T CB 1.414 70.218 68.868 -0.107 0.000 1.013 269 T HN 0.765 nan 8.240 nan 0.000 0.527 270 E N 0.516 120.691 120.200 -0.042 0.000 2.130 270 E HA -0.201 4.153 4.350 0.006 0.000 0.196 270 E C 2.223 178.815 176.600 -0.014 0.000 0.998 270 E CA 1.252 57.638 56.400 -0.024 0.000 0.806 270 E CB -0.493 29.193 29.700 -0.024 0.000 0.738 270 E HN 0.797 nan 8.360 nan 0.000 0.459 271 A N 1.084 123.888 122.820 -0.027 0.000 1.855 271 A HA -0.223 4.100 4.320 0.006 0.000 0.215 271 A C 1.921 179.511 177.584 0.010 0.000 1.191 271 A CA 1.683 53.711 52.037 -0.015 0.000 0.613 271 A CB -0.558 18.421 19.000 -0.035 0.000 0.829 271 A HN 0.297 nan 8.150 nan 0.000 0.442 272 E N -0.415 119.767 120.200 -0.030 0.000 2.085 272 E HA -0.217 4.137 4.350 0.006 0.000 0.194 272 E C 2.314 179.030 176.600 0.194 0.000 0.994 272 E CA 1.278 57.693 56.400 0.025 0.000 0.801 272 E CB -0.212 29.317 29.700 -0.285 0.000 0.743 272 E HN 0.497 nan 8.360 nan 0.000 0.453 273 R N 0.365 120.923 120.500 0.096 0.000 2.094 273 R HA -0.160 4.183 4.340 0.006 0.000 0.239 273 R C 2.395 178.741 176.300 0.078 0.000 1.137 273 R CA 1.383 57.539 56.100 0.092 0.000 0.943 273 R CB -0.414 29.910 30.300 0.041 0.000 0.850 273 R HN 0.148 nan 8.270 nan 0.000 0.433 274 A N 0.695 123.549 122.820 0.056 0.000 2.070 274 A HA -0.152 4.171 4.320 0.006 0.000 0.220 274 A C 1.519 179.137 177.584 0.057 0.000 1.159 274 A CA 1.305 53.368 52.037 0.042 0.000 0.656 274 A CB -0.188 18.828 19.000 0.027 0.000 0.800 274 A HN 0.213 nan 8.150 nan 0.000 0.453 275 D N -0.993 119.469 120.400 0.104 0.000 2.336 275 D HA 0.187 4.830 4.640 0.006 0.000 0.229 275 D C 1.226 177.560 176.300 0.056 0.000 1.061 275 D CA 0.980 55.051 54.000 0.118 0.000 0.875 275 D CB -0.032 40.900 40.800 0.220 0.000 0.904 275 D HN 0.564 nan 8.370 nan 0.000 0.525 276 G N 0.895 109.723 108.800 0.048 0.000 2.136 276 G HA2 -0.262 3.701 3.960 0.006 0.000 0.242 276 G HA3 -0.262 3.701 3.960 0.006 0.000 0.242 276 G C -0.200 174.639 174.900 -0.102 0.000 0.989 276 G CA -0.296 44.779 45.100 -0.042 0.000 0.682 276 G HN 0.202 nan 8.290 nan 0.000 0.522 277 W N 0.619 121.893 121.300 -0.043 0.000 2.304 277 W HA 0.721 5.384 4.660 0.005 0.000 0.313 277 W C 1.078 177.581 176.519 -0.027 0.000 1.323 277 W CA -0.153 57.164 57.345 -0.047 0.000 1.223 277 W CB 0.556 29.972 29.460 -0.073 0.000 1.237 277 W HN 0.149 nan 8.180 nan 0.000 0.535 278 R N 3.926 124.536 120.500 0.184 0.000 2.668 278 R HA 0.330 4.673 4.340 0.006 0.000 0.272 278 R C -2.543 173.843 176.300 0.143 0.000 1.019 278 R CA -2.049 54.125 56.100 0.124 0.000 0.894 278 R CB 2.256 32.581 30.300 0.041 0.000 1.228 278 R HN 0.107 nan 8.270 nan 0.000 0.460 279 P HA 0.171 nan 4.420 nan 0.000 0.269 279 P C -0.522 176.843 177.300 0.110 0.000 1.215 279 P CA -0.010 63.175 63.100 0.141 0.000 0.780 279 P CB 0.971 32.755 31.700 0.141 0.000 0.898 280 G N -0.994 107.879 108.800 0.122 0.000 2.667 280 G HA2 0.610 4.574 3.960 0.006 0.000 0.294 280 G HA3 0.610 4.574 3.960 0.006 0.000 0.294 280 G C -0.725 174.250 174.900 0.124 0.000 1.467 280 G CA 0.007 45.169 45.100 0.105 0.000 0.852 280 G HN 0.815 nan 8.290 nan 0.000 0.521 281 G N -0.468 108.412 108.800 0.134 0.000 2.236 281 G HA2 0.086 4.049 3.960 0.006 0.000 0.231 281 G HA3 0.086 4.049 3.960 0.006 0.000 0.231 281 G C 0.240 175.285 174.900 0.242 0.000 1.334 281 G CA 0.387 45.591 45.100 0.174 0.000 1.137 281 G HN 1.098 nan 8.290 nan 0.000 0.482 282 W N 0.247 121.516 121.300 -0.053 0.000 4.006 282 W HA 0.327 4.990 4.660 0.005 0.000 0.212 282 W C 0.560 176.836 176.519 -0.404 0.000 2.028 282 W CA 0.553 57.762 57.345 -0.226 0.000 2.379 282 W CB 0.139 29.485 29.460 -0.190 0.000 1.552 282 W HN 0.478 nan 8.180 nan 0.000 0.548 283 Q N 2.517 122.241 119.800 -0.128 0.000 2.641 283 Q HA -0.006 4.337 4.340 0.006 0.000 0.225 283 Q C 0.826 176.876 176.000 0.083 0.000 1.309 283 Q CA 0.231 56.005 55.803 -0.048 0.000 0.935 283 Q CB 0.757 29.557 28.738 0.104 0.000 1.557 283 Q HN 0.370 nan 8.270 nan 0.000 0.563 284 Q N 0.181 120.032 119.800 0.085 0.000 2.378 284 Q HA 0.036 4.380 4.340 0.006 0.000 0.205 284 Q C 0.270 176.367 176.000 0.160 0.000 0.954 284 Q CA 0.441 56.324 55.803 0.134 0.000 0.901 284 Q CB 0.767 29.588 28.738 0.138 0.000 0.981 284 Q HN 0.312 nan 8.270 nan 0.000 0.483 285 V N -0.238 119.775 119.914 0.165 0.000 2.735 285 V HA 0.791 4.914 4.120 0.006 0.000 0.310 285 V C -1.646 174.582 176.094 0.223 0.000 1.061 285 V CA -0.672 61.743 62.300 0.191 0.000 0.913 285 V CB 1.772 33.691 31.823 0.161 0.000 1.005 285 V HN 0.076 nan 8.190 nan 0.000 0.428 286 A N 5.170 128.163 122.820 0.287 0.000 2.423 286 A HA 0.888 5.212 4.320 0.006 0.000 0.304 286 A C -1.977 175.884 177.584 0.462 0.000 1.104 286 A CA -0.583 51.646 52.037 0.320 0.000 0.757 286 A CB 1.785 20.917 19.000 0.221 0.000 1.313 286 A HN 1.281 nan 8.150 nan 0.000 0.423 287 Y N 1.377 121.833 120.300 0.259 0.000 2.406 287 Y HA 0.482 5.035 4.550 0.007 0.000 0.340 287 Y C -0.732 175.320 175.900 0.253 0.000 0.975 287 Y CA -0.588 57.662 58.100 0.250 0.000 1.056 287 Y CB 1.443 39.974 38.460 0.118 0.000 1.210 287 Y HN 0.803 nan 8.280 nan 0.000 0.448 288 H N 7.184 126.033 119.070 -0.368 0.000 2.541 288 H HA 0.327 4.885 4.556 0.004 0.000 0.316 288 H C 0.698 175.618 175.328 -0.680 0.000 1.043 288 H CA -0.076 55.788 56.048 -0.306 0.000 1.232 288 H CB 1.261 31.029 29.762 0.011 0.000 1.406 288 H HN 1.017 nan 8.280 nan 0.000 0.469 289 R N 3.373 123.506 120.500 -0.612 0.000 2.070 289 R HA -0.108 4.235 4.340 0.006 0.000 0.233 289 R C 1.831 178.058 176.300 -0.122 0.000 1.137 289 R CA 1.560 57.479 56.100 -0.301 0.000 0.945 289 R CB -0.125 30.111 30.300 -0.108 0.000 0.845 289 R HN 0.655 nan 8.270 nan 0.000 0.430 290 A N 0.781 123.552 122.820 -0.081 0.000 1.933 290 A HA -0.099 4.224 4.320 0.006 0.000 0.218 290 A C 2.109 179.790 177.584 0.162 0.000 1.175 290 A CA 1.144 53.241 52.037 0.100 0.000 0.628 290 A CB -0.353 18.751 19.000 0.173 0.000 0.814 290 A HN 0.353 nan 8.150 nan 0.000 0.444 291 L N -1.387 120.037 121.223 0.335 0.000 2.509 291 L HA 0.035 4.378 4.340 0.006 0.000 0.222 291 L C 0.338 177.215 176.870 0.011 0.000 1.123 291 L CA 0.379 55.266 54.840 0.079 0.000 0.856 291 L CB -0.188 41.802 42.059 -0.114 0.000 0.985 291 L HN 0.356 nan 8.230 nan 0.000 0.456 292 D N 1.359 121.736 120.400 -0.037 0.000 2.746 292 D HA -0.228 4.415 4.640 0.006 0.000 0.241 292 D C 0.190 176.472 176.300 -0.031 0.000 1.140 292 D CA 0.685 54.666 54.000 -0.031 0.000 0.707 292 D CB -0.325 40.517 40.800 0.069 0.000 1.034 292 D HN 0.299 nan 8.370 nan 0.000 0.423 293 R N 0.515 120.921 120.500 -0.157 0.000 2.686 293 R HA 0.732 5.075 4.340 0.006 0.000 0.283 293 R C -0.698 175.533 176.300 -0.114 0.000 0.978 293 R CA -0.832 55.177 56.100 -0.151 0.000 0.897 293 R CB 1.112 31.296 30.300 -0.193 0.000 1.192 293 R HN 0.143 nan 8.270 nan 0.000 0.457 294 I N 3.918 124.381 120.570 -0.179 0.000 2.433 294 I HA 0.354 4.527 4.170 0.006 0.000 0.292 294 I C -1.235 174.723 176.117 -0.265 0.000 1.001 294 I CA -0.836 60.462 61.300 -0.004 0.000 1.119 294 I CB 1.611 39.659 38.000 0.079 0.000 1.289 294 I HN 0.569 nan 8.210 nan 0.000 0.438 295 Y N 6.412 126.771 120.300 0.099 0.000 2.364 295 Y HA 0.653 5.206 4.550 0.006 0.000 0.340 295 Y C -0.597 175.358 175.900 0.092 0.000 0.975 295 Y CA -0.903 57.242 58.100 0.076 0.000 1.089 295 Y CB 1.827 40.347 38.460 0.101 0.000 1.192 295 Y HN 0.339 nan 8.280 nan 0.000 0.454 296 L N 4.050 125.384 121.223 0.186 0.000 2.438 296 L HA 0.547 4.891 4.340 0.006 0.000 0.270 296 L C -1.526 175.448 176.870 0.174 0.000 0.972 296 L CA -0.538 54.401 54.840 0.164 0.000 0.831 296 L CB 1.490 43.618 42.059 0.115 0.000 1.273 296 L HN 0.665 nan 8.230 nan 0.000 0.405 297 L N 5.998 127.332 121.223 0.185 0.000 2.418 297 L HA 0.533 4.877 4.340 0.006 0.000 0.274 297 L C -0.407 176.590 176.870 0.212 0.000 1.135 297 L CA -0.214 54.745 54.840 0.197 0.000 0.870 297 L CB 0.869 43.033 42.059 0.175 0.000 1.154 297 L HN 0.629 nan 8.230 nan 0.000 0.462 298 V N 0.372 120.453 119.914 0.279 0.000 3.159 298 V HA 0.774 4.897 4.120 0.006 0.000 0.308 298 V C -1.085 175.261 176.094 0.420 0.000 1.190 298 V CA -0.754 61.739 62.300 0.323 0.000 1.037 298 V CB 2.434 34.464 31.823 0.344 0.000 1.060 298 V HN 0.686 nan 8.190 nan 0.000 0.437 299 D N -0.192 120.376 120.400 0.280 0.000 2.725 299 D HA 0.267 4.910 4.640 0.006 0.000 0.292 299 D C -1.450 174.573 176.300 -0.461 0.000 1.288 299 D CA -0.470 53.497 54.000 -0.055 0.000 0.784 299 D CB 2.316 43.147 40.800 0.051 0.000 1.308 299 D HN 0.801 nan 8.370 nan 0.000 0.429 300 Q N 0.988 120.261 119.800 -0.879 0.000 2.288 300 Q HA 0.528 4.871 4.340 0.006 0.000 0.258 300 Q C -0.273 175.533 176.000 -0.323 0.000 0.957 300 Q CA -0.045 55.312 55.803 -0.743 0.000 0.919 300 Q CB 1.379 29.599 28.738 -0.864 0.000 1.185 300 Q HN 0.294 nan 8.270 nan 0.000 0.408 301 R N 0.077 120.455 120.500 -0.205 0.000 2.690 301 R HA 0.332 4.675 4.340 0.006 0.000 0.269 301 R C -1.660 174.601 176.300 -0.066 0.000 1.037 301 R CA -1.040 55.001 56.100 -0.099 0.000 0.877 301 R CB 0.684 30.951 30.300 -0.056 0.000 1.255 301 R HN 0.482 nan 8.270 nan 0.000 0.467 302 D N 0.402 120.787 120.400 -0.026 0.000 2.382 302 D HA -0.039 4.605 4.640 0.006 0.000 0.240 302 D C 0.907 177.190 176.300 -0.029 0.000 1.146 302 D CA -0.073 53.924 54.000 -0.004 0.000 0.897 302 D CB 1.145 41.978 40.800 0.055 0.000 1.197 302 D HN 0.652 nan 8.370 nan 0.000 0.432 303 E N 1.193 121.329 120.200 -0.108 0.000 2.268 303 E HA -0.158 4.195 4.350 0.006 0.000 0.195 303 E C 0.595 176.978 176.600 -0.361 0.000 0.995 303 E CA 0.702 56.924 56.400 -0.297 0.000 0.836 303 E CB -0.213 29.202 29.700 -0.476 0.000 0.763 303 E HN 0.630 nan 8.360 nan 0.000 0.491 304 W N 0.927 122.312 121.300 0.142 0.000 3.194 304 W HA 0.279 4.942 4.660 0.006 0.000 0.408 304 W C 0.472 177.077 176.519 0.143 0.000 1.072 304 W CA -0.966 56.516 57.345 0.228 0.000 1.953 304 W CB 0.771 30.328 29.460 0.162 0.000 1.091 304 W HN -0.177 nan 8.180 nan 0.000 0.699 305 R N 0.923 121.548 120.500 0.209 0.000 2.831 305 R HA 0.073 4.417 4.340 0.006 0.000 0.337 305 R C 1.329 177.639 176.300 0.017 0.000 1.200 305 R CA 0.001 56.143 56.100 0.071 0.000 1.088 305 R CB -1.047 29.284 30.300 0.052 0.000 1.397 305 R HN 0.513 nan 8.270 nan 0.000 0.581 306 H N -0.798 118.254 119.070 -0.029 0.000 2.559 306 H HA 0.126 4.685 4.556 0.006 0.000 0.273 306 H C 0.246 175.569 175.328 -0.010 0.000 1.000 306 H CA 0.421 56.395 56.048 -0.124 0.000 1.195 306 H CB 0.355 29.847 29.762 -0.449 0.000 1.368 306 H HN 0.061 nan 8.280 nan 0.000 0.592 307 K N 1.566 121.860 120.400 -0.176 0.000 2.373 307 K HA 0.086 4.410 4.320 0.006 0.000 0.202 307 K C 0.419 177.059 176.600 0.067 0.000 1.025 307 K CA 0.209 56.508 56.287 0.021 0.000 1.115 307 K CB 0.916 33.449 32.500 0.055 0.000 0.858 307 K HN 0.324 nan 8.250 nan 0.000 0.525 308 T N -1.022 113.552 114.554 0.032 0.000 2.828 308 T HA 0.475 4.828 4.350 0.006 0.000 0.290 308 T C 0.567 175.308 174.700 0.069 0.000 1.019 308 T CA -0.946 61.180 62.100 0.044 0.000 1.031 308 T CB 1.436 70.320 68.868 0.027 0.000 1.001 308 T HN 0.094 nan 8.240 nan 0.000 0.531 309 A N 1.512 124.371 122.820 0.065 0.000 2.425 309 A HA 0.552 4.875 4.320 0.006 0.000 0.242 309 A C 0.533 178.166 177.584 0.081 0.000 1.077 309 A CA -0.547 51.536 52.037 0.078 0.000 0.781 309 A CB -0.158 18.883 19.000 0.068 0.000 1.020 309 A HN 0.838 nan 8.150 nan 0.000 0.494 310 S N -0.582 115.179 115.700 0.102 0.000 2.600 310 S HA 0.563 5.036 4.470 0.006 0.000 0.300 310 S C 0.538 175.201 174.600 0.107 0.000 1.087 310 S CA -0.708 57.571 58.200 0.131 0.000 0.965 310 S CB 1.745 65.050 63.200 0.176 0.000 1.089 310 S HN 0.647 nan 8.310 nan 0.000 0.496 311 R N -0.185 120.388 120.500 0.121 0.000 2.437 311 R HA 0.335 4.678 4.340 0.006 0.000 0.257 311 R C -1.023 175.063 176.300 -0.356 0.000 0.927 311 R CA 0.261 56.272 56.100 -0.148 0.000 1.078 311 R CB 0.337 30.454 30.300 -0.305 0.000 1.161 311 R HN 0.397 nan 8.270 nan 0.000 0.529 312 F N -0.650 119.400 119.950 0.167 0.000 2.588 312 F HA 0.498 5.028 4.527 0.006 0.000 0.314 312 F C -0.195 175.706 175.800 0.170 0.000 1.069 312 F CA -1.342 56.776 58.000 0.197 0.000 0.931 312 F CB 1.701 40.881 39.000 0.299 0.000 1.260 312 F HN -0.431 nan 8.300 nan 0.000 0.465 313 V N 2.752 122.861 119.914 0.326 0.000 2.588 313 V HA 0.616 4.739 4.120 0.006 0.000 0.304 313 V C -0.731 175.408 176.094 0.074 0.000 1.042 313 V CA -0.933 61.502 62.300 0.225 0.000 0.877 313 V CB 1.945 33.932 31.823 0.273 0.000 0.996 313 V HN 0.650 nan 8.190 nan 0.000 0.425 314 V N 3.513 123.439 119.914 0.021 0.000 2.612 314 V HA 0.866 4.989 4.120 0.006 0.000 0.301 314 V C -0.455 175.532 176.094 -0.178 0.000 1.046 314 V CA -0.590 61.634 62.300 -0.126 0.000 0.946 314 V CB 1.733 33.484 31.823 -0.120 0.000 1.003 314 V HN 0.500 nan 8.190 nan 0.000 0.459 315 V N 5.454 125.179 119.914 -0.314 0.000 2.588 315 V HA 0.716 4.839 4.120 0.006 0.000 0.304 315 V C -0.274 175.625 176.094 -0.325 0.000 1.042 315 V CA -0.402 61.649 62.300 -0.416 0.000 0.877 315 V CB 1.313 32.831 31.823 -0.509 0.000 0.996 315 V HN 1.079 nan 8.190 nan 0.000 0.425 316 L N 0.303 121.343 121.223 -0.306 0.000 2.424 316 L HA 0.775 5.118 4.340 0.006 0.000 0.258 316 L C -0.711 176.061 176.870 -0.164 0.000 0.995 316 L CA -0.769 53.953 54.840 -0.197 0.000 0.821 316 L CB 2.079 44.057 42.059 -0.135 0.000 1.383 316 L HN 0.385 nan 8.230 nan 0.000 0.410 317 D N 1.372 121.704 120.400 -0.113 0.000 2.358 317 D HA 0.266 4.909 4.640 0.006 0.000 0.258 317 D C 1.018 177.299 176.300 -0.030 0.000 1.223 317 D CA 0.678 54.635 54.000 -0.071 0.000 0.886 317 D CB 2.141 42.907 40.800 -0.057 0.000 1.120 317 D HN 0.791 nan 8.370 nan 0.000 0.482 318 A N 4.631 127.461 122.820 0.016 0.000 2.070 318 A HA -0.175 4.148 4.320 0.006 0.000 0.220 318 A C 1.998 179.602 177.584 0.032 0.000 1.159 318 A CA 1.324 53.398 52.037 0.062 0.000 0.656 318 A CB -0.057 19.058 19.000 0.191 0.000 0.800 318 A HN 0.558 nan 8.150 nan 0.000 0.453 319 K N -1.083 119.328 120.400 0.019 0.000 2.186 319 K HA -0.036 4.287 4.320 0.006 0.000 0.202 319 K C 1.799 178.396 176.600 -0.005 0.000 1.052 319 K CA 1.579 57.872 56.287 0.010 0.000 0.965 319 K CB 0.135 32.641 32.500 0.009 0.000 0.746 319 K HN 0.623 nan 8.250 nan 0.000 0.457 320 T N -5.355 109.190 114.554 -0.014 0.000 2.955 320 T HA 0.232 4.586 4.350 0.006 0.000 0.251 320 T C 1.312 175.994 174.700 -0.030 0.000 1.002 320 T CA 0.295 62.382 62.100 -0.022 0.000 0.970 320 T CB 0.807 69.659 68.868 -0.027 0.000 1.091 320 T HN 0.185 nan 8.240 nan 0.000 0.495 321 G N 2.055 110.835 108.800 -0.034 0.000 2.148 321 G HA2 -0.298 3.666 3.960 0.006 0.000 0.254 321 G HA3 -0.298 3.666 3.960 0.006 0.000 0.254 321 G C -0.137 174.727 174.900 -0.060 0.000 0.981 321 G CA 0.418 45.491 45.100 -0.045 0.000 0.670 321 G HN 1.006 nan 8.290 nan 0.000 0.528 322 E N 0.302 120.465 120.200 -0.061 0.000 2.338 322 E HA 0.404 4.758 4.350 0.006 0.000 0.272 322 E C 0.776 177.319 176.600 -0.095 0.000 1.029 322 E CA -0.829 55.528 56.400 -0.072 0.000 0.872 322 E CB 0.398 30.061 29.700 -0.063 0.000 1.015 322 E HN 0.392 nan 8.360 nan 0.000 0.417 323 R N 4.324 124.760 120.500 -0.107 0.000 2.449 323 R HA 0.044 4.387 4.340 0.006 0.000 0.296 323 R C 0.521 176.737 176.300 -0.140 0.000 1.047 323 R CA 0.061 56.079 56.100 -0.137 0.000 1.018 323 R CB 0.383 30.594 30.300 -0.148 0.000 0.962 323 R HN 0.745 nan 8.270 nan 0.000 0.428 324 L N 3.257 124.376 121.223 -0.174 0.000 2.408 324 L HA 0.364 4.708 4.340 0.006 0.000 0.215 324 L C 0.501 177.260 176.870 -0.184 0.000 1.081 324 L CA 0.320 55.064 54.840 -0.160 0.000 0.840 324 L CB 0.325 42.287 42.059 -0.162 0.000 1.002 324 L HN 0.755 nan 8.230 nan 0.000 0.468 325 A N -0.084 122.568 122.820 -0.281 0.000 2.586 325 A HA 0.552 4.875 4.320 0.006 0.000 0.291 325 A C -1.534 175.780 177.584 -0.450 0.000 1.062 325 A CA -0.590 51.228 52.037 -0.365 0.000 0.666 325 A CB 1.497 20.163 19.000 -0.555 0.000 1.281 325 A HN -0.080 nan 8.150 nan 0.000 0.421 326 K N 1.270 121.452 120.400 -0.363 0.000 2.578 326 K HA 0.618 4.941 4.320 0.006 0.000 0.250 326 K C -2.025 174.563 176.600 -0.021 0.000 0.955 326 K CA -0.384 55.762 56.287 -0.234 0.000 0.825 326 K CB 0.820 33.227 32.500 -0.155 0.000 1.151 326 K HN 0.451 nan 8.250 nan 0.000 0.432 327 F N 2.244 122.274 119.950 0.134 0.000 2.443 327 F HA 0.324 4.855 4.527 0.006 0.000 0.335 327 F C 0.363 176.247 175.800 0.139 0.000 1.104 327 F CA -0.961 57.106 58.000 0.112 0.000 1.013 327 F CB 1.537 40.573 39.000 0.060 0.000 1.136 327 F HN 0.400 nan 8.300 nan 0.000 0.470 328 E N 3.953 124.305 120.200 0.255 0.000 2.105 328 E HA 0.140 4.493 4.350 0.006 0.000 0.285 328 E C 0.555 177.076 176.600 -0.130 0.000 1.055 328 E CA -0.270 56.067 56.400 -0.106 0.000 0.843 328 E CB 0.832 30.487 29.700 -0.076 0.000 1.067 328 E HN 0.485 nan 8.360 nan 0.000 0.398 329 M N 1.269 120.735 119.600 -0.224 0.000 2.319 329 M HA 0.013 4.496 4.480 0.006 0.000 0.265 329 M C 1.561 177.783 176.300 -0.129 0.000 1.068 329 M CA 1.077 56.304 55.300 -0.122 0.000 1.118 329 M CB -0.928 31.597 32.600 -0.126 0.000 1.395 329 M HN 0.917 nan 8.290 nan 0.000 0.435 330 G N 0.392 109.018 108.800 -0.289 0.000 2.184 330 G HA2 -0.253 3.710 3.960 0.006 0.000 0.264 330 G HA3 -0.253 3.710 3.960 0.006 0.000 0.264 330 G C -0.031 174.382 174.900 -0.811 0.000 0.975 330 G CA 0.779 45.609 45.100 -0.450 0.000 0.642 330 G HN 0.567 nan 8.290 nan 0.000 0.536 331 H N -1.024 117.887 119.070 -0.265 0.000 2.990 331 H HA 0.537 5.096 4.556 0.006 0.000 0.343 331 H C -0.855 174.393 175.328 -0.135 0.000 1.270 331 H CA -0.974 54.922 56.048 -0.253 0.000 1.118 331 H CB 0.828 30.271 29.762 -0.531 0.000 1.861 331 H HN 0.064 nan 8.280 nan 0.000 0.544 332 E N 1.999 122.248 120.200 0.083 0.000 2.104 332 E HA 0.120 4.473 4.350 0.006 0.000 0.278 332 E C -0.249 176.416 176.600 0.107 0.000 1.127 332 E CA -0.059 56.383 56.400 0.070 0.000 0.897 332 E CB 0.553 30.293 29.700 0.067 0.000 1.043 332 E HN 0.254 nan 8.360 nan 0.000 0.410 333 I N 3.218 123.845 120.570 0.094 0.000 2.321 333 I HA 0.099 4.272 4.170 0.006 0.000 0.291 333 I C 1.124 177.311 176.117 0.116 0.000 0.998 333 I CA -0.298 61.074 61.300 0.120 0.000 1.227 333 I CB 1.155 39.218 38.000 0.106 0.000 1.368 333 I HN 0.367 nan 8.210 nan 0.000 0.466 334 D N 3.186 123.656 120.400 0.115 0.000 2.262 334 D HA 0.046 4.690 4.640 0.006 0.000 0.212 334 D C 0.197 176.593 176.300 0.161 0.000 0.964 334 D CA 0.902 54.978 54.000 0.127 0.000 0.875 334 D CB 0.861 41.714 40.800 0.090 0.000 0.996 334 D HN 0.388 nan 8.370 nan 0.000 0.497 335 S N -0.071 115.718 115.700 0.148 0.000 2.549 335 S HA 0.613 5.086 4.470 0.006 0.000 0.280 335 S C -0.262 174.430 174.600 0.152 0.000 1.109 335 S CA -0.792 57.504 58.200 0.160 0.000 0.905 335 S CB 2.484 65.790 63.200 0.177 0.000 1.081 335 S HN 0.172 nan 8.310 nan 0.000 0.477 336 I N 0.073 120.737 120.570 0.157 0.000 2.934 336 I HA 0.806 4.980 4.170 0.006 0.000 0.306 336 I C -0.930 175.290 176.117 0.172 0.000 1.110 336 I CA -0.642 60.753 61.300 0.158 0.000 1.019 336 I CB 2.368 40.452 38.000 0.140 0.000 1.227 336 I HN 0.503 nan 8.210 nan 0.000 0.434 337 N N 1.274 120.084 118.700 0.184 0.000 3.116 337 N HA 0.702 5.446 4.740 0.006 0.000 0.244 337 N C -1.766 173.845 175.510 0.168 0.000 1.485 337 N CA -0.246 52.922 53.050 0.197 0.000 0.884 337 N CB 2.655 41.283 38.487 0.235 0.000 1.415 337 N HN 0.791 nan 8.380 nan 0.000 0.524 338 V N -1.200 118.793 119.914 0.132 0.000 3.007 338 V HA 0.781 4.904 4.120 0.006 0.000 0.311 338 V C 0.260 176.452 176.094 0.162 0.000 1.120 338 V CA -0.849 61.449 62.300 -0.004 0.000 0.980 338 V CB 1.123 32.837 31.823 -0.182 0.000 1.033 338 V HN 0.756 nan 8.190 nan 0.000 0.429 339 S N 2.069 117.837 115.700 0.113 0.000 2.585 339 S HA 0.314 4.788 4.470 0.006 0.000 0.273 339 S C 0.327 174.997 174.600 0.117 0.000 1.339 339 S CA -0.462 57.851 58.200 0.189 0.000 1.028 339 S CB 1.112 64.406 63.200 0.156 0.000 0.906 339 S HN 0.821 nan 8.310 nan 0.000 0.528 340 Q N 0.997 120.821 119.800 0.039 0.000 2.280 340 Q HA 0.131 4.474 4.340 0.006 0.000 0.201 340 Q C -0.031 175.941 176.000 -0.046 0.000 0.890 340 Q CA 0.012 55.722 55.803 -0.155 0.000 0.947 340 Q CB -0.198 28.451 28.738 -0.149 0.000 1.081 340 Q HN 0.891 nan 8.270 nan 0.000 0.502 341 D N -0.071 120.394 120.400 0.108 0.000 2.451 341 D HA 0.114 4.757 4.640 0.006 0.000 0.259 341 D C 0.012 176.436 176.300 0.205 0.000 1.201 341 D CA -0.457 53.617 54.000 0.123 0.000 1.028 341 D CB 0.915 41.761 40.800 0.078 0.000 1.095 341 D HN -0.124 nan 8.370 nan 0.000 0.539 342 E N -0.743 119.526 120.200 0.114 0.000 2.390 342 E HA 0.131 4.484 4.350 0.006 0.000 0.261 342 E C -0.352 176.264 176.600 0.027 0.000 1.076 342 E CA -0.562 55.879 56.400 0.068 0.000 0.905 342 E CB 0.438 30.163 29.700 0.042 0.000 0.984 342 E HN 0.338 nan 8.360 nan 0.000 0.427 343 K N -0.620 119.772 120.400 -0.013 0.000 3.148 343 K HA -0.151 4.172 4.320 0.006 0.000 0.267 343 K C -2.360 174.220 176.600 -0.034 0.000 0.996 343 K CA 0.091 56.362 56.287 -0.027 0.000 0.737 343 K CB -1.681 30.809 32.500 -0.017 0.000 1.308 343 K HN 0.444 nan 8.250 nan 0.000 0.470 344 P HA -0.036 nan 4.420 nan 0.000 0.269 344 P C 0.165 177.392 177.300 -0.123 0.000 1.217 344 P CA 0.102 63.179 63.100 -0.038 0.000 0.783 344 P CB 0.643 32.342 31.700 -0.001 0.000 0.898 345 L N 1.345 122.442 121.223 -0.210 0.000 2.350 345 L HA 0.317 4.660 4.340 0.006 0.000 0.275 345 L C 0.649 177.196 176.870 -0.539 0.000 1.099 345 L CA -0.937 53.664 54.840 -0.397 0.000 0.808 345 L CB 0.599 42.286 42.059 -0.619 0.000 1.149 345 L HN 0.287 nan 8.230 nan 0.000 0.442 346 L N 3.385 124.354 121.223 -0.422 0.000 2.280 346 L HA 0.407 4.750 4.340 0.006 0.000 0.287 346 L C -1.065 175.634 176.870 -0.284 0.000 1.023 346 L CA 0.030 54.657 54.840 -0.354 0.000 0.819 346 L CB 0.599 42.538 42.059 -0.199 0.000 1.212 346 L HN 0.205 nan 8.230 nan 0.000 0.420 347 Y N 4.307 124.614 120.300 0.012 0.000 2.327 347 Y HA 0.661 5.212 4.550 0.003 0.000 0.336 347 Y C 0.455 176.393 175.900 0.064 0.000 1.035 347 Y CA -0.525 57.609 58.100 0.057 0.000 1.165 347 Y CB 1.558 40.040 38.460 0.036 0.000 1.181 347 Y HN 0.733 nan 8.280 nan 0.000 0.494 348 A N 4.832 127.814 122.820 0.270 0.000 2.466 348 A HA 0.555 4.879 4.320 0.006 0.000 0.291 348 A C -1.576 176.155 177.584 0.245 0.000 1.234 348 A CA -0.619 51.539 52.037 0.202 0.000 0.752 348 A CB 0.276 19.333 19.000 0.094 0.000 1.153 348 A HN 0.688 nan 8.150 nan 0.000 0.458 349 L N 2.832 124.155 121.223 0.166 0.000 2.276 349 L HA 0.635 4.978 4.340 0.006 0.000 0.286 349 L C 0.348 177.282 176.870 0.107 0.000 1.061 349 L CA 0.265 55.162 54.840 0.095 0.000 0.807 349 L CB 1.619 43.705 42.059 0.045 0.000 1.177 349 L HN 0.494 nan 8.230 nan 0.000 0.429 350 S N 2.699 118.459 115.700 0.101 0.000 2.420 350 S HA 0.282 4.755 4.470 0.006 0.000 0.313 350 S C 1.014 175.620 174.600 0.011 0.000 1.079 350 S CA -0.316 57.949 58.200 0.109 0.000 1.104 350 S CB 0.815 64.163 63.200 0.247 0.000 0.969 350 S HN 0.864 nan 8.310 nan 0.000 0.471 351 T N 4.578 119.128 114.554 -0.006 0.000 2.777 351 T HA -0.018 4.335 4.350 0.006 0.000 0.266 351 T C 1.979 176.672 174.700 -0.012 0.000 1.040 351 T CA 1.572 63.639 62.100 -0.055 0.000 1.141 351 T CB -0.599 68.215 68.868 -0.091 0.000 0.868 351 T HN 0.767 nan 8.240 nan 0.000 0.444 352 G N 1.383 110.198 108.800 0.024 0.000 2.394 352 G HA2 -0.152 3.811 3.960 0.006 0.000 0.215 352 G HA3 -0.152 3.811 3.960 0.006 0.000 0.215 352 G C 1.166 176.083 174.900 0.029 0.000 1.165 352 G CA 0.617 45.740 45.100 0.038 0.000 0.784 352 G HN 0.379 nan 8.290 nan 0.000 0.535 353 D N 0.530 120.951 120.400 0.035 0.000 2.355 353 D HA 0.065 4.709 4.640 0.006 0.000 0.218 353 D C 0.710 176.968 176.300 -0.070 0.000 1.004 353 D CA 0.203 54.212 54.000 0.016 0.000 0.880 353 D CB 0.022 40.875 40.800 0.088 0.000 0.911 353 D HN 0.224 nan 8.370 nan 0.000 0.528 354 K N -0.263 120.084 120.400 -0.090 0.000 3.071 354 K HA -0.149 4.175 4.320 0.006 0.000 0.262 354 K C -0.601 175.840 176.600 -0.264 0.000 0.977 354 K CA 0.647 56.833 56.287 -0.169 0.000 0.721 354 K CB -2.039 30.363 32.500 -0.163 0.000 1.293 354 K HN 0.037 nan 8.250 nan 0.000 0.475 355 T N 0.206 114.584 114.554 -0.294 0.000 2.933 355 T HA 0.518 4.871 4.350 0.006 0.000 0.305 355 T C -1.272 173.105 174.700 -0.539 0.000 1.092 355 T CA -0.882 60.925 62.100 -0.488 0.000 1.008 355 T CB 1.619 70.058 68.868 -0.714 0.000 1.102 355 T HN 0.194 nan 8.240 nan 0.000 0.469 356 L N 3.906 124.834 121.223 -0.492 0.000 2.265 356 L HA 0.564 4.908 4.340 0.006 0.000 0.289 356 L C -1.525 175.130 176.870 -0.357 0.000 1.033 356 L CA -0.396 54.262 54.840 -0.302 0.000 0.814 356 L CB -0.058 41.895 42.059 -0.177 0.000 1.203 356 L HN 0.580 nan 8.230 nan 0.000 0.423 357 Y N 5.605 125.914 120.300 0.015 0.000 2.313 357 Y HA 0.515 5.068 4.550 0.006 0.000 0.332 357 Y C 0.109 176.119 175.900 0.184 0.000 1.071 357 Y CA -0.409 57.715 58.100 0.039 0.000 1.169 357 Y CB 1.031 39.542 38.460 0.086 0.000 1.192 357 Y HN 0.410 nan 8.280 nan 0.000 0.487 358 I N 4.709 125.393 120.570 0.190 0.000 2.355 358 I HA 0.286 4.460 4.170 0.006 0.000 0.288 358 I C -0.391 175.709 176.117 -0.028 0.000 0.999 358 I CA -0.393 60.988 61.300 0.134 0.000 1.163 358 I CB 0.630 38.684 38.000 0.090 0.000 1.316 358 I HN 0.630 nan 8.210 nan 0.000 0.454 359 H N 3.255 122.263 119.070 -0.102 0.000 2.621 359 H HA 0.216 4.775 4.556 0.005 0.000 0.360 359 H C -1.070 174.139 175.328 -0.200 0.000 1.163 359 H CA -0.897 55.065 56.048 -0.142 0.000 1.194 359 H CB 2.593 32.258 29.762 -0.161 0.000 1.649 359 H HN 0.487 nan 8.280 nan 0.000 0.532 360 D N 0.827 121.179 120.400 -0.079 0.000 2.401 360 D HA 0.113 4.756 4.640 0.006 0.000 0.254 360 D C 0.795 177.016 176.300 -0.131 0.000 1.192 360 D CA -0.022 53.913 54.000 -0.110 0.000 0.885 360 D CB 0.910 41.646 40.800 -0.106 0.000 1.147 360 D HN 0.606 nan 8.370 nan 0.000 0.478 361 A N 3.685 126.453 122.820 -0.086 0.000 2.168 361 A HA -0.064 4.259 4.320 0.006 0.000 0.215 361 A C 1.840 179.551 177.584 0.212 0.000 1.152 361 A CA 1.017 53.072 52.037 0.030 0.000 0.716 361 A CB -0.358 18.622 19.000 -0.034 0.000 0.794 361 A HN 0.705 nan 8.150 nan 0.000 0.465 362 E N 0.587 120.842 120.200 0.090 0.000 2.021 362 E HA -0.117 4.237 4.350 0.006 0.000 0.189 362 E C 2.155 178.864 176.600 0.181 0.000 0.980 362 E CA 1.746 58.236 56.400 0.149 0.000 0.803 362 E CB -0.124 29.607 29.700 0.052 0.000 0.766 362 E HN 0.583 nan 8.360 nan 0.000 0.449 363 S N -1.604 114.080 115.700 -0.027 0.000 2.486 363 S HA 0.236 4.710 4.470 0.006 0.000 0.220 363 S C 1.742 176.056 174.600 -0.477 0.000 1.011 363 S CA 0.442 58.600 58.200 -0.070 0.000 0.921 363 S CB 0.444 63.604 63.200 -0.068 0.000 0.785 363 S HN 0.580 nan 8.310 nan 0.000 0.517 364 G N 1.492 109.705 108.800 -0.979 0.000 2.179 364 G HA2 -0.338 3.625 3.960 0.006 0.000 0.260 364 G HA3 -0.338 3.625 3.960 0.006 0.000 0.260 364 G C -0.112 174.520 174.900 -0.446 0.000 0.977 364 G CA 0.347 44.529 45.100 -1.530 0.000 0.641 364 G HN 0.836 nan 8.290 nan 0.000 0.533 365 E N 1.024 121.065 120.200 -0.264 0.000 2.414 365 E HA 0.301 4.655 4.350 0.006 0.000 0.263 365 E C 0.406 176.902 176.600 -0.173 0.000 1.000 365 E CA -0.168 56.149 56.400 -0.137 0.000 0.914 365 E CB 0.290 29.919 29.700 -0.118 0.000 0.948 365 E HN 0.439 nan 8.360 nan 0.000 0.444 366 E N 4.319 124.348 120.200 -0.284 0.000 2.290 366 E HA 0.028 4.382 4.350 0.006 0.000 0.277 366 E C 0.213 176.643 176.600 -0.283 0.000 1.035 366 E CA -0.155 55.892 56.400 -0.589 0.000 0.873 366 E CB 0.643 30.034 29.700 -0.516 0.000 1.029 366 E HN 0.671 nan 8.360 nan 0.000 0.419 367 L N 4.737 125.815 121.223 -0.240 0.000 2.425 367 L HA 0.240 4.584 4.340 0.006 0.000 0.215 367 L C 0.966 177.783 176.870 -0.088 0.000 1.065 367 L CA 0.157 54.921 54.840 -0.127 0.000 0.842 367 L CB 0.010 42.010 42.059 -0.098 0.000 1.033 367 L HN 0.588 nan 8.230 nan 0.000 0.474 368 R N -0.886 119.563 120.500 -0.086 0.000 2.829 368 R HA 0.519 4.863 4.340 0.006 0.000 0.284 368 R C -1.552 174.723 176.300 -0.043 0.000 1.006 368 R CA -0.442 55.627 56.100 -0.051 0.000 0.844 368 R CB 1.078 31.352 30.300 -0.044 0.000 1.309 368 R HN -0.091 nan 8.270 nan 0.000 0.494 369 S N -0.255 115.403 115.700 -0.070 0.000 2.570 369 S HA 0.673 5.146 4.470 0.006 0.000 0.270 369 S C -1.221 173.263 174.600 -0.193 0.000 1.149 369 S CA -0.769 57.334 58.200 -0.163 0.000 0.837 369 S CB 2.221 65.281 63.200 -0.233 0.000 1.124 369 S HN 0.480 nan 8.310 nan 0.000 0.465 370 V N 3.354 123.106 119.914 -0.269 0.000 2.443 370 V HA 0.522 4.646 4.120 0.006 0.000 0.293 370 V C -0.408 175.490 176.094 -0.327 0.000 1.021 370 V CA -0.715 61.438 62.300 -0.245 0.000 0.848 370 V CB 0.970 32.668 31.823 -0.208 0.000 0.998 370 V HN 1.033 nan 8.190 nan 0.000 0.424 371 N N 3.134 121.664 118.700 -0.284 0.000 2.643 371 N HA 0.336 5.079 4.740 0.006 0.000 0.305 371 N C 0.069 175.400 175.510 -0.298 0.000 1.283 371 N CA -0.829 52.044 53.050 -0.295 0.000 0.946 371 N CB 0.348 38.703 38.487 -0.221 0.000 1.149 371 N HN 0.567 nan 8.380 nan 0.000 0.600 372 Q N -1.399 118.240 119.800 -0.268 0.000 2.475 372 Q HA -0.134 4.210 4.340 0.006 0.000 0.280 372 Q C -0.818 174.929 176.000 -0.422 0.000 1.234 372 Q CA 0.358 56.006 55.803 -0.258 0.000 0.873 372 Q CB -1.937 26.695 28.738 -0.175 0.000 1.256 372 Q HN 0.497 nan 8.270 nan 0.000 0.475 373 L N 0.588 121.465 121.223 -0.576 0.000 2.536 373 L HA 0.368 4.711 4.340 0.006 0.000 0.242 373 L C 1.328 177.837 176.870 -0.603 0.000 1.280 373 L CA 0.402 54.592 54.840 -1.085 0.000 1.221 373 L CB -0.557 40.931 42.059 -0.950 0.000 1.449 373 L HN 0.546 nan 8.230 nan 0.000 0.405 374 G N 0.263 108.885 108.800 -0.297 0.000 2.553 374 G HA2 -0.275 3.689 3.960 0.006 0.000 0.242 374 G HA3 -0.275 3.689 3.960 0.006 0.000 0.242 374 G C 0.444 175.141 174.900 -0.339 0.000 1.277 374 G CA -0.050 44.953 45.100 -0.163 0.000 0.910 374 G HN 0.491 nan 8.290 nan 0.000 0.576 375 H N 0.586 119.662 119.070 0.009 0.000 2.506 375 H HA 0.340 4.900 4.556 0.006 0.000 0.289 375 H C 1.769 177.053 175.328 -0.073 0.000 1.009 375 H CA 1.310 57.359 56.048 0.002 0.000 1.303 375 H CB 0.848 30.640 29.762 0.050 0.000 1.453 375 H HN 1.230 nan 8.280 nan 0.000 0.526 376 G N 2.813 111.508 108.800 -0.175 0.000 4.101 376 G HA2 0.176 4.140 3.960 0.006 0.000 0.262 376 G HA3 0.176 4.140 3.960 0.006 0.000 0.262 376 G C -3.085 171.591 174.900 -0.372 0.000 1.181 376 G CA -0.758 44.050 45.100 -0.486 0.000 0.640 376 G HN -0.079 nan 8.290 nan 0.000 0.467 377 P HA 0.165 nan 4.420 nan 0.000 0.271 377 P C -0.162 177.030 177.300 -0.179 0.000 1.216 377 P CA 0.252 63.261 63.100 -0.151 0.000 0.771 377 P CB 2.214 33.832 31.700 -0.137 0.000 0.864 378 Q N 0.658 120.367 119.800 -0.151 0.000 2.237 378 Q HA 0.181 4.525 4.340 0.006 0.000 0.254 378 Q C -0.310 175.722 176.000 0.053 0.000 0.771 378 Q CA 0.168 55.860 55.803 -0.186 0.000 0.958 378 Q CB 1.108 29.520 28.738 -0.543 0.000 1.202 378 Q HN 0.237 nan 8.270 nan 0.000 0.492 379 V N 1.920 121.889 119.914 0.093 0.000 2.540 379 V HA 0.466 4.590 4.120 0.006 0.000 0.302 379 V C -0.672 175.489 176.094 0.111 0.000 1.035 379 V CA -0.591 61.814 62.300 0.175 0.000 0.873 379 V CB 1.895 33.847 31.823 0.216 0.000 0.992 379 V HN 0.134 nan 8.190 nan 0.000 0.428 380 I N 3.684 124.321 120.570 0.112 0.000 2.404 380 I HA 0.614 4.788 4.170 0.006 0.000 0.293 380 I C -0.050 176.112 176.117 0.075 0.000 0.992 380 I CA -0.109 61.231 61.300 0.066 0.000 1.149 380 I CB 2.082 40.117 38.000 0.058 0.000 1.315 380 I HN 0.537 nan 8.210 nan 0.000 0.446 381 T N 2.976 117.572 114.554 0.070 0.000 2.893 381 T HA 0.610 4.964 4.350 0.006 0.000 0.293 381 T C -0.215 174.558 174.700 0.122 0.000 1.027 381 T CA -0.756 61.387 62.100 0.072 0.000 0.988 381 T CB 1.935 70.800 68.868 -0.006 0.000 1.043 381 T HN 0.738 nan 8.240 nan 0.000 0.461 382 T N -0.833 113.789 114.554 0.114 0.000 2.916 382 T HA 0.847 5.200 4.350 0.006 0.000 0.292 382 T C -0.410 174.357 174.700 0.111 0.000 1.055 382 T CA -1.019 61.163 62.100 0.137 0.000 1.009 382 T CB 1.709 70.662 68.868 0.142 0.000 1.118 382 T HN 0.775 nan 8.240 nan 0.000 0.497 383 A N 1.050 123.937 122.820 0.112 0.000 2.310 383 A HA 0.588 4.912 4.320 0.006 0.000 0.299 383 A C -0.182 177.433 177.584 0.051 0.000 1.147 383 A CA -0.605 51.468 52.037 0.060 0.000 0.818 383 A CB 0.477 19.509 19.000 0.053 0.000 1.096 383 A HN 0.870 nan 8.150 nan 0.000 0.495 384 D N 2.712 123.131 120.400 0.031 0.000 2.456 384 D HA 0.374 5.018 4.640 0.006 0.000 0.219 384 D C 0.545 176.849 176.300 0.008 0.000 1.126 384 D CA -0.100 53.906 54.000 0.010 0.000 0.890 384 D CB 0.409 41.208 40.800 -0.001 0.000 1.025 384 D HN 0.459 nan 8.370 nan 0.000 0.511 385 M N 1.456 121.063 119.600 0.013 0.000 2.509 385 M HA 0.221 4.704 4.480 0.006 0.000 0.250 385 M C 1.356 177.664 176.300 0.014 0.000 1.132 385 M CA -0.202 55.108 55.300 0.016 0.000 1.080 385 M CB 0.676 33.291 32.600 0.025 0.000 1.408 385 M HN 0.249 nan 8.290 nan 0.000 0.484 386 G N 0.000 108.804 108.800 0.006 0.000 5.446 386 G HA2 0.000 3.963 3.960 0.006 0.000 0.244 386 G HA3 0.000 3.963 3.960 0.006 0.000 0.244 386 G CA 0.000 45.105 45.100 0.008 0.000 0.502 386 G HN 0.000 nan 8.290 nan 0.000 0.925