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 2hg4_1_D DATA FIRST_RESID 8 DATA SEQUENCE TEEKLRRYLK RTVTELDSVT ARLREVEHRA GEPIAIVGXA CRFPGDVDSP DATA SEQUENCE ESFWEFVSGG GDAIAEAPAD RGWEPDPDAR LGGXLAAAGD FDAGFFGISP DATA SEQUENCE REALAXDPQQ RIXLEISWEA LERAGHDPVS LRGSATGVFT GVGTVDYGPR DATA SEQUENCE PDEAPDEVLG YVGTGTASSV ASGRVAYCLG LEGPAXTVDT ACSSGLTALH DATA SEQUENCE LAXESLRRDE CGLALAGGVT VXSSPGAFTE FRSQGGLAAD GRCKPFSKAA DATA SEQUENCE DGFGLAEGAG VLVLQRLSAA RREGRPVLAV LRGSAVNQDG ASNGLTAPSG DATA SEQUENCE PAQQRVIRRA LENAGVRAGD VDYVEAHGTG TRLGDPIEVH ALLSTYGAER DATA SEQUENCE DPDDPLWIGS VKSNIGHTQA AAGVAGVXKA VLALRHGEXP RTLHFDEPSP DATA SEQUENCE QIEWDLXAVS VVSQARSWPA GERPRRAGVS SFGISGTNAH VIVEEAPEAD DATA SEQUENCE XXXXXXXXGP VPLVLSGRDE QAXRAQAGRL ADHLAREPRN SLRDTGFTLA DATA SEQUENCE TRRSAWEHRA VVVGDRDEAL AGLRAVADGR IADRTATGQA RTRRGVAXVF DATA SEQUENCE PGQXXQWQGX ARDLLRESQV FADSIRDCER ALAPHVDWSL TDLLSGARPL DATA SEQUENCE DRVDVVQPAL FAVXVSLAAL WRSHGVEPAA VVGHSQGEIA AAHVAGALTL DATA SEQUENCE EDAAKLVAVR SRVLRRLGGQ GGXASFGLGT EQAAERIGRF AGALSIASVN DATA SEQUENCE GPRSVVVAGE SGPLDELIAE CEAEAHKARR IPVDYASHSP QVESLREELL DATA SEQUENCE TELAGISPVS ADVALYSTTT GQPIDTATXD TAYWYANLRE QVRFQDATRQ DATA SEQUENCE LAEAGFDAFV EVSPHPVLTV GIEATLDSAL PADAGACVVG TLRRDRGGLA DATA SEQUENCE DFHTALGEAY AQGVEVDWSP AFADARPVEL PVYPFQRQRY WLPI 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.712 174.700 0.019 0.000 1.109 8 T CA 0.000 62.110 62.100 0.017 0.000 1.349 8 T CB 0.000 68.878 68.868 0.017 0.000 0.612 9 E N 0.401 120.610 120.200 0.014 0.000 2.130 9 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 9 E C 1.315 177.929 176.600 0.023 0.000 0.998 9 E CA 2.101 58.510 56.400 0.015 0.000 0.806 9 E CB 0.008 29.715 29.700 0.011 0.000 0.738 9 E HN 0.659 nan 8.360 nan 0.000 0.459 10 E N 0.707 120.920 120.200 0.022 0.000 2.023 10 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 10 E C 2.043 178.665 176.600 0.036 0.000 1.003 10 E CA 1.203 57.618 56.400 0.025 0.000 0.809 10 E CB -0.057 29.655 29.700 0.019 0.000 0.755 10 E HN 0.075 nan 8.360 nan 0.000 0.449 11 K N 0.277 120.703 120.400 0.042 0.000 2.097 11 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 11 K C 2.005 178.666 176.600 0.101 0.000 1.049 11 K CA 0.507 56.833 56.287 0.065 0.000 0.933 11 K CB -0.448 32.092 32.500 0.066 0.000 0.717 11 K HN 0.156 nan 8.250 nan 0.000 0.442 12 L N 1.469 122.738 121.223 0.077 0.000 1.989 12 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 12 L C 2.484 179.415 176.870 0.103 0.000 1.071 12 L CA 1.717 56.604 54.840 0.078 0.000 0.749 12 L CB -0.742 41.334 42.059 0.027 0.000 0.890 12 L HN 0.191 nan 8.230 nan 0.000 0.431 13 R N -0.475 120.067 120.500 0.070 0.000 2.081 13 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 13 R C 2.446 178.789 176.300 0.072 0.000 1.131 13 R CA 1.620 57.756 56.100 0.061 0.000 0.960 13 R CB -0.240 30.083 30.300 0.038 0.000 0.856 13 R HN 0.273 nan 8.270 nan 0.000 0.436 14 R N -0.821 119.719 120.500 0.066 0.000 2.193 14 R HA -0.188 4.152 4.340 -0.000 0.000 0.229 14 R C 1.758 178.090 176.300 0.052 0.000 1.110 14 R CA 1.317 57.443 56.100 0.044 0.000 0.988 14 R CB -0.220 30.095 30.300 0.025 0.000 0.871 14 R HN 0.288 nan 8.270 nan 0.000 0.458 15 Y N 0.859 121.160 120.300 0.002 0.000 2.130 15 Y HA -0.151 4.399 4.550 -0.000 0.000 0.287 15 Y C 2.030 177.931 175.900 0.002 0.000 1.124 15 Y CA 1.399 59.501 58.100 0.002 0.000 1.118 15 Y CB -0.532 37.930 38.460 0.002 0.000 0.994 15 Y HN -0.014 nan 8.280 nan 0.000 0.497 16 L N 0.465 121.853 121.223 0.275 0.000 2.051 16 L HA -0.332 4.008 4.340 -0.000 0.000 0.214 16 L C 2.714 179.646 176.870 0.104 0.000 1.076 16 L CA 2.006 56.943 54.840 0.162 0.000 0.758 16 L CB -0.480 41.632 42.059 0.088 0.000 0.890 16 L HN 0.232 nan 8.230 nan 0.000 0.433 17 K N 0.346 120.789 120.400 0.070 0.000 1.985 17 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 17 K C 2.148 178.758 176.600 0.016 0.000 1.047 17 K CA 1.626 57.933 56.287 0.033 0.000 0.932 17 K CB -0.204 32.307 32.500 0.019 0.000 0.716 17 K HN 0.294 nan 8.250 nan 0.000 0.439 18 R N 0.001 120.492 120.500 -0.013 0.000 2.096 18 R HA -0.114 4.226 4.340 -0.000 0.000 0.240 18 R C 2.494 178.778 176.300 -0.027 0.000 1.139 18 R CA 2.213 58.278 56.100 -0.058 0.000 0.952 18 R CB -0.583 29.621 30.300 -0.160 0.000 0.854 18 R HN 0.329 nan 8.270 nan 0.000 0.436 19 T N 0.604 115.173 114.554 0.024 0.000 2.652 19 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 19 T C 1.943 176.674 174.700 0.052 0.000 1.039 19 T CA 1.544 63.691 62.100 0.078 0.000 1.153 19 T CB -0.243 68.737 68.868 0.186 0.000 0.863 19 T HN 0.010 nan 8.240 nan 0.000 0.428 20 V N 1.709 121.652 119.914 0.050 0.000 2.594 20 V HA -0.176 3.944 4.120 -0.000 0.000 0.253 20 V C 2.669 178.776 176.094 0.021 0.000 1.069 20 V CA 1.931 64.252 62.300 0.034 0.000 1.082 20 V CB -1.096 30.746 31.823 0.032 0.000 0.680 20 V HN 0.603 nan 8.190 nan 0.000 0.469 21 T N -0.499 114.063 114.554 0.014 0.000 2.812 21 T HA -0.157 4.193 4.350 -0.000 0.000 0.264 21 T C 1.767 176.470 174.700 0.006 0.000 1.042 21 T CA 1.381 63.485 62.100 0.006 0.000 1.140 21 T CB -0.188 68.678 68.868 -0.003 0.000 0.870 21 T HN 0.579 nan 8.240 nan 0.000 0.445 22 E N 1.017 121.220 120.200 0.006 0.000 2.118 22 E HA -0.060 4.290 4.350 -0.000 0.000 0.195 22 E C 2.163 178.771 176.600 0.014 0.000 0.992 22 E CA 0.595 57.000 56.400 0.008 0.000 0.804 22 E CB -0.279 29.428 29.700 0.011 0.000 0.741 22 E HN 0.330 nan 8.360 nan 0.000 0.458 23 L N 1.454 122.688 121.223 0.019 0.000 2.012 23 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 23 L C 1.607 178.486 176.870 0.014 0.000 1.073 23 L CA 2.114 56.966 54.840 0.019 0.000 0.748 23 L CB -0.295 41.777 42.059 0.022 0.000 0.891 23 L HN 0.242 nan 8.230 nan 0.000 0.431 24 D N -2.385 118.022 120.400 0.012 0.000 2.367 24 D HA -0.099 4.541 4.640 -0.000 0.000 0.207 24 D C 1.976 178.281 176.300 0.007 0.000 1.034 24 D CA 0.833 54.838 54.000 0.009 0.000 0.861 24 D CB -0.182 40.623 40.800 0.008 0.000 0.943 24 D HN 0.333 nan 8.370 nan 0.000 0.515 25 S N -0.012 115.693 115.700 0.007 0.000 2.453 25 S HA -0.065 4.405 4.470 -0.000 0.000 0.231 25 S C 1.817 176.423 174.600 0.009 0.000 1.005 25 S CA 0.503 58.707 58.200 0.007 0.000 0.949 25 S CB -0.535 62.668 63.200 0.005 0.000 0.774 25 S HN 0.149 nan 8.310 nan 0.000 0.510 26 V N 1.966 121.887 119.914 0.011 0.000 2.331 26 V HA -0.093 4.027 4.120 -0.000 0.000 0.242 26 V C 2.847 178.949 176.094 0.013 0.000 1.034 26 V CA 2.052 64.359 62.300 0.013 0.000 1.027 26 V CB -1.528 30.304 31.823 0.014 0.000 0.667 26 V HN 0.523 nan 8.190 nan 0.000 0.457 27 T N 1.062 115.624 114.554 0.013 0.000 2.699 27 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 27 T C 1.980 176.688 174.700 0.012 0.000 1.036 27 T CA 1.890 63.998 62.100 0.012 0.000 1.147 27 T CB -0.466 68.409 68.868 0.011 0.000 0.862 27 T HN 0.553 nan 8.240 nan 0.000 0.446 28 A N 0.982 123.808 122.820 0.010 0.000 2.014 28 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 28 A C 2.313 179.906 177.584 0.014 0.000 1.163 28 A CA 1.092 53.133 52.037 0.007 0.000 0.652 28 A CB -0.437 18.565 19.000 0.002 0.000 0.808 28 A HN 0.343 nan 8.150 nan 0.000 0.449 29 R N -0.568 119.941 120.500 0.016 0.000 2.119 29 R HA 0.062 4.402 4.340 -0.000 0.000 0.222 29 R C 2.011 178.327 176.300 0.027 0.000 1.088 29 R CA 0.699 56.813 56.100 0.022 0.000 0.984 29 R CB -0.280 30.032 30.300 0.019 0.000 0.884 29 R HN 0.537 nan 8.270 nan 0.000 0.447 30 L N 1.107 122.344 121.223 0.023 0.000 2.013 30 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 30 L C 2.602 179.492 176.870 0.034 0.000 1.073 30 L CA 1.798 56.653 54.840 0.026 0.000 0.753 30 L CB -0.468 41.604 42.059 0.021 0.000 0.890 30 L HN 0.258 nan 8.230 nan 0.000 0.432 31 R N -0.431 120.088 120.500 0.033 0.000 2.096 31 R HA -0.199 4.141 4.340 -0.000 0.000 0.235 31 R C 2.131 178.476 176.300 0.074 0.000 1.127 31 R CA 1.417 57.542 56.100 0.042 0.000 0.968 31 R CB -0.109 30.203 30.300 0.019 0.000 0.861 31 R HN 0.375 nan 8.270 nan 0.000 0.440 32 E N 0.163 120.403 120.200 0.066 0.000 2.047 32 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 32 E C 2.053 178.720 176.600 0.112 0.000 0.987 32 E CA 1.313 57.775 56.400 0.104 0.000 0.799 32 E CB -0.106 29.635 29.700 0.069 0.000 0.752 32 E HN 0.200 nan 8.360 nan 0.000 0.449 33 V N 1.657 121.611 119.914 0.065 0.000 2.287 33 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 33 V C 2.211 178.329 176.094 0.040 0.000 1.053 33 V CA 1.989 64.314 62.300 0.043 0.000 1.027 33 V CB -0.432 31.409 31.823 0.030 0.000 0.646 33 V HN 0.269 nan 8.190 nan 0.000 0.447 34 E N -0.998 119.234 120.200 0.054 0.000 2.072 34 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 34 E C 2.203 178.842 176.600 0.064 0.000 0.985 34 E CA 1.188 57.617 56.400 0.049 0.000 0.801 34 E CB -0.311 29.419 29.700 0.050 0.000 0.750 34 E HN 0.751 nan 8.360 nan 0.000 0.452 35 H N 1.568 120.643 119.070 0.009 0.000 2.290 35 H HA -0.087 4.469 4.556 0.000 0.000 0.298 35 H C 2.087 177.420 175.328 0.009 0.000 1.087 35 H CA 1.598 57.651 56.048 0.009 0.000 1.291 35 H CB 0.127 29.894 29.762 0.009 0.000 1.369 35 H HN -0.006 nan 8.280 nan 0.000 0.492 36 R N 0.104 120.479 120.500 -0.208 0.000 2.120 36 R HA -0.063 4.277 4.340 -0.000 0.000 0.234 36 R C 2.647 178.844 176.300 -0.171 0.000 1.123 36 R CA 0.869 56.816 56.100 -0.256 0.000 0.975 36 R CB -0.164 30.092 30.300 -0.073 0.000 0.866 36 R HN 0.380 nan 8.270 nan 0.000 0.446 37 A N 0.317 123.078 122.820 -0.098 0.000 1.877 37 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 37 A C 1.939 179.479 177.584 -0.074 0.000 1.186 37 A CA 1.741 53.740 52.037 -0.064 0.000 0.620 37 A CB -0.589 18.394 19.000 -0.029 0.000 0.822 37 A HN 0.437 nan 8.150 nan 0.000 0.443 38 G N -0.574 108.176 108.800 -0.083 0.000 3.609 38 G HA2 0.337 4.297 3.960 -0.000 0.000 0.280 38 G HA3 0.337 4.297 3.960 -0.000 0.000 0.280 38 G C 0.129 174.972 174.900 -0.095 0.000 1.155 38 G CA 0.005 45.068 45.100 -0.061 0.000 0.876 38 G HN 0.581 nan 8.290 nan 0.000 0.535 39 E N 1.250 121.344 120.200 -0.177 0.000 2.354 39 E HA 0.259 4.609 4.350 -0.000 0.000 0.269 39 E C -2.270 174.277 176.600 -0.088 0.000 1.036 39 E CA -1.904 54.365 56.400 -0.218 0.000 0.876 39 E CB 1.256 30.739 29.700 -0.363 0.000 1.009 39 E HN 0.018 nan 8.360 nan 0.000 0.416 40 P HA 0.064 nan 4.420 nan 0.000 0.271 40 P C -0.923 176.371 177.300 -0.010 0.000 1.216 40 P CA -0.095 63.002 63.100 -0.007 0.000 0.776 40 P CB 0.426 32.138 31.700 0.018 0.000 0.881 41 I N 2.440 123.006 120.570 -0.006 0.000 2.321 41 I HA 0.375 4.545 4.170 -0.000 0.000 0.291 41 I C 0.408 176.529 176.117 0.007 0.000 0.998 41 I CA -0.751 60.547 61.300 -0.004 0.000 1.227 41 I CB 0.661 38.653 38.000 -0.013 0.000 1.368 41 I HN 0.307 nan 8.210 nan 0.000 0.466 42 A N 7.669 130.496 122.820 0.011 0.000 2.328 42 A HA 0.599 4.919 4.320 -0.000 0.000 0.284 42 A C 0.022 177.617 177.584 0.017 0.000 1.160 42 A CA -0.419 51.626 52.037 0.013 0.000 0.818 42 A CB -0.114 18.895 19.000 0.014 0.000 1.087 42 A HN 0.644 nan 8.150 nan 0.000 0.504 43 I N 2.995 123.574 120.570 0.016 0.000 2.396 43 I HA 0.109 4.279 4.170 -0.000 0.000 0.289 43 I C 0.722 176.851 176.117 0.021 0.000 1.056 43 I CA 0.158 61.472 61.300 0.023 0.000 1.365 43 I CB 1.364 39.380 38.000 0.025 0.000 1.407 43 I HN 0.409 nan 8.210 nan 0.000 0.509 44 V N 5.755 125.688 119.914 0.032 0.000 3.380 44 V HA 0.524 4.644 4.120 -0.000 0.000 0.307 44 V C 0.501 176.621 176.094 0.043 0.000 1.434 44 V CA 0.688 63.009 62.300 0.036 0.000 1.075 44 V CB 0.291 32.145 31.823 0.052 0.000 0.954 44 V HN 0.995 nan 8.190 nan 0.000 0.444 48 C N -0.322 118.924 119.300 -0.089 0.000 3.332 48 C HA 1.002 5.462 4.460 -0.000 0.000 0.329 48 C C -0.958 173.817 174.990 -0.358 0.000 1.434 48 C CA -0.898 57.931 59.018 -0.315 0.000 1.314 48 C CB 1.534 29.058 27.740 -0.361 0.000 1.664 48 C HN 1.382 nan 8.230 nan 0.000 0.457 49 R N 0.423 120.523 120.500 -0.666 0.000 2.605 49 R HA 0.771 5.111 4.340 -0.000 0.000 0.291 49 R C -1.963 173.947 176.300 -0.650 0.000 1.226 49 R CA -0.135 55.692 56.100 -0.455 0.000 0.981 49 R CB 0.474 30.597 30.300 -0.294 0.000 1.215 49 R HN 0.738 nan 8.270 nan 0.000 0.428 50 F N 2.911 122.770 119.950 -0.152 0.000 2.640 50 F HA 0.632 5.159 4.527 -0.000 0.000 0.324 50 F C -1.796 173.917 175.800 -0.145 0.000 1.077 50 F CA -2.452 55.453 58.000 -0.158 0.000 0.965 50 F CB 1.565 40.411 39.000 -0.257 0.000 1.351 50 F HN 0.334 nan 8.300 nan 0.000 0.487 51 P HA 0.253 nan 4.420 nan 0.000 0.268 51 P C 0.306 177.436 177.300 -0.284 0.000 1.208 51 P CA 0.962 64.046 63.100 -0.028 0.000 0.777 51 P CB 0.466 32.191 31.700 0.041 0.000 0.875 52 G N 1.102 109.712 108.800 -0.316 0.000 2.131 52 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.223 52 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.223 52 G C -0.227 174.492 174.900 -0.301 0.000 0.990 52 G CA 0.031 44.792 45.100 -0.565 0.000 0.671 52 G HN 0.573 nan 8.290 nan 0.000 0.521 53 D N -1.836 118.475 120.400 -0.148 0.000 2.760 53 D HA -0.133 4.507 4.640 -0.000 0.000 0.244 53 D C 0.402 176.679 176.300 -0.038 0.000 1.123 53 D CA 1.316 55.278 54.000 -0.063 0.000 0.719 53 D CB -1.330 39.459 40.800 -0.019 0.000 1.045 53 D HN 0.908 nan 8.370 nan 0.000 0.426 54 V N 1.564 121.454 119.914 -0.039 0.000 2.347 54 V HA 0.346 4.466 4.120 -0.000 0.000 0.280 54 V C 0.971 177.073 176.094 0.014 0.000 1.021 54 V CA -0.158 62.164 62.300 0.037 0.000 0.847 54 V CB 1.869 33.756 31.823 0.108 0.000 0.990 54 V HN 0.241 nan 8.190 nan 0.000 0.444 55 D N 1.914 122.340 120.400 0.044 0.000 2.498 55 D HA 0.097 4.737 4.640 -0.000 0.000 0.223 55 D C 0.594 176.931 176.300 0.062 0.000 1.125 55 D CA 0.297 54.313 54.000 0.027 0.000 0.835 55 D CB 0.629 41.455 40.800 0.043 0.000 1.086 55 D HN 0.548 nan 8.370 nan 0.000 0.510 56 S N -1.164 114.603 115.700 0.112 0.000 2.632 56 S HA 0.588 5.058 4.470 -0.000 0.000 0.289 56 S C -2.362 172.368 174.600 0.217 0.000 1.115 56 S CA -1.230 57.056 58.200 0.145 0.000 0.889 56 S CB 2.359 65.650 63.200 0.150 0.000 1.116 56 S HN -0.318 nan 8.310 nan 0.000 0.486 57 P HA 0.005 nan 4.420 nan 0.000 0.216 57 P C 1.838 179.356 177.300 0.363 0.000 1.150 57 P CA 2.307 65.606 63.100 0.331 0.000 0.837 57 P CB -0.302 31.540 31.700 0.236 0.000 0.786 58 E N 0.310 120.677 120.200 0.278 0.000 2.058 58 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 58 E C 2.087 178.878 176.600 0.320 0.000 0.997 58 E CA 2.281 58.850 56.400 0.281 0.000 0.801 58 E CB -1.800 28.024 29.700 0.208 0.000 0.746 58 E HN 0.476 nan 8.360 nan 0.000 0.450 59 S N -0.845 115.030 115.700 0.291 0.000 2.436 59 S HA 0.025 4.495 4.470 -0.000 0.000 0.228 59 S C 1.936 176.765 174.600 0.383 0.000 1.014 59 S CA 0.975 59.342 58.200 0.277 0.000 0.950 59 S CB -0.324 63.001 63.200 0.208 0.000 0.784 59 S HN 0.481 nan 8.310 nan 0.000 0.504 60 F N 1.782 121.888 119.950 0.259 0.000 2.216 60 F HA 0.087 4.614 4.527 0.000 0.000 0.300 60 F C 2.032 178.034 175.800 0.337 0.000 1.085 60 F CA 0.398 58.571 58.000 0.290 0.000 1.326 60 F CB -0.647 38.542 39.000 0.315 0.000 1.027 60 F HN 0.413 nan 8.300 nan 0.000 0.497 61 W N 1.283 122.665 121.300 0.136 0.000 2.441 61 W HA -0.137 4.523 4.660 -0.000 0.000 0.302 61 W C 2.025 178.524 176.519 -0.033 0.000 1.191 61 W CA 1.440 58.765 57.345 -0.033 0.000 1.327 61 W CB -0.366 29.112 29.460 0.030 0.000 1.128 61 W HN 0.010 nan 8.180 nan 0.000 0.522 62 E N 0.042 120.251 120.200 0.015 0.000 2.114 62 E HA -0.303 4.047 4.350 -0.000 0.000 0.199 62 E C 1.954 178.490 176.600 -0.107 0.000 1.008 62 E CA 2.096 58.439 56.400 -0.094 0.000 0.810 62 E CB -0.743 28.998 29.700 0.068 0.000 0.739 62 E HN 0.246 nan 8.360 nan 0.000 0.456 63 F N 0.623 120.509 119.950 -0.106 0.000 2.113 63 F HA -0.171 4.356 4.527 0.000 0.000 0.297 63 F C 2.173 177.852 175.800 -0.201 0.000 1.103 63 F CA 0.974 58.923 58.000 -0.086 0.000 1.248 63 F CB -0.184 38.847 39.000 0.053 0.000 0.999 63 F HN -0.205 nan 8.300 nan 0.000 0.475 64 V N -0.092 119.699 119.914 -0.205 0.000 2.283 64 V HA -0.236 3.884 4.120 -0.000 0.000 0.243 64 V C 2.584 178.350 176.094 -0.546 0.000 1.039 64 V CA 1.936 64.014 62.300 -0.370 0.000 1.016 64 V CB -0.980 30.583 31.823 -0.433 0.000 0.650 64 V HN 0.528 nan 8.190 nan 0.000 0.449 65 S N 0.921 116.107 115.700 -0.856 0.000 2.423 65 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 65 S C 1.910 176.172 174.600 -0.563 0.000 1.014 65 S CA 1.206 58.868 58.200 -0.897 0.000 0.965 65 S CB -0.621 61.678 63.200 -1.501 0.000 0.785 65 S HN 0.557 nan 8.310 nan 0.000 0.495 66 G N 0.617 109.119 108.800 -0.497 0.000 2.848 66 G HA2 0.383 4.343 3.960 -0.000 0.000 0.208 66 G HA3 0.383 4.343 3.960 -0.000 0.000 0.208 66 G C 1.055 175.738 174.900 -0.362 0.000 1.152 66 G CA 0.005 44.886 45.100 -0.365 0.000 0.789 66 G HN 1.438 nan 8.290 nan 0.000 0.531 67 G N -0.747 107.807 108.800 -0.410 0.000 2.198 67 G HA2 0.037 3.997 3.960 -0.000 0.000 0.257 67 G HA3 0.037 3.997 3.960 -0.000 0.000 0.257 67 G C 0.706 175.335 174.900 -0.451 0.000 1.042 67 G CA 0.220 45.099 45.100 -0.370 0.000 0.791 67 G HN 1.029 nan 8.290 nan 0.000 0.502 68 G N -0.687 107.654 108.800 -0.764 0.000 2.544 68 G HA2 0.441 4.401 3.960 -0.000 0.000 0.242 68 G HA3 0.441 4.401 3.960 -0.000 0.000 0.242 68 G C -0.437 174.069 174.900 -0.657 0.000 1.247 68 G CA 0.447 44.866 45.100 -1.135 0.000 0.840 68 G HN 0.368 nan 8.290 nan 0.000 0.578 69 D N 0.509 120.784 120.400 -0.209 0.000 2.469 69 D HA 0.469 5.109 4.640 -0.000 0.000 0.251 69 D C 0.739 177.243 176.300 0.339 0.000 1.173 69 D CA -0.322 53.755 54.000 0.129 0.000 0.882 69 D CB 1.256 42.131 40.800 0.125 0.000 1.129 69 D HN 0.316 nan 8.370 nan 0.000 0.549 70 A N 4.467 127.574 122.820 0.478 0.000 2.251 70 A HA 0.155 4.475 4.320 -0.000 0.000 0.209 70 A C 0.824 178.521 177.584 0.188 0.000 1.187 70 A CA -0.046 52.201 52.037 0.350 0.000 0.823 70 A CB -0.188 18.923 19.000 0.185 0.000 0.846 70 A HN 0.531 nan 8.150 nan 0.000 0.486 71 I N 0.805 121.481 120.570 0.177 0.000 2.556 71 I HA 0.439 4.609 4.170 -0.000 0.000 0.284 71 I C 0.609 176.783 176.117 0.095 0.000 1.114 71 I CA 0.095 61.472 61.300 0.128 0.000 1.418 71 I CB -0.165 37.903 38.000 0.114 0.000 1.394 71 I HN 0.319 nan 8.210 nan 0.000 0.552 72 A N 5.798 128.664 122.820 0.078 0.000 2.540 72 A HA 0.432 4.752 4.320 -0.000 0.000 0.291 72 A C -0.453 177.150 177.584 0.031 0.000 1.083 72 A CA -0.771 51.294 52.037 0.046 0.000 0.650 72 A CB 0.718 19.741 19.000 0.037 0.000 1.292 72 A HN 0.616 nan 8.150 nan 0.000 0.435 73 E N 0.151 120.351 120.200 0.000 0.000 2.438 73 E HA 0.359 4.709 4.350 -0.000 0.000 0.261 73 E C 0.537 177.098 176.600 -0.065 0.000 1.103 73 E CA 0.453 56.835 56.400 -0.030 0.000 0.959 73 E CB 0.674 30.348 29.700 -0.045 0.000 0.958 73 E HN 0.887 nan 8.360 nan 0.000 0.447 74 A N 3.528 126.278 122.820 -0.116 0.000 2.371 74 A HA 0.304 4.624 4.320 -0.000 0.000 0.257 74 A C -2.036 175.374 177.584 -0.290 0.000 1.089 74 A CA -1.247 50.655 52.037 -0.226 0.000 0.794 74 A CB -0.071 18.721 19.000 -0.345 0.000 1.029 74 A HN 0.369 nan 8.150 nan 0.000 0.488 75 P HA 0.244 nan 4.420 nan 0.000 0.271 75 P C 0.126 177.181 177.300 -0.408 0.000 1.218 75 P CA 0.135 63.040 63.100 -0.326 0.000 0.780 75 P CB 1.128 32.629 31.700 -0.331 0.000 0.901 76 A N 1.935 124.587 122.820 -0.280 0.000 2.337 76 A HA 0.005 4.325 4.320 -0.000 0.000 0.227 76 A C 1.110 178.555 177.584 -0.232 0.000 1.259 76 A CA 0.197 52.096 52.037 -0.230 0.000 0.870 76 A CB -0.727 18.196 19.000 -0.128 0.000 0.927 76 A HN 0.582 nan 8.150 nan 0.000 0.497 77 D N -0.789 119.418 120.400 -0.321 0.000 2.339 77 D HA -0.027 4.613 4.640 -0.000 0.000 0.217 77 D C 1.190 177.227 176.300 -0.438 0.000 1.050 77 D CA 0.115 53.923 54.000 -0.319 0.000 0.856 77 D CB -0.238 40.367 40.800 -0.325 0.000 0.922 77 D HN 0.432 nan 8.370 nan 0.000 0.518 78 R N -0.273 119.953 120.500 -0.458 0.000 2.334 78 R HA 0.290 4.630 4.340 -0.000 0.000 0.216 78 R C 1.052 177.522 176.300 0.285 0.000 0.905 78 R CA 0.408 56.314 56.100 -0.323 0.000 1.064 78 R CB 0.433 30.497 30.300 -0.393 0.000 1.046 78 R HN 0.224 nan 8.270 nan 0.000 0.508 79 G N 0.982 109.878 108.800 0.161 0.000 2.147 79 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 79 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 79 G C -0.373 174.747 174.900 0.367 0.000 1.005 79 G CA -0.266 44.985 45.100 0.252 0.000 0.713 79 G HN 0.172 nan 8.290 nan 0.000 0.515 80 W N 0.269 121.604 121.300 0.059 0.000 2.137 80 W HA 0.561 5.221 4.660 0.000 0.000 0.344 80 W C 0.775 177.304 176.519 0.016 0.000 1.286 80 W CA -0.976 56.394 57.345 0.041 0.000 1.240 80 W CB 0.373 29.841 29.460 0.014 0.000 1.141 80 W HN 0.256 nan 8.180 nan 0.000 0.579 81 E N 3.086 123.399 120.200 0.188 0.000 2.257 81 E HA 0.194 4.544 4.350 -0.000 0.000 0.278 81 E C -2.109 174.544 176.600 0.089 0.000 1.049 81 E CA -1.676 54.780 56.400 0.094 0.000 0.876 81 E CB 0.215 29.932 29.700 0.029 0.000 1.035 81 E HN -0.067 nan 8.360 nan 0.000 0.419 82 P HA -0.014 nan 4.420 nan 0.000 0.261 82 P C -0.982 176.335 177.300 0.029 0.000 1.173 82 P CA 0.484 63.612 63.100 0.047 0.000 0.760 82 P CB 0.463 32.181 31.700 0.031 0.000 0.783 83 D N 3.201 123.614 120.400 0.021 0.000 2.619 83 D HA 0.181 4.821 4.640 -0.000 0.000 0.241 83 D C -1.340 174.961 176.300 0.002 0.000 1.087 83 D CA -1.872 52.132 54.000 0.007 0.000 0.851 83 D CB 2.094 42.891 40.800 -0.005 0.000 1.474 83 D HN 0.128 nan 8.370 nan 0.000 0.478 84 P HA -0.092 nan 4.420 nan 0.000 0.213 84 P C 0.202 177.502 177.300 -0.001 0.000 1.170 84 P CA 0.739 63.840 63.100 0.002 0.000 0.898 84 P CB 0.195 31.898 31.700 0.003 0.000 0.787 85 D N 0.449 120.850 120.400 0.001 0.000 2.383 85 D HA 0.350 4.990 4.640 -0.000 0.000 0.245 85 D C -0.116 176.178 176.300 -0.010 0.000 1.263 85 D CA -0.196 53.804 54.000 0.001 0.000 0.936 85 D CB -0.054 40.752 40.800 0.010 0.000 1.053 85 D HN 0.162 nan 8.370 nan 0.000 0.507 86 A N 4.586 127.397 122.820 -0.015 0.000 2.507 86 A HA 0.207 4.527 4.320 -0.000 0.000 0.235 86 A C 0.394 177.944 177.584 -0.057 0.000 1.070 86 A CA 0.033 52.050 52.037 -0.033 0.000 0.768 86 A CB 0.365 19.349 19.000 -0.026 0.000 1.011 86 A HN 0.644 nan 8.150 nan 0.000 0.502 87 R N 0.985 121.408 120.500 -0.128 0.000 2.215 87 R HA 0.458 4.798 4.340 -0.000 0.000 0.336 87 R C -1.291 174.927 176.300 -0.137 0.000 0.996 87 R CA -0.160 55.769 56.100 -0.286 0.000 0.847 87 R CB 0.716 30.561 30.300 -0.759 0.000 1.127 87 R HN 0.600 nan 8.270 nan 0.000 0.465 88 L N 2.294 123.550 121.223 0.055 0.000 2.295 88 L HA 0.742 5.082 4.340 -0.000 0.000 0.285 88 L C 0.658 177.693 176.870 0.275 0.000 1.035 88 L CA -0.516 54.395 54.840 0.119 0.000 0.806 88 L CB 1.838 43.946 42.059 0.082 0.000 1.214 88 L HN 0.778 nan 8.230 nan 0.000 0.426 89 G N 1.097 110.042 108.800 0.242 0.000 2.606 89 G HA2 0.591 4.551 3.960 -0.000 0.000 0.300 89 G HA3 0.591 4.551 3.960 -0.000 0.000 0.300 89 G C -1.056 173.952 174.900 0.181 0.000 1.360 89 G CA -0.176 45.084 45.100 0.266 0.000 0.783 89 G HN 0.730 nan 8.290 nan 0.000 0.484 93 A N 3.251 126.032 122.820 -0.064 0.000 1.883 93 A HA 0.396 4.716 4.320 -0.000 0.000 0.217 93 A C 0.995 178.518 177.584 -0.100 0.000 1.186 93 A CA 1.662 53.652 52.037 -0.078 0.000 0.624 93 A CB -0.232 18.733 19.000 -0.058 0.000 0.822 93 A HN 1.293 nan 8.150 nan 0.000 0.444 94 A N -1.710 121.061 122.820 -0.083 0.000 3.216 94 A HA 0.663 4.983 4.320 -0.000 0.000 0.321 94 A C 0.914 178.464 177.584 -0.058 0.000 1.042 94 A CA 0.524 52.511 52.037 -0.084 0.000 0.838 94 A CB -0.057 18.911 19.000 -0.053 0.000 1.136 94 A HN 0.966 nan 8.150 nan 0.000 0.483 95 A N 0.327 123.099 122.820 -0.080 0.000 2.015 95 A HA 0.160 4.480 4.320 -0.000 0.000 0.219 95 A C 2.023 179.676 177.584 0.114 0.000 1.163 95 A CA 1.986 54.029 52.037 0.010 0.000 0.646 95 A CB -0.443 18.585 19.000 0.048 0.000 0.806 95 A HN 1.188 nan 8.150 nan 0.000 0.448 96 G N -0.651 108.172 108.800 0.039 0.000 2.650 96 G HA2 0.109 4.069 3.960 -0.000 0.000 0.214 96 G HA3 0.109 4.069 3.960 -0.000 0.000 0.214 96 G C -0.208 174.822 174.900 0.216 0.000 1.136 96 G CA 0.418 45.660 45.100 0.235 0.000 0.789 96 G HN 0.469 nan 8.290 nan 0.000 0.536 97 D N -0.692 119.785 120.400 0.129 0.000 2.210 97 D HA 0.588 5.228 4.640 -0.000 0.000 0.249 97 D C -1.041 175.431 176.300 0.287 0.000 1.062 97 D CA -0.045 54.043 54.000 0.146 0.000 0.891 97 D CB 1.700 42.535 40.800 0.058 0.000 1.186 97 D HN -0.010 nan 8.370 nan 0.000 0.432 98 F N 1.272 121.296 119.950 0.124 0.000 2.669 98 F HA 0.154 4.681 4.527 -0.000 0.000 0.315 98 F C -1.619 174.303 175.800 0.204 0.000 1.109 98 F CA -1.139 56.941 58.000 0.133 0.000 1.028 98 F CB 1.651 40.751 39.000 0.167 0.000 1.287 98 F HN 0.116 nan 8.300 nan 0.000 0.452 99 D N 4.593 124.799 120.400 -0.324 0.000 2.517 99 D HA 0.417 5.057 4.640 -0.000 0.000 0.220 99 D C 0.891 176.768 176.300 -0.706 0.000 1.158 99 D CA 0.647 54.464 54.000 -0.304 0.000 0.992 99 D CB 1.141 41.933 40.800 -0.013 0.000 1.058 99 D HN 0.687 nan 8.370 nan 0.000 0.516 100 A N 2.580 125.015 122.820 -0.641 0.000 1.898 100 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 100 A C 2.064 179.521 177.584 -0.211 0.000 1.181 100 A CA 1.423 53.117 52.037 -0.573 0.000 0.620 100 A CB -0.529 18.318 19.000 -0.254 0.000 0.819 100 A HN 0.528 nan 8.150 nan 0.000 0.442 101 G N -1.775 106.935 108.800 -0.149 0.000 2.471 101 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.219 101 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.219 101 G C 1.334 176.102 174.900 -0.219 0.000 1.125 101 G CA 0.913 45.935 45.100 -0.129 0.000 0.775 101 G HN 0.478 nan 8.290 nan 0.000 0.548 102 F N 0.648 120.314 119.950 -0.472 0.000 2.234 102 F HA 0.137 4.664 4.527 -0.000 0.000 0.299 102 F C 1.374 176.641 175.800 -0.889 0.000 1.087 102 F CA 0.750 58.268 58.000 -0.803 0.000 1.340 102 F CB 0.101 38.508 39.000 -0.988 0.000 1.031 102 F HN 0.109 nan 8.300 nan 0.000 0.500 103 F N 0.196 120.087 119.950 -0.099 0.000 2.641 103 F HA 0.364 4.891 4.527 -0.000 0.000 0.302 103 F C 1.654 177.398 175.800 -0.093 0.000 1.098 103 F CA 0.293 58.250 58.000 -0.071 0.000 1.318 103 F CB -0.085 38.960 39.000 0.076 0.000 1.035 103 F HN 0.031 nan 8.300 nan 0.000 0.551 104 G N 1.422 110.198 108.800 -0.039 0.000 2.176 104 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.252 104 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.252 104 G C 0.063 174.980 174.900 0.029 0.000 1.024 104 G CA -0.040 45.041 45.100 -0.032 0.000 0.755 104 G HN 0.356 nan 8.290 nan 0.000 0.507 105 I N 1.695 122.288 120.570 0.039 0.000 2.359 105 I HA 0.409 4.579 4.170 -0.000 0.000 0.294 105 I C 1.214 177.298 176.117 -0.055 0.000 0.987 105 I CA -0.453 60.861 61.300 0.023 0.000 1.225 105 I CB 1.688 39.742 38.000 0.090 0.000 1.366 105 I HN 0.319 nan 8.210 nan 0.000 0.466 106 S N 6.933 122.577 115.700 -0.093 0.000 2.576 106 S HA 0.194 4.664 4.470 -0.000 0.000 0.272 106 S C -1.551 172.941 174.600 -0.180 0.000 1.352 106 S CA -0.886 57.248 58.200 -0.110 0.000 1.021 106 S CB 0.422 63.556 63.200 -0.109 0.000 0.887 106 S HN 0.512 nan 8.310 nan 0.000 0.542 107 P HA -0.121 nan 4.420 nan 0.000 0.218 107 P C 1.438 178.657 177.300 -0.135 0.000 1.149 107 P CA 0.978 64.015 63.100 -0.106 0.000 0.817 107 P CB 0.060 31.868 31.700 0.179 0.000 0.785 108 R N 0.408 120.839 120.500 -0.115 0.000 2.075 108 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 108 R C 2.474 178.590 176.300 -0.306 0.000 1.126 108 R CA 1.639 57.671 56.100 -0.114 0.000 0.963 108 R CB -0.308 29.967 30.300 -0.042 0.000 0.858 108 R HN 0.158 nan 8.270 nan 0.000 0.435 109 E N -0.257 119.574 120.200 -0.615 0.000 2.046 109 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 109 E C 1.705 178.069 176.600 -0.395 0.000 0.982 109 E CA 0.984 56.875 56.400 -0.848 0.000 0.800 109 E CB -0.111 29.010 29.700 -0.965 0.000 0.756 109 E HN 0.397 nan 8.360 nan 0.000 0.449 110 A N 0.921 123.523 122.820 -0.363 0.000 2.131 110 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 110 A C 2.066 179.447 177.584 -0.338 0.000 1.158 110 A CA 1.195 53.006 52.037 -0.377 0.000 0.665 110 A CB -0.509 18.105 19.000 -0.644 0.000 0.795 110 A HN 0.418 nan 8.150 nan 0.000 0.460 111 L N -1.465 119.638 121.223 -0.199 0.000 2.270 111 L HA 0.386 4.726 4.340 -0.000 0.000 0.210 111 L C 1.377 178.337 176.870 0.150 0.000 1.104 111 L CA 1.129 56.008 54.840 0.065 0.000 0.804 111 L CB -0.505 41.626 42.059 0.120 0.000 0.937 111 L HN 0.317 nan 8.230 nan 0.000 0.450 115 P HA -0.146 nan 4.420 nan 0.000 0.217 115 P C 1.131 178.275 177.300 -0.261 0.000 1.148 115 P CA 1.454 64.348 63.100 -0.343 0.000 0.828 115 P CB 0.322 31.959 31.700 -0.105 0.000 0.783 116 Q N -0.680 119.002 119.800 -0.197 0.000 2.124 116 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 116 Q C 2.324 178.205 176.000 -0.198 0.000 0.977 116 Q CA 1.352 57.067 55.803 -0.147 0.000 0.850 116 Q CB -0.491 28.199 28.738 -0.081 0.000 0.901 116 Q HN 0.430 nan 8.270 nan 0.000 0.429 117 Q N 0.213 119.865 119.800 -0.246 0.000 2.079 117 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 117 Q C 2.103 177.865 176.000 -0.398 0.000 0.974 117 Q CA 1.002 56.645 55.803 -0.266 0.000 0.840 117 Q CB 0.067 28.658 28.738 -0.246 0.000 0.898 117 Q HN 0.267 nan 8.270 nan 0.000 0.430 118 R N 0.346 120.489 120.500 -0.595 0.000 2.082 118 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 118 R C 1.199 177.152 176.300 -0.578 0.000 1.136 118 R CA 0.824 56.316 56.100 -1.012 0.000 0.935 118 R CB -0.609 28.891 30.300 -1.333 0.000 0.842 118 R HN 0.187 nan 8.270 nan 0.000 0.430 122 E N 1.420 121.514 120.200 -0.176 0.000 2.017 122 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 122 E C 2.000 178.625 176.600 0.042 0.000 0.997 122 E CA 2.098 58.375 56.400 -0.205 0.000 0.804 122 E CB -0.036 29.355 29.700 -0.514 0.000 0.757 122 E HN 0.622 nan 8.360 nan 0.000 0.448 123 I N -1.028 119.535 120.570 -0.012 0.000 2.454 123 I HA -0.164 4.006 4.170 -0.000 0.000 0.254 123 I C 2.164 178.342 176.117 0.102 0.000 1.156 123 I CA 0.998 62.322 61.300 0.041 0.000 1.433 123 I CB -0.136 37.837 38.000 -0.045 0.000 1.082 123 I HN -0.125 nan 8.210 nan 0.000 0.432 124 S N 0.727 116.490 115.700 0.105 0.000 2.368 124 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 124 S C 1.571 176.298 174.600 0.211 0.000 1.029 124 S CA 1.361 59.635 58.200 0.123 0.000 0.988 124 S CB -0.551 62.706 63.200 0.095 0.000 0.838 124 S HN 0.701 nan 8.310 nan 0.000 0.462 125 W N 2.667 124.086 121.300 0.199 0.000 2.333 125 W HA -0.173 4.487 4.660 -0.000 0.000 0.316 125 W C 1.827 178.497 176.519 0.252 0.000 1.215 125 W CA 1.729 59.257 57.345 0.305 0.000 1.278 125 W CB -0.395 29.380 29.460 0.525 0.000 1.154 125 W HN 0.460 nan 8.180 nan 0.000 0.486 126 E N 0.216 120.696 120.200 0.467 0.000 2.077 126 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 126 E C 2.344 179.039 176.600 0.158 0.000 0.989 126 E CA 1.293 57.895 56.400 0.336 0.000 0.800 126 E CB -0.591 29.298 29.700 0.315 0.000 0.746 126 E HN 0.206 nan 8.360 nan 0.000 0.452 127 A N 1.485 124.377 122.820 0.119 0.000 1.902 127 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 127 A C 2.228 179.830 177.584 0.030 0.000 1.181 127 A CA 1.015 53.093 52.037 0.069 0.000 0.623 127 A CB -0.597 18.436 19.000 0.056 0.000 0.818 127 A HN 0.126 nan 8.150 nan 0.000 0.443 128 L N -0.817 120.389 121.223 -0.029 0.000 2.056 128 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 128 L C 2.612 179.446 176.870 -0.061 0.000 1.078 128 L CA 1.468 56.245 54.840 -0.104 0.000 0.749 128 L CB -0.546 41.358 42.059 -0.258 0.000 0.901 128 L HN 0.479 nan 8.230 nan 0.000 0.433 129 E N -0.075 120.073 120.200 -0.086 0.000 2.110 129 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 129 E C 2.312 178.925 176.600 0.022 0.000 0.988 129 E CA 0.978 57.365 56.400 -0.022 0.000 0.804 129 E CB 0.005 29.741 29.700 0.060 0.000 0.745 129 E HN 0.434 nan 8.360 nan 0.000 0.458 130 R N 0.147 120.673 120.500 0.044 0.000 2.148 130 R HA 0.013 4.353 4.340 -0.000 0.000 0.223 130 R C 2.190 178.514 176.300 0.040 0.000 1.088 130 R CA 0.778 56.904 56.100 0.043 0.000 0.985 130 R CB -0.099 30.237 30.300 0.060 0.000 0.880 130 R HN 0.055 nan 8.270 nan 0.000 0.451 131 A N 0.371 123.232 122.820 0.068 0.000 2.172 131 A HA 0.070 4.390 4.320 -0.000 0.000 0.216 131 A C 1.461 179.072 177.584 0.044 0.000 1.154 131 A CA 1.212 53.308 52.037 0.099 0.000 0.701 131 A CB -0.208 18.908 19.000 0.194 0.000 0.789 131 A HN 0.476 nan 8.150 nan 0.000 0.465 132 G N -1.845 106.957 108.800 0.004 0.000 2.134 132 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.209 132 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.209 132 G C -0.100 174.676 174.900 -0.208 0.000 0.993 132 G CA 0.095 45.128 45.100 -0.113 0.000 0.669 132 G HN 0.719 nan 8.290 nan 0.000 0.519 133 H N 0.365 119.375 119.070 -0.100 0.000 2.463 133 H HA 0.385 4.941 4.556 0.000 0.000 0.332 133 H C -0.662 174.572 175.328 -0.157 0.000 1.127 133 H CA -0.507 55.469 56.048 -0.121 0.000 1.238 133 H CB 1.848 31.533 29.762 -0.129 0.000 1.478 133 H HN 0.201 nan 8.280 nan 0.000 0.499 134 D N 3.867 124.247 120.400 -0.034 0.000 2.363 134 D HA 0.026 4.666 4.640 -0.000 0.000 0.263 134 D C -1.766 174.459 176.300 -0.126 0.000 1.258 134 D CA -1.992 51.956 54.000 -0.086 0.000 0.907 134 D CB 1.115 41.859 40.800 -0.093 0.000 1.107 134 D HN 0.247 nan 8.370 nan 0.000 0.495 135 P HA -0.060 nan 4.420 nan 0.000 0.234 135 P C 1.230 178.392 177.300 -0.230 0.000 1.167 135 P CA 0.211 63.023 63.100 -0.479 0.000 0.763 135 P CB 0.375 31.291 31.700 -1.307 0.000 0.835 136 V N 0.144 120.019 119.914 -0.064 0.000 2.719 136 V HA -0.151 3.969 4.120 -0.000 0.000 0.252 136 V C 2.549 178.638 176.094 -0.007 0.000 1.065 136 V CA 2.036 64.362 62.300 0.043 0.000 1.086 136 V CB -1.469 30.367 31.823 0.021 0.000 0.700 136 V HN 0.290 nan 8.190 nan 0.000 0.467 137 S N 0.398 116.078 115.700 -0.033 0.000 2.419 137 S HA -0.105 4.365 4.470 -0.000 0.000 0.233 137 S C 1.712 176.310 174.600 -0.003 0.000 1.016 137 S CA 1.312 59.506 58.200 -0.011 0.000 0.974 137 S CB -0.529 62.672 63.200 0.002 0.000 0.786 137 S HN 0.566 nan 8.310 nan 0.000 0.492 138 L N 0.879 122.085 121.223 -0.028 0.000 2.591 138 L HA 0.223 4.564 4.340 -0.000 0.000 0.228 138 L C 0.836 177.696 176.870 -0.018 0.000 1.133 138 L CA -0.181 54.636 54.840 -0.039 0.000 0.880 138 L CB -0.210 41.780 42.059 -0.115 0.000 1.033 138 L HN 0.144 nan 8.230 nan 0.000 0.450 139 R N 0.506 121.008 120.500 0.002 0.000 2.484 139 R HA 0.195 4.535 4.340 -0.000 0.000 0.293 139 R C 1.198 177.505 176.300 0.012 0.000 1.023 139 R CA 0.742 56.851 56.100 0.015 0.000 1.037 139 R CB 0.082 30.397 30.300 0.025 0.000 0.951 139 R HN 0.287 nan 8.270 nan 0.000 0.418 140 G N 1.341 110.149 108.800 0.013 0.000 2.159 140 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.256 140 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.256 140 G C 0.777 175.684 174.900 0.011 0.000 0.977 140 G CA 0.551 45.660 45.100 0.014 0.000 0.652 140 G HN 0.675 nan 8.290 nan 0.000 0.531 141 S N -0.430 115.273 115.700 0.004 0.000 2.527 141 S HA 0.529 4.999 4.470 -0.000 0.000 0.222 141 S C 1.588 176.191 174.600 0.005 0.000 0.985 141 S CA 1.386 59.588 58.200 0.003 0.000 0.921 141 S CB 0.113 63.307 63.200 -0.009 0.000 0.772 141 S HN 2.367 nan 8.310 nan 0.000 0.529 142 A N 0.215 123.037 122.820 0.004 0.000 2.632 142 A HA -0.062 4.258 4.320 -0.000 0.000 0.294 142 A C 0.207 177.794 177.584 0.006 0.000 1.447 142 A CA 0.646 52.687 52.037 0.007 0.000 0.728 142 A CB -2.501 16.508 19.000 0.015 0.000 1.102 142 A HN 0.521 nan 8.150 nan 0.000 0.422 143 T N 0.794 115.343 114.554 -0.008 0.000 2.779 143 T HA 0.633 4.983 4.350 -0.000 0.000 0.280 143 T C 0.861 175.550 174.700 -0.019 0.000 0.987 143 T CA 0.195 62.289 62.100 -0.010 0.000 0.966 143 T CB 1.730 70.573 68.868 -0.041 0.000 0.933 143 T HN 1.508 nan 8.240 nan 0.000 0.442 144 G N 1.197 110.003 108.800 0.010 0.000 2.562 144 G HA2 0.552 4.512 3.960 -0.000 0.000 0.275 144 G HA3 0.552 4.512 3.960 -0.000 0.000 0.275 144 G C -0.969 173.833 174.900 -0.163 0.000 1.196 144 G CA -0.436 44.608 45.100 -0.092 0.000 0.908 144 G HN 0.654 nan 8.290 nan 0.000 0.524 145 V N 0.591 120.226 119.914 -0.465 0.000 2.524 145 V HA 0.432 4.552 4.120 -0.000 0.000 0.297 145 V C -1.348 174.420 176.094 -0.544 0.000 1.035 145 V CA -0.510 61.605 62.300 -0.309 0.000 0.867 145 V CB 1.273 32.991 31.823 -0.175 0.000 1.004 145 V HN 0.588 nan 8.190 nan 0.000 0.426 146 F N 2.150 122.104 119.950 0.007 0.000 2.500 146 F HA 0.633 5.160 4.527 -0.000 0.000 0.349 146 F C 0.408 176.218 175.800 0.015 0.000 1.127 146 F CA -0.425 57.582 58.000 0.012 0.000 0.998 146 F CB 2.271 41.279 39.000 0.014 0.000 1.237 146 F HN 0.317 nan 8.300 nan 0.000 0.439 147 T N 1.798 116.436 114.554 0.140 0.000 2.812 147 T HA 0.523 4.873 4.350 -0.000 0.000 0.282 147 T C 0.193 174.943 174.700 0.083 0.000 0.990 147 T CA -0.906 61.246 62.100 0.085 0.000 0.960 147 T CB 1.651 70.535 68.868 0.028 0.000 0.948 147 T HN 0.741 nan 8.240 nan 0.000 0.438 148 G N 1.849 110.698 108.800 0.082 0.000 2.356 148 G HA2 0.517 4.477 3.960 -0.000 0.000 0.300 148 G HA3 0.517 4.477 3.960 -0.000 0.000 0.300 148 G C -0.616 174.318 174.900 0.057 0.000 1.107 148 G CA -0.286 44.859 45.100 0.076 0.000 0.960 148 G HN 0.651 nan 8.290 nan 0.000 0.418 149 V N 3.183 123.126 119.914 0.049 0.000 2.443 149 V HA 0.501 4.621 4.120 -0.000 0.000 0.293 149 V C 1.117 177.237 176.094 0.043 0.000 1.021 149 V CA 0.117 62.439 62.300 0.037 0.000 0.848 149 V CB 1.259 33.093 31.823 0.019 0.000 0.998 149 V HN 0.782 nan 8.190 nan 0.000 0.424 150 G N 3.180 112.010 108.800 0.050 0.000 2.572 150 G HA2 0.081 4.041 3.960 -0.000 0.000 0.214 150 G HA3 0.081 4.041 3.960 -0.000 0.000 0.214 150 G C 0.549 175.476 174.900 0.046 0.000 1.246 150 G CA 0.874 46.006 45.100 0.053 0.000 0.835 150 G HN 0.602 nan 8.290 nan 0.000 0.551 151 T N -0.168 114.416 114.554 0.050 0.000 2.879 151 T HA 0.501 4.851 4.350 -0.000 0.000 0.290 151 T C -1.194 173.536 174.700 0.050 0.000 0.993 151 T CA -0.515 61.614 62.100 0.049 0.000 0.975 151 T CB 1.555 70.458 68.868 0.058 0.000 0.981 151 T HN 0.045 nan 8.240 nan 0.000 0.439 152 V N 6.231 126.169 119.914 0.040 0.000 2.383 152 V HA 0.410 4.530 4.120 -0.000 0.000 0.275 152 V C 0.303 176.429 176.094 0.053 0.000 1.036 152 V CA -0.499 61.827 62.300 0.044 0.000 0.889 152 V CB 1.383 33.222 31.823 0.028 0.000 0.985 152 V HN 0.986 nan 8.190 nan 0.000 0.459 153 D N 2.492 122.940 120.400 0.080 0.000 2.620 153 D HA -0.010 4.630 4.640 -0.000 0.000 0.260 153 D C 0.691 177.034 176.300 0.073 0.000 1.367 153 D CA -0.312 53.728 54.000 0.067 0.000 0.805 153 D CB 0.036 40.879 40.800 0.071 0.000 1.096 153 D HN 0.414 nan 8.370 nan 0.000 0.488 154 Y N 2.368 122.628 120.300 -0.068 0.000 2.144 154 Y HA 0.199 4.749 4.550 0.000 0.000 0.272 154 Y C 1.659 177.458 175.900 -0.168 0.000 1.092 154 Y CA 1.670 59.677 58.100 -0.155 0.000 1.080 154 Y CB -0.742 37.592 38.460 -0.210 0.000 1.003 154 Y HN 0.023 nan 8.280 nan 0.000 0.477 155 G N 0.733 109.300 108.800 -0.389 0.000 2.529 155 G HA2 0.307 4.267 3.960 -0.000 0.000 0.277 155 G HA3 0.307 4.267 3.960 -0.000 0.000 0.277 155 G C -2.459 172.218 174.900 -0.371 0.000 1.383 155 G CA -0.630 44.115 45.100 -0.593 0.000 1.050 155 G HN 0.309 nan 8.290 nan 0.000 0.526 156 P HA 0.341 nan 4.420 nan 0.000 0.284 156 P C -0.401 176.841 177.300 -0.097 0.000 1.292 156 P CA -0.833 62.178 63.100 -0.149 0.000 0.800 156 P CB 0.903 32.532 31.700 -0.119 0.000 1.188 157 R N 0.398 120.860 120.500 -0.065 0.000 2.594 157 R HA 0.138 4.478 4.340 -0.000 0.000 0.272 157 R C -1.574 174.705 176.300 -0.036 0.000 1.074 157 R CA -1.177 54.897 56.100 -0.044 0.000 1.105 157 R CB -0.708 29.571 30.300 -0.034 0.000 1.008 157 R HN 0.360 nan 8.270 nan 0.000 0.472 158 P HA -0.161 nan 4.420 nan 0.000 0.220 158 P C -0.159 177.129 177.300 -0.020 0.000 1.144 158 P CA 1.318 64.405 63.100 -0.021 0.000 0.800 158 P CB 0.239 31.927 31.700 -0.019 0.000 0.772 159 D N -0.835 119.552 120.400 -0.022 0.000 2.194 159 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 159 D C 1.494 177.782 176.300 -0.019 0.000 0.964 159 D CA 0.882 54.871 54.000 -0.019 0.000 0.846 159 D CB -0.369 40.420 40.800 -0.018 0.000 0.962 159 D HN 0.437 nan 8.370 nan 0.000 0.490 160 E N 0.168 120.354 120.200 -0.024 0.000 2.624 160 E HA 0.349 4.699 4.350 -0.000 0.000 0.210 160 E C -0.257 176.328 176.600 -0.026 0.000 0.997 160 E CA -0.409 55.978 56.400 -0.023 0.000 0.999 160 E CB 0.535 30.219 29.700 -0.026 0.000 1.040 160 E HN 0.040 nan 8.360 nan 0.000 0.469 161 A N 2.562 125.367 122.820 -0.025 0.000 2.331 161 A HA 0.435 4.755 4.320 -0.000 0.000 0.283 161 A C -2.308 175.272 177.584 -0.007 0.000 1.142 161 A CA -1.507 50.515 52.037 -0.024 0.000 0.812 161 A CB -0.006 18.981 19.000 -0.021 0.000 1.074 161 A HN 0.032 nan 8.150 nan 0.000 0.497 162 P HA -0.043 nan 4.420 nan 0.000 0.256 162 P C 0.065 177.379 177.300 0.024 0.000 1.173 162 P CA 0.374 63.483 63.100 0.014 0.000 0.768 162 P CB 0.458 32.171 31.700 0.022 0.000 0.758 163 D N 2.870 123.281 120.400 0.020 0.000 2.392 163 D HA -0.163 4.477 4.640 -0.000 0.000 0.228 163 D C 0.907 177.226 176.300 0.032 0.000 1.003 163 D CA 0.636 54.648 54.000 0.019 0.000 0.917 163 D CB -0.096 40.710 40.800 0.010 0.000 0.890 163 D HN 0.347 nan 8.370 nan 0.000 0.532 164 E N 0.208 120.435 120.200 0.046 0.000 2.152 164 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 164 E C 1.519 178.184 176.600 0.110 0.000 0.983 164 E CA 0.326 56.767 56.400 0.067 0.000 0.818 164 E CB 0.365 30.104 29.700 0.065 0.000 0.758 164 E HN 0.180 nan 8.360 nan 0.000 0.467 165 V N 0.988 120.966 119.914 0.108 0.000 3.621 165 V HA 0.059 4.179 4.120 -0.000 0.000 0.285 165 V C 1.872 178.065 176.094 0.165 0.000 1.346 165 V CA 0.111 62.513 62.300 0.170 0.000 1.104 165 V CB 0.011 31.899 31.823 0.109 0.000 0.913 165 V HN 0.174 nan 8.190 nan 0.000 0.432 166 L N 0.286 121.552 121.223 0.072 0.000 2.141 166 L HA -0.012 4.328 4.340 -0.000 0.000 0.209 166 L C 2.278 179.118 176.870 -0.051 0.000 1.094 166 L CA 1.686 56.533 54.840 0.012 0.000 0.763 166 L CB -0.452 41.602 42.059 -0.008 0.000 0.908 166 L HN 0.494 nan 8.230 nan 0.000 0.437 167 G N -2.024 106.685 108.800 -0.153 0.000 2.708 167 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.210 167 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.210 167 G C 0.538 175.112 174.900 -0.544 0.000 1.141 167 G CA 0.300 45.168 45.100 -0.387 0.000 0.788 167 G HN 0.443 nan 8.290 nan 0.000 0.531 168 Y N -1.803 118.490 120.300 -0.012 0.000 2.610 168 Y HA 0.223 4.773 4.550 0.000 0.000 0.254 168 Y C 1.980 177.873 175.900 -0.012 0.000 1.110 168 Y CA -0.579 57.513 58.100 -0.014 0.000 1.238 168 Y CB 0.512 38.967 38.460 -0.008 0.000 1.322 168 Y HN 0.022 nan 8.280 nan 0.000 0.547 169 V N -0.473 119.504 119.914 0.105 0.000 2.453 169 V HA -0.136 3.984 4.120 -0.000 0.000 0.247 169 V C 2.297 178.417 176.094 0.044 0.000 1.048 169 V CA 2.279 64.621 62.300 0.069 0.000 1.049 169 V CB -0.900 30.939 31.823 0.027 0.000 0.672 169 V HN 0.524 nan 8.190 nan 0.000 0.457 170 G N -1.237 107.576 108.800 0.022 0.000 2.395 170 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.214 170 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.214 170 G C 1.734 176.640 174.900 0.009 0.000 1.177 170 G CA 1.225 46.329 45.100 0.006 0.000 0.794 170 G HN 0.382 nan 8.290 nan 0.000 0.532 171 T N 0.563 115.126 114.554 0.016 0.000 2.881 171 T HA 0.011 4.361 4.350 -0.000 0.000 0.270 171 T C 2.248 176.957 174.700 0.014 0.000 1.068 171 T CA 1.761 63.869 62.100 0.012 0.000 1.131 171 T CB -0.370 68.512 68.868 0.024 0.000 0.871 171 T HN 0.292 nan 8.240 nan 0.000 0.479 172 G N -0.146 108.675 108.800 0.036 0.000 2.880 172 G HA2 0.020 3.980 3.960 -0.000 0.000 0.209 172 G HA3 0.020 3.980 3.960 -0.000 0.000 0.209 172 G C 1.373 176.274 174.900 0.002 0.000 1.157 172 G CA 1.070 46.175 45.100 0.009 0.000 0.779 172 G HN 0.616 nan 8.290 nan 0.000 0.539 173 T N -2.992 111.572 114.554 0.017 0.000 3.043 173 T HA 0.582 4.932 4.350 -0.000 0.000 0.272 173 T C 1.058 175.758 174.700 -0.000 0.000 0.990 173 T CA 0.379 62.490 62.100 0.018 0.000 0.897 173 T CB 0.635 69.525 68.868 0.037 0.000 1.111 173 T HN 0.287 nan 8.240 nan 0.000 0.529 174 A N 1.824 124.639 122.820 -0.008 0.000 2.520 174 A HA 0.543 4.863 4.320 -0.000 0.000 0.245 174 A C 1.754 179.326 177.584 -0.019 0.000 1.072 174 A CA 0.250 52.279 52.037 -0.013 0.000 0.761 174 A CB 0.307 19.296 19.000 -0.018 0.000 1.004 174 A HN 0.387 nan 8.150 nan 0.000 0.499 175 S N 2.345 118.037 115.700 -0.013 0.000 2.383 175 S HA -0.160 4.310 4.470 -0.000 0.000 0.227 175 S C 2.039 176.629 174.600 -0.018 0.000 1.026 175 S CA 1.913 60.105 58.200 -0.013 0.000 0.981 175 S CB -0.628 62.571 63.200 -0.000 0.000 0.818 175 S HN 1.291 nan 8.310 nan 0.000 0.472 176 S N 0.969 116.658 115.700 -0.017 0.000 2.400 176 S HA -0.063 4.407 4.470 -0.000 0.000 0.232 176 S C 1.751 176.332 174.600 -0.031 0.000 1.025 176 S CA 1.331 59.518 58.200 -0.021 0.000 0.993 176 S CB -0.912 62.276 63.200 -0.021 0.000 0.808 176 S HN 0.401 nan 8.310 nan 0.000 0.478 177 V N 2.080 121.973 119.914 -0.034 0.000 2.719 177 V HA 0.042 4.162 4.120 -0.000 0.000 0.252 177 V C 2.925 178.990 176.094 -0.049 0.000 1.065 177 V CA 1.029 63.305 62.300 -0.040 0.000 1.086 177 V CB -1.272 30.527 31.823 -0.041 0.000 0.700 177 V HN 0.626 nan 8.190 nan 0.000 0.467 178 A N -0.238 122.549 122.820 -0.056 0.000 2.032 178 A HA -0.234 4.086 4.320 -0.000 0.000 0.221 178 A C 2.434 179.985 177.584 -0.056 0.000 1.165 178 A CA 2.505 54.502 52.037 -0.068 0.000 0.645 178 A CB -0.396 18.568 19.000 -0.059 0.000 0.807 178 A HN 0.540 nan 8.150 nan 0.000 0.453 179 S N -1.145 114.526 115.700 -0.048 0.000 2.398 179 S HA 0.144 4.614 4.470 -0.000 0.000 0.220 179 S C 2.139 176.712 174.600 -0.045 0.000 1.046 179 S CA 0.579 58.745 58.200 -0.057 0.000 0.953 179 S CB -0.672 62.482 63.200 -0.076 0.000 0.856 179 S HN 0.707 nan 8.310 nan 0.000 0.506 180 G N 1.979 110.758 108.800 -0.034 0.000 2.459 180 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 180 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 180 G C 1.348 176.274 174.900 0.043 0.000 1.183 180 G CA 0.813 45.908 45.100 -0.008 0.000 0.776 180 G HN 0.370 nan 8.290 nan 0.000 0.552 181 R N -0.227 120.291 120.500 0.030 0.000 2.117 181 R HA -0.104 4.236 4.340 -0.000 0.000 0.243 181 R C 2.678 179.037 176.300 0.099 0.000 1.143 181 R CA 1.589 57.740 56.100 0.085 0.000 0.968 181 R CB -0.389 29.917 30.300 0.010 0.000 0.863 181 R HN 0.309 nan 8.270 nan 0.000 0.444 182 V N 0.526 120.458 119.914 0.029 0.000 2.237 182 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 182 V C 2.430 178.570 176.094 0.077 0.000 1.046 182 V CA 2.037 64.356 62.300 0.033 0.000 1.007 182 V CB -0.796 31.026 31.823 -0.001 0.000 0.638 182 V HN 0.540 nan 8.190 nan 0.000 0.445 183 A N -1.211 121.646 122.820 0.060 0.000 2.019 183 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 183 A C 2.130 179.789 177.584 0.125 0.000 1.164 183 A CA 2.063 54.138 52.037 0.064 0.000 0.644 183 A CB -0.696 18.320 19.000 0.026 0.000 0.805 183 A HN 0.670 nan 8.150 nan 0.000 0.449 184 Y N 0.313 120.630 120.300 0.029 0.000 2.092 184 Y HA -0.263 4.287 4.550 0.000 0.000 0.282 184 Y C 2.640 178.591 175.900 0.085 0.000 1.126 184 Y CA 1.423 59.550 58.100 0.044 0.000 1.111 184 Y CB -1.129 37.351 38.460 0.033 0.000 0.987 184 Y HN 0.367 nan 8.280 nan 0.000 0.489 185 C N 0.965 120.206 119.300 -0.097 0.000 2.393 185 C HA -0.224 4.236 4.460 -0.000 0.000 0.276 185 C C 2.810 177.841 174.990 0.068 0.000 1.215 185 C CA 1.487 60.463 59.018 -0.070 0.000 1.743 185 C CB -1.629 26.230 27.740 0.198 0.000 2.044 185 C HN 0.607 nan 8.230 nan 0.000 0.464 186 L N 0.646 121.965 121.223 0.160 0.000 2.552 186 L HA 0.142 4.482 4.340 -0.000 0.000 0.227 186 L C 1.829 178.750 176.870 0.084 0.000 1.146 186 L CA 1.082 56.038 54.840 0.193 0.000 0.858 186 L CB -1.235 40.933 42.059 0.181 0.000 0.969 186 L HN 0.634 nan 8.230 nan 0.000 0.451 187 G N 1.310 110.131 108.800 0.036 0.000 2.225 187 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.264 187 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.264 187 G C 0.068 174.986 174.900 0.030 0.000 1.060 187 G CA -0.114 44.999 45.100 0.022 0.000 0.833 187 G HN 0.260 nan 8.290 nan 0.000 0.498 188 L N -0.859 120.383 121.223 0.032 0.000 2.371 188 L HA 0.473 4.813 4.340 -0.000 0.000 0.272 188 L C 1.326 178.203 176.870 0.012 0.000 1.124 188 L CA -0.353 54.494 54.840 0.012 0.000 0.816 188 L CB 1.043 43.101 42.059 -0.002 0.000 1.129 188 L HN 0.249 nan 8.230 nan 0.000 0.448 189 E N 1.168 121.369 120.200 0.002 0.000 2.514 189 E HA 0.128 4.478 4.350 -0.000 0.000 0.215 189 E C 0.853 177.448 176.600 -0.007 0.000 0.946 189 E CA -0.205 56.197 56.400 0.004 0.000 1.038 189 E CB 0.981 30.688 29.700 0.012 0.000 1.069 189 E HN 0.835 nan 8.360 nan 0.000 0.503 190 G N 2.788 111.578 108.800 -0.016 0.000 2.653 190 G HA2 0.165 4.125 3.960 -0.000 0.000 0.265 190 G HA3 0.165 4.125 3.960 -0.000 0.000 0.265 190 G C -2.318 172.541 174.900 -0.069 0.000 1.237 190 G CA -0.851 44.236 45.100 -0.022 0.000 0.946 190 G HN -0.098 nan 8.290 nan 0.000 0.522 191 P HA 0.394 nan 4.420 nan 0.000 0.271 191 P C -0.427 176.658 177.300 -0.358 0.000 1.220 191 P CA 0.068 63.080 63.100 -0.147 0.000 0.768 191 P CB 1.359 33.025 31.700 -0.056 0.000 0.848 195 V N 1.774 121.730 119.914 0.071 0.000 2.709 195 V HA 0.769 4.889 4.120 -0.000 0.000 0.308 195 V C -1.253 174.881 176.094 0.067 0.000 1.062 195 V CA -0.659 61.690 62.300 0.081 0.000 0.901 195 V CB 2.212 34.102 31.823 0.111 0.000 1.003 195 V HN 0.958 nan 8.190 nan 0.000 0.425 196 D N 1.787 122.223 120.400 0.059 0.000 2.620 196 D HA 0.573 5.213 4.640 -0.000 0.000 0.252 196 D C -0.099 176.234 176.300 0.055 0.000 1.207 196 D CA -0.135 53.898 54.000 0.055 0.000 0.884 196 D CB 2.188 43.014 40.800 0.044 0.000 1.262 196 D HN 0.507 nan 8.370 nan 0.000 0.552 197 T N 1.989 116.579 114.554 0.060 0.000 3.460 197 T HA 0.587 4.937 4.350 -0.000 0.000 0.304 197 T C 0.530 175.270 174.700 0.065 0.000 0.991 197 T CA 0.379 62.514 62.100 0.059 0.000 0.975 197 T CB 0.098 69.003 68.868 0.061 0.000 1.196 197 T HN 0.713 nan 8.240 nan 0.000 0.490 198 A N 0.652 123.512 122.820 0.066 0.000 5.479 198 A HA -0.306 4.014 4.320 -0.000 0.000 0.301 198 A C 2.001 179.643 177.584 0.097 0.000 1.961 198 A CA 1.268 53.350 52.037 0.076 0.000 0.716 198 A CB -1.909 17.136 19.000 0.075 0.000 1.266 198 A HN 0.611 nan 8.150 nan 0.000 0.372 199 C N 0.367 119.744 119.300 0.128 0.000 2.410 199 C HA 0.049 4.509 4.460 -0.000 0.000 0.281 199 C C 2.948 178.031 174.990 0.155 0.000 1.318 199 C CA 1.835 60.972 59.018 0.199 0.000 1.776 199 C CB -1.785 26.165 27.740 0.350 0.000 1.942 199 C HN 1.286 nan 8.230 nan 0.000 0.508 200 S N -0.029 115.730 115.700 0.098 0.000 2.575 200 S HA 0.012 4.482 4.470 -0.000 0.000 0.215 200 S C 1.455 176.097 174.600 0.071 0.000 0.966 200 S CA 0.688 58.926 58.200 0.063 0.000 0.911 200 S CB -0.352 62.870 63.200 0.037 0.000 0.780 200 S HN 0.520 nan 8.310 nan 0.000 0.514 201 S N 2.436 118.184 115.700 0.081 0.000 2.408 201 S HA -0.207 4.263 4.470 -0.000 0.000 0.241 201 S C 2.175 176.826 174.600 0.085 0.000 1.080 201 S CA 1.834 60.083 58.200 0.081 0.000 1.109 201 S CB -1.396 61.852 63.200 0.080 0.000 0.966 201 S HN 0.805 nan 8.310 nan 0.000 0.449 202 G N 1.611 110.465 108.800 0.090 0.000 2.719 202 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 202 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 202 G C 1.244 176.192 174.900 0.081 0.000 1.234 202 G CA 1.414 46.568 45.100 0.091 0.000 0.788 202 G HN 0.500 nan 8.290 nan 0.000 0.619 203 L N 0.280 121.542 121.223 0.066 0.000 2.240 203 L HA -0.022 4.318 4.340 -0.000 0.000 0.211 203 L C 3.180 180.094 176.870 0.074 0.000 1.106 203 L CA 1.296 56.170 54.840 0.057 0.000 0.793 203 L CB -0.834 41.241 42.059 0.027 0.000 0.927 203 L HN 0.239 nan 8.230 nan 0.000 0.446 204 T N 0.444 115.043 114.554 0.074 0.000 2.720 204 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 204 T C 2.082 176.849 174.700 0.111 0.000 1.037 204 T CA 1.444 63.601 62.100 0.095 0.000 1.144 204 T CB -0.184 68.734 68.868 0.084 0.000 0.864 204 T HN 0.457 nan 8.240 nan 0.000 0.444 205 A N 1.168 124.046 122.820 0.097 0.000 1.877 205 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 205 A C 2.301 179.891 177.584 0.011 0.000 1.186 205 A CA 1.319 53.416 52.037 0.100 0.000 0.620 205 A CB -0.965 18.120 19.000 0.142 0.000 0.822 205 A HN 0.464 nan 8.150 nan 0.000 0.443 206 L N -1.103 120.142 121.223 0.036 0.000 2.043 206 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 206 L C 2.586 179.436 176.870 -0.034 0.000 1.075 206 L CA 2.629 57.471 54.840 0.004 0.000 0.752 206 L CB -0.437 41.648 42.059 0.044 0.000 0.891 206 L HN 0.695 nan 8.230 nan 0.000 0.432 207 H N -0.251 118.772 119.070 -0.078 0.000 2.290 207 H HA -0.206 4.350 4.556 -0.000 0.000 0.298 207 H C 1.986 177.216 175.328 -0.162 0.000 1.087 207 H CA 2.422 58.420 56.048 -0.084 0.000 1.291 207 H CB -0.337 29.402 29.762 -0.038 0.000 1.369 207 H HN 0.364 nan 8.280 nan 0.000 0.492 208 L N 0.117 121.157 121.223 -0.305 0.000 2.275 208 L HA 0.048 4.388 4.340 -0.000 0.000 0.215 208 L C 1.716 178.068 176.870 -0.863 0.000 1.119 208 L CA 0.301 54.842 54.840 -0.499 0.000 0.790 208 L CB -0.527 41.345 42.059 -0.311 0.000 0.919 208 L HN 0.343 nan 8.230 nan 0.000 0.443 212 S N 0.624 116.202 115.700 -0.204 0.000 2.402 212 S HA 0.057 4.527 4.470 -0.000 0.000 0.229 212 S C 1.886 176.470 174.600 -0.027 0.000 1.021 212 S CA 0.903 59.058 58.200 -0.075 0.000 0.974 212 S CB 0.033 63.227 63.200 -0.010 0.000 0.800 212 S HN 0.161 nan 8.310 nan 0.000 0.484 213 L N 0.087 121.276 121.223 -0.055 0.000 2.307 213 L HA 0.181 4.521 4.340 -0.000 0.000 0.211 213 L C 2.535 179.385 176.870 -0.034 0.000 1.099 213 L CA 0.581 55.407 54.840 -0.023 0.000 0.816 213 L CB -0.221 41.824 42.059 -0.023 0.000 0.952 213 L HN 0.124 nan 8.230 nan 0.000 0.455 214 R N -0.411 120.054 120.500 -0.059 0.000 2.193 214 R HA -0.004 4.336 4.340 -0.000 0.000 0.213 214 R C 2.214 178.488 176.300 -0.044 0.000 1.055 214 R CA 0.616 56.679 56.100 -0.062 0.000 0.995 214 R CB -0.006 30.247 30.300 -0.079 0.000 0.893 214 R HN 0.229 nan 8.270 nan 0.000 0.459 215 R N -0.029 120.450 120.500 -0.034 0.000 2.173 215 R HA -0.023 4.317 4.340 -0.000 0.000 0.208 215 R C -0.212 176.087 176.300 -0.001 0.000 1.035 215 R CA 0.572 56.662 56.100 -0.017 0.000 1.004 215 R CB 0.461 30.753 30.300 -0.014 0.000 0.917 215 R HN 0.026 nan 8.270 nan 0.000 0.462 216 D N -0.855 119.547 120.400 0.004 0.000 3.108 216 D HA -0.121 4.519 4.640 -0.000 0.000 0.214 216 D C 0.193 176.510 176.300 0.028 0.000 1.098 216 D CA 0.610 54.620 54.000 0.016 0.000 0.901 216 D CB -1.140 39.669 40.800 0.015 0.000 1.091 216 D HN 0.325 nan 8.370 nan 0.000 0.435 217 E N -0.749 119.474 120.200 0.038 0.000 2.265 217 E HA -0.056 4.294 4.350 -0.000 0.000 0.196 217 E C 0.987 177.625 176.600 0.063 0.000 0.996 217 E CA 1.485 57.920 56.400 0.058 0.000 0.832 217 E CB 0.100 29.857 29.700 0.094 0.000 0.756 217 E HN 0.672 nan 8.360 nan 0.000 0.491 218 C N -4.601 114.737 119.300 0.062 0.000 3.306 218 C HA 0.601 5.061 4.460 -0.000 0.000 0.335 218 C C 1.262 176.279 174.990 0.045 0.000 1.382 218 C CA -0.567 58.485 59.018 0.056 0.000 1.254 218 C CB 0.935 28.721 27.740 0.076 0.000 1.555 218 C HN 0.141 nan 8.230 nan 0.000 0.463 219 G N -0.679 108.144 108.800 0.038 0.000 2.796 219 G HA2 0.457 4.417 3.960 -0.000 0.000 0.210 219 G HA3 0.457 4.417 3.960 -0.000 0.000 0.210 219 G C -0.292 174.630 174.900 0.037 0.000 1.146 219 G CA 0.652 45.773 45.100 0.035 0.000 0.779 219 G HN 0.790 nan 8.290 nan 0.000 0.535 220 L N -0.292 120.952 121.223 0.036 0.000 2.424 220 L HA 0.848 5.188 4.340 -0.000 0.000 0.258 220 L C -1.217 175.683 176.870 0.050 0.000 0.995 220 L CA -0.767 54.088 54.840 0.026 0.000 0.821 220 L CB 2.269 44.316 42.059 -0.020 0.000 1.383 220 L HN 0.143 nan 8.230 nan 0.000 0.410 221 A N 3.485 126.342 122.820 0.061 0.000 2.589 221 A HA 0.770 5.090 4.320 -0.000 0.000 0.296 221 A C -2.109 175.537 177.584 0.103 0.000 1.062 221 A CA -0.445 51.668 52.037 0.127 0.000 0.686 221 A CB 1.416 20.552 19.000 0.227 0.000 1.282 221 A HN 0.582 nan 8.150 nan 0.000 0.404 222 L N 1.791 123.087 121.223 0.121 0.000 2.295 222 L HA 0.660 5.000 4.340 -0.000 0.000 0.281 222 L C 0.347 177.305 176.870 0.147 0.000 1.018 222 L CA -0.282 54.612 54.840 0.090 0.000 0.841 222 L CB 1.628 43.711 42.059 0.040 0.000 1.218 222 L HN 0.851 nan 8.230 nan 0.000 0.424 223 A N 2.744 125.645 122.820 0.135 0.000 2.303 223 A HA 0.930 5.250 4.320 -0.000 0.000 0.320 223 A C 0.110 177.755 177.584 0.102 0.000 1.192 223 A CA -0.061 52.066 52.037 0.149 0.000 0.821 223 A CB 1.208 20.273 19.000 0.107 0.000 1.188 223 A HN 0.735 nan 8.150 nan 0.000 0.492 224 G N 0.106 108.966 108.800 0.099 0.000 2.634 224 G HA2 0.772 4.732 3.960 -0.000 0.000 0.309 224 G HA3 0.772 4.732 3.960 -0.000 0.000 0.309 224 G C -0.479 174.462 174.900 0.069 0.000 1.299 224 G CA -0.044 45.099 45.100 0.071 0.000 0.798 224 G HN 1.597 nan 8.290 nan 0.000 0.490 225 G N -1.569 107.261 108.800 0.051 0.000 2.742 225 G HA2 0.688 4.648 3.960 -0.000 0.000 0.296 225 G HA3 0.688 4.648 3.960 -0.000 0.000 0.296 225 G C -1.589 173.325 174.900 0.025 0.000 1.436 225 G CA -0.182 44.950 45.100 0.054 0.000 0.928 225 G HN 1.371 nan 8.290 nan 0.000 0.520 226 V N -0.030 119.897 119.914 0.022 0.000 2.709 226 V HA 0.853 4.973 4.120 -0.000 0.000 0.308 226 V C -0.296 175.820 176.094 0.037 0.000 1.062 226 V CA -0.868 61.434 62.300 0.003 0.000 0.901 226 V CB 1.880 33.686 31.823 -0.028 0.000 1.003 226 V HN 0.812 nan 8.190 nan 0.000 0.425 227 T N 3.075 117.661 114.554 0.052 0.000 2.937 227 T HA 0.694 5.044 4.350 -0.000 0.000 0.297 227 T C -0.462 174.287 174.700 0.082 0.000 0.991 227 T CA -0.325 61.819 62.100 0.072 0.000 0.990 227 T CB 1.845 70.769 68.868 0.094 0.000 0.991 227 T HN 0.478 nan 8.240 nan 0.000 0.440 231 S N 1.280 117.215 115.700 0.391 0.000 2.588 231 S HA 0.659 5.129 4.470 -0.000 0.000 0.275 231 S C -2.916 171.440 174.600 -0.406 0.000 1.130 231 S CA -1.135 57.054 58.200 -0.019 0.000 0.855 231 S CB 1.933 65.103 63.200 -0.050 0.000 1.116 231 S HN -0.048 nan 8.310 nan 0.000 0.472 232 P HA 0.153 nan 4.420 nan 0.000 0.242 232 P C 1.565 178.745 177.300 -0.200 0.000 1.197 232 P CA 0.649 63.214 63.100 -0.892 0.000 0.765 232 P CB -0.730 30.335 31.700 -1.059 0.000 0.936 233 G N 1.817 110.527 108.800 -0.150 0.000 2.606 233 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.221 233 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.221 233 G C 1.701 176.620 174.900 0.032 0.000 1.152 233 G CA 1.232 46.305 45.100 -0.044 0.000 0.765 233 G HN 0.396 nan 8.290 nan 0.000 0.595 234 A N -0.009 122.859 122.820 0.080 0.000 1.930 234 A HA 0.207 4.527 4.320 -0.000 0.000 0.217 234 A C 2.190 179.868 177.584 0.157 0.000 1.175 234 A CA 1.418 53.544 52.037 0.149 0.000 0.627 234 A CB -0.471 18.606 19.000 0.128 0.000 0.815 234 A HN 0.302 nan 8.150 nan 0.000 0.443 235 F N 0.929 120.930 119.950 0.085 0.000 2.095 235 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 235 F C 2.808 178.639 175.800 0.051 0.000 1.104 235 F CA 2.050 60.087 58.000 0.062 0.000 1.232 235 F CB -0.994 38.009 39.000 0.004 0.000 0.987 235 F HN 0.160 nan 8.300 nan 0.000 0.475 236 T N -0.467 114.194 114.554 0.178 0.000 2.622 236 T HA -0.253 4.097 4.350 -0.000 0.000 0.266 236 T C 2.255 176.984 174.700 0.048 0.000 1.047 236 T CA 2.064 64.211 62.100 0.078 0.000 1.159 236 T CB -0.907 67.968 68.868 0.012 0.000 0.863 236 T HN 0.450 nan 8.240 nan 0.000 0.422 237 E N 0.551 120.755 120.200 0.007 0.000 2.106 237 E HA -0.045 4.305 4.350 -0.000 0.000 0.192 237 E C 1.725 178.238 176.600 -0.145 0.000 0.984 237 E CA 1.065 57.405 56.400 -0.101 0.000 0.806 237 E CB -1.115 28.468 29.700 -0.195 0.000 0.750 237 E HN 0.662 nan 8.360 nan 0.000 0.458 238 F N 0.055 120.003 119.950 -0.003 0.000 2.615 238 F HA 0.214 4.741 4.527 0.000 0.000 0.297 238 F C 2.409 178.195 175.800 -0.023 0.000 1.124 238 F CA 0.543 58.537 58.000 -0.011 0.000 1.451 238 F CB 0.336 39.300 39.000 -0.061 0.000 1.103 238 F HN 0.031 nan 8.300 nan 0.000 0.569 239 R N -0.982 119.613 120.500 0.158 0.000 2.307 239 R HA 0.012 4.352 4.340 -0.000 0.000 0.199 239 R C 1.991 178.328 176.300 0.062 0.000 1.000 239 R CA 0.569 56.731 56.100 0.103 0.000 1.023 239 R CB -0.117 30.247 30.300 0.106 0.000 0.908 239 R HN 0.143 nan 8.270 nan 0.000 0.473 240 S N 0.758 116.482 115.700 0.041 0.000 2.315 240 S HA -0.031 4.439 4.470 -0.000 0.000 0.211 240 S C 0.617 175.230 174.600 0.023 0.000 1.029 240 S CA 0.515 58.724 58.200 0.015 0.000 0.956 240 S CB 0.096 63.286 63.200 -0.016 0.000 0.918 240 S HN 0.279 nan 8.310 nan 0.000 0.470 241 Q N 0.359 120.170 119.800 0.018 0.000 2.700 241 Q HA 0.290 4.630 4.340 -0.000 0.000 0.232 241 Q C 1.396 177.450 176.000 0.091 0.000 1.110 241 Q CA 0.169 56.002 55.803 0.050 0.000 1.026 241 Q CB -0.040 28.730 28.738 0.054 0.000 1.311 241 Q HN 0.435 nan 8.270 nan 0.000 0.583 242 G N -0.578 108.283 108.800 0.101 0.000 2.679 242 G HA2 0.208 4.168 3.960 -0.000 0.000 0.185 242 G HA3 0.208 4.168 3.960 -0.000 0.000 0.185 242 G C 0.821 175.794 174.900 0.121 0.000 1.656 242 G CA 0.488 45.643 45.100 0.092 0.000 0.892 242 G HN 0.970 nan 8.290 nan 0.000 0.389 243 G N -0.522 108.356 108.800 0.130 0.000 4.655 243 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 243 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 243 G C 0.578 175.347 174.900 -0.218 0.000 1.403 243 G CA 0.433 45.613 45.100 0.134 0.000 0.931 243 G HN 0.734 nan 8.290 nan 0.000 0.654 244 L N 2.074 123.089 121.223 -0.346 0.000 2.380 244 L HA 0.585 4.925 4.340 -0.000 0.000 0.273 244 L C 1.228 177.963 176.870 -0.225 0.000 1.138 244 L CA -0.163 54.382 54.840 -0.493 0.000 0.832 244 L CB 1.120 42.963 42.059 -0.361 0.000 1.124 244 L HN 0.665 nan 8.230 nan 0.000 0.454 245 A N 2.441 125.139 122.820 -0.203 0.000 2.425 245 A HA 0.457 4.777 4.320 -0.000 0.000 0.249 245 A C 1.084 178.631 177.584 -0.061 0.000 1.084 245 A CA 0.295 52.277 52.037 -0.091 0.000 0.781 245 A CB 0.836 19.795 19.000 -0.067 0.000 1.019 245 A HN 0.957 nan 8.150 nan 0.000 0.490 246 A N 1.260 124.060 122.820 -0.034 0.000 1.969 246 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 246 A C 1.659 179.236 177.584 -0.012 0.000 1.169 246 A CA 1.746 53.775 52.037 -0.014 0.000 0.635 246 A CB -0.468 18.526 19.000 -0.010 0.000 0.810 246 A HN 0.866 nan 8.150 nan 0.000 0.445 247 D N -0.784 119.598 120.400 -0.030 0.000 2.133 247 D HA -0.112 4.528 4.640 -0.000 0.000 0.195 247 D C 1.625 177.918 176.300 -0.012 0.000 0.997 247 D CA 2.094 56.070 54.000 -0.039 0.000 0.840 247 D CB -0.249 40.501 40.800 -0.082 0.000 0.947 247 D HN 0.653 nan 8.370 nan 0.000 0.452 248 G N 0.452 109.248 108.800 -0.007 0.000 2.143 248 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.249 248 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.249 248 G C 0.317 175.229 174.900 0.021 0.000 0.981 248 G CA 0.154 45.269 45.100 0.025 0.000 0.665 248 G HN 0.282 nan 8.290 nan 0.000 0.528 249 R N -0.988 119.505 120.500 -0.012 0.000 2.740 249 R HA 0.586 4.926 4.340 -0.000 0.000 0.282 249 R C -0.533 175.776 176.300 0.016 0.000 0.969 249 R CA -0.471 55.629 56.100 0.000 0.000 0.918 249 R CB 1.701 31.929 30.300 -0.119 0.000 1.175 249 R HN 0.184 nan 8.270 nan 0.000 0.464 250 C N 2.015 121.362 119.300 0.079 0.000 2.330 250 C HA 0.303 4.763 4.460 -0.000 0.000 0.344 250 C C 0.266 175.322 174.990 0.111 0.000 1.273 250 C CA -0.638 58.421 59.018 0.069 0.000 1.879 250 C CB 0.209 27.974 27.740 0.042 0.000 2.376 250 C HN 0.633 nan 8.230 nan 0.000 0.534 251 K N 3.400 123.839 120.400 0.065 0.000 2.901 251 K HA 0.242 4.562 4.320 -0.000 0.000 0.199 251 K C -2.598 174.024 176.600 0.036 0.000 1.140 251 K CA -1.193 55.162 56.287 0.112 0.000 1.030 251 K CB 0.159 32.720 32.500 0.101 0.000 1.437 251 K HN 0.470 nan 8.250 nan 0.000 0.552 252 P HA -0.073 nan 4.420 nan 0.000 0.261 252 P C -0.223 176.927 177.300 -0.250 0.000 1.183 252 P CA 0.333 63.144 63.100 -0.482 0.000 0.761 252 P CB 0.191 31.449 31.700 -0.736 0.000 0.785 253 F N -0.786 119.328 119.950 0.273 0.000 2.666 253 F HA -0.281 4.246 4.527 -0.000 0.000 0.458 253 F C 1.261 177.314 175.800 0.422 0.000 0.561 253 F CA 1.264 59.506 58.000 0.403 0.000 1.129 253 F CB -2.811 36.519 39.000 0.549 0.000 1.751 253 F HN 0.372 nan 8.300 nan 0.000 0.275 254 S N 1.283 117.200 115.700 0.362 0.000 2.584 254 S HA 0.245 4.715 4.470 -0.000 0.000 0.270 254 S C 1.323 175.951 174.600 0.046 0.000 1.346 254 S CA -0.017 58.202 58.200 0.032 0.000 1.018 254 S CB 1.747 64.956 63.200 0.015 0.000 0.899 254 S HN 0.437 nan 8.310 nan 0.000 0.542 255 K N 1.627 121.997 120.400 -0.050 0.000 2.044 255 K HA -0.133 4.187 4.320 -0.000 0.000 0.210 255 K C 1.670 178.276 176.600 0.009 0.000 1.049 255 K CA 1.487 57.775 56.287 0.001 0.000 0.927 255 K CB -0.835 31.645 32.500 -0.033 0.000 0.713 255 K HN 0.845 nan 8.250 nan 0.000 0.443 256 A N 0.695 123.509 122.820 -0.011 0.000 2.223 256 A HA 0.260 4.580 4.320 -0.000 0.000 0.222 256 A C 0.262 177.855 177.584 0.014 0.000 1.317 256 A CA 0.434 52.471 52.037 0.000 0.000 0.985 256 A CB -0.715 18.280 19.000 -0.007 0.000 0.858 256 A HN 0.398 nan 8.150 nan 0.000 0.496 257 A N 0.003 122.841 122.820 0.029 0.000 2.444 257 A HA 0.360 4.680 4.320 -0.000 0.000 0.273 257 A C 0.566 178.166 177.584 0.026 0.000 1.136 257 A CA -0.151 51.905 52.037 0.031 0.000 0.799 257 A CB 0.085 19.111 19.000 0.043 0.000 1.081 257 A HN 0.377 nan 8.150 nan 0.000 0.509 258 D N 1.577 121.986 120.400 0.016 0.000 2.277 258 D HA 0.334 4.974 4.640 -0.000 0.000 0.209 258 D C 1.121 177.432 176.300 0.018 0.000 0.970 258 D CA 1.873 55.879 54.000 0.009 0.000 0.874 258 D CB 0.526 41.318 40.800 -0.013 0.000 0.982 258 D HN 0.984 nan 8.370 nan 0.000 0.504 259 G N -0.227 108.593 108.800 0.035 0.000 2.357 259 G HA2 0.191 4.151 3.960 -0.000 0.000 0.289 259 G HA3 0.191 4.151 3.960 -0.000 0.000 0.289 259 G C -1.212 173.732 174.900 0.075 0.000 1.302 259 G CA -0.539 44.598 45.100 0.062 0.000 0.936 259 G HN 0.095 nan 8.290 nan 0.000 0.513 260 F N -0.366 119.553 119.950 -0.052 0.000 2.509 260 F HA 0.901 5.428 4.527 -0.000 0.000 0.334 260 F C 0.465 176.215 175.800 -0.084 0.000 1.060 260 F CA -1.039 56.922 58.000 -0.065 0.000 0.997 260 F CB 1.683 40.652 39.000 -0.053 0.000 1.271 260 F HN 0.954 nan 8.300 nan 0.000 0.488 261 G N 1.956 110.785 108.800 0.047 0.000 2.478 261 G HA2 0.569 4.529 3.960 -0.000 0.000 0.317 261 G HA3 0.569 4.529 3.960 -0.000 0.000 0.317 261 G C -1.436 173.494 174.900 0.049 0.000 1.259 261 G CA -0.915 44.160 45.100 -0.041 0.000 0.933 261 G HN 0.816 nan 8.290 nan 0.000 0.478 262 L N 1.522 122.667 121.223 -0.130 0.000 2.380 262 L HA 0.570 4.910 4.340 -0.000 0.000 0.273 262 L C 0.749 177.638 176.870 0.033 0.000 1.138 262 L CA 0.034 54.789 54.840 -0.141 0.000 0.832 262 L CB 1.226 42.931 42.059 -0.591 0.000 1.124 262 L HN 0.669 nan 8.230 nan 0.000 0.454 263 A N 3.573 126.446 122.820 0.088 0.000 2.567 263 A HA 0.816 5.136 4.320 -0.000 0.000 0.289 263 A C -1.441 176.235 177.584 0.154 0.000 1.177 263 A CA -0.593 51.534 52.037 0.150 0.000 0.694 263 A CB 1.927 21.028 19.000 0.168 0.000 1.292 263 A HN 0.708 nan 8.150 nan 0.000 0.425 264 E N -0.576 119.727 120.200 0.172 0.000 2.390 264 E HA 0.713 5.063 4.350 -0.000 0.000 0.277 264 E C -0.289 176.412 176.600 0.168 0.000 0.939 264 E CA -0.580 55.916 56.400 0.160 0.000 0.769 264 E CB 1.989 31.783 29.700 0.157 0.000 1.251 264 E HN 1.766 nan 8.360 nan 0.000 0.450 265 G N 0.068 108.945 108.800 0.129 0.000 2.340 265 G HA2 0.659 4.619 3.960 -0.000 0.000 0.299 265 G HA3 0.659 4.619 3.960 -0.000 0.000 0.299 265 G C -1.812 173.026 174.900 -0.103 0.000 1.291 265 G CA -0.329 44.799 45.100 0.046 0.000 0.841 265 G HN 0.999 nan 8.290 nan 0.000 0.500 266 A N -1.341 121.222 122.820 -0.428 0.000 2.547 266 A HA 0.912 5.232 4.320 -0.000 0.000 0.298 266 A C -0.312 176.964 177.584 -0.513 0.000 1.062 266 A CA 0.433 52.261 52.037 -0.347 0.000 0.748 266 A CB 1.383 20.218 19.000 -0.275 0.000 1.288 266 A HN 2.325 nan 8.150 nan 0.000 0.396 267 G N 0.096 108.773 108.800 -0.204 0.000 2.659 267 G HA2 0.763 4.723 3.960 -0.000 0.000 0.296 267 G HA3 0.763 4.723 3.960 -0.000 0.000 0.296 267 G C -1.233 173.654 174.900 -0.021 0.000 1.369 267 G CA -0.364 44.668 45.100 -0.112 0.000 0.937 267 G HN 1.576 nan 8.290 nan 0.000 0.485 268 V N 0.048 119.964 119.914 0.002 0.000 2.876 268 V HA 0.738 4.858 4.120 -0.000 0.000 0.312 268 V C -0.963 175.163 176.094 0.054 0.000 1.085 268 V CA -1.013 61.307 62.300 0.032 0.000 0.945 268 V CB 1.720 33.559 31.823 0.026 0.000 1.017 268 V HN 0.605 nan 8.190 nan 0.000 0.428 269 L N 2.672 123.933 121.223 0.062 0.000 2.362 269 L HA 0.665 5.005 4.340 -0.000 0.000 0.271 269 L C -0.257 176.645 176.870 0.054 0.000 1.002 269 L CA -0.422 54.456 54.840 0.062 0.000 0.818 269 L CB 2.196 44.294 42.059 0.066 0.000 1.298 269 L HN 0.523 nan 8.230 nan 0.000 0.420 270 V N 4.581 124.523 119.914 0.046 0.000 2.348 270 V HA 0.411 4.531 4.120 -0.000 0.000 0.270 270 V C 0.070 176.189 176.094 0.041 0.000 1.037 270 V CA -0.436 61.886 62.300 0.037 0.000 0.872 270 V CB 0.835 32.675 31.823 0.028 0.000 1.002 270 V HN 0.456 nan 8.190 nan 0.000 0.464 271 L N 4.962 126.210 121.223 0.042 0.000 2.331 271 L HA 0.744 5.084 4.340 -0.000 0.000 0.275 271 L C -0.308 176.583 176.870 0.035 0.000 1.022 271 L CA -0.405 54.457 54.840 0.035 0.000 0.812 271 L CB 1.842 43.918 42.059 0.029 0.000 1.257 271 L HN 0.650 nan 8.230 nan 0.000 0.435 272 Q N 1.894 121.712 119.800 0.029 0.000 2.438 272 Q HA 0.263 4.603 4.340 -0.000 0.000 0.272 272 Q C -1.006 175.007 176.000 0.021 0.000 0.994 272 Q CA -0.902 54.920 55.803 0.031 0.000 0.887 272 Q CB 2.419 31.186 28.738 0.048 0.000 1.432 272 Q HN 0.546 nan 8.270 nan 0.000 0.392 273 R N 1.960 122.470 120.500 0.016 0.000 2.478 273 R HA -0.142 4.198 4.340 -0.000 0.000 0.281 273 R C 1.121 177.434 176.300 0.022 0.000 0.939 273 R CA 0.181 56.287 56.100 0.010 0.000 1.120 273 R CB 0.350 30.659 30.300 0.014 0.000 0.885 273 R HN 0.656 nan 8.270 nan 0.000 0.415 274 L N 3.954 125.190 121.223 0.021 0.000 2.093 274 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 274 L C 2.115 179.012 176.870 0.044 0.000 1.085 274 L CA 2.355 57.214 54.840 0.032 0.000 0.755 274 L CB -0.497 41.582 42.059 0.034 0.000 0.904 274 L HN 0.864 nan 8.230 nan 0.000 0.435 275 S N -0.522 115.218 115.700 0.067 0.000 2.399 275 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 275 S C 2.063 176.692 174.600 0.048 0.000 1.022 275 S CA 0.879 59.122 58.200 0.071 0.000 0.983 275 S CB -0.958 62.311 63.200 0.116 0.000 0.803 275 S HN 0.530 nan 8.310 nan 0.000 0.480 276 A N 1.835 124.682 122.820 0.045 0.000 1.930 276 A HA 0.507 4.827 4.320 -0.000 0.000 0.215 276 A C 2.502 180.106 177.584 0.034 0.000 1.176 276 A CA 1.261 53.321 52.037 0.038 0.000 0.632 276 A CB -1.324 17.700 19.000 0.040 0.000 0.819 276 A HN 0.779 nan 8.150 nan 0.000 0.445 277 A N 0.123 122.963 122.820 0.033 0.000 1.877 277 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 277 A C 2.188 179.782 177.584 0.016 0.000 1.186 277 A CA 1.565 53.618 52.037 0.026 0.000 0.620 277 A CB -0.482 18.533 19.000 0.026 0.000 0.822 277 A HN 0.364 nan 8.150 nan 0.000 0.443 278 R N -0.417 120.093 120.500 0.017 0.000 2.112 278 R HA -0.174 4.166 4.340 -0.000 0.000 0.242 278 R C 2.295 178.600 176.300 0.009 0.000 1.137 278 R CA 1.963 58.069 56.100 0.011 0.000 0.944 278 R CB -0.998 29.310 30.300 0.014 0.000 0.857 278 R HN 0.681 nan 8.270 nan 0.000 0.435 279 R N 1.112 121.621 120.500 0.014 0.000 2.073 279 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 279 R C 1.907 178.213 176.300 0.009 0.000 1.134 279 R CA 1.586 57.694 56.100 0.013 0.000 0.952 279 R CB -0.065 30.246 30.300 0.018 0.000 0.850 279 R HN 0.342 nan 8.270 nan 0.000 0.433 280 E N -0.767 119.439 120.200 0.009 0.000 2.472 280 E HA -0.036 4.314 4.350 -0.000 0.000 0.200 280 E C 0.477 177.070 176.600 -0.011 0.000 1.046 280 E CA 0.513 56.913 56.400 -0.001 0.000 0.871 280 E CB 0.073 29.772 29.700 -0.003 0.000 0.806 280 E HN 0.639 nan 8.360 nan 0.000 0.533 281 G N 2.184 110.981 108.800 -0.005 0.000 2.298 281 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.287 281 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.287 281 G C -0.131 174.760 174.900 -0.015 0.000 1.075 281 G CA 0.147 45.243 45.100 -0.007 0.000 0.960 281 G HN 0.098 nan 8.290 nan 0.000 0.502 282 R N -0.008 120.483 120.500 -0.015 0.000 2.674 282 R HA 0.521 4.861 4.340 -0.000 0.000 0.266 282 R C -2.294 173.999 176.300 -0.012 0.000 1.016 282 R CA -1.788 54.298 56.100 -0.022 0.000 1.062 282 R CB 1.376 31.665 30.300 -0.017 0.000 1.142 282 R HN 0.159 nan 8.270 nan 0.000 0.517 283 P HA 0.098 nan 4.420 nan 0.000 0.280 283 P C -0.514 176.780 177.300 -0.010 0.000 1.300 283 P CA -0.205 62.887 63.100 -0.013 0.000 0.785 283 P CB 0.730 32.423 31.700 -0.011 0.000 0.874 284 V N 6.096 126.000 119.914 -0.016 0.000 2.372 284 V HA 0.060 4.180 4.120 -0.000 0.000 0.261 284 V C 1.878 177.952 176.094 -0.034 0.000 1.055 284 V CA 0.018 62.308 62.300 -0.017 0.000 0.930 284 V CB 0.417 32.230 31.823 -0.016 0.000 1.031 284 V HN 0.483 nan 8.190 nan 0.000 0.479 285 L N 3.870 125.075 121.223 -0.031 0.000 2.240 285 L HA 0.375 4.715 4.340 -0.000 0.000 0.211 285 L C 0.992 177.820 176.870 -0.070 0.000 1.106 285 L CA 1.120 55.927 54.840 -0.054 0.000 0.793 285 L CB -0.118 41.921 42.059 -0.034 0.000 0.927 285 L HN 0.805 nan 8.230 nan 0.000 0.446 286 A N -1.311 121.482 122.820 -0.045 0.000 2.441 286 A HA 0.546 4.866 4.320 -0.000 0.000 0.295 286 A C -1.698 175.876 177.584 -0.018 0.000 0.992 286 A CA -0.514 51.496 52.037 -0.045 0.000 0.603 286 A CB 0.843 19.815 19.000 -0.047 0.000 1.385 286 A HN -0.286 nan 8.150 nan 0.000 0.470 287 V N 1.207 121.115 119.914 -0.011 0.000 2.482 287 V HA 0.406 4.526 4.120 -0.000 0.000 0.295 287 V C -0.474 175.630 176.094 0.016 0.000 1.026 287 V CA -0.281 62.021 62.300 0.004 0.000 0.856 287 V CB 1.349 33.174 31.823 0.003 0.000 1.001 287 V HN 0.699 nan 8.190 nan 0.000 0.424 288 L N 5.093 126.328 121.223 0.019 0.000 2.360 288 L HA 0.412 4.752 4.340 -0.000 0.000 0.276 288 L C 1.285 178.171 176.870 0.026 0.000 1.121 288 L CA 0.136 54.991 54.840 0.026 0.000 0.845 288 L CB 0.654 42.726 42.059 0.022 0.000 1.143 288 L HN 0.626 nan 8.230 nan 0.000 0.452 289 R N 1.568 122.091 120.500 0.039 0.000 2.279 289 R HA 0.315 4.655 4.340 -0.000 0.000 0.195 289 R C 0.286 176.614 176.300 0.047 0.000 0.905 289 R CA 0.358 56.483 56.100 0.041 0.000 1.044 289 R CB 0.905 31.236 30.300 0.052 0.000 1.056 289 R HN 0.832 nan 8.270 nan 0.000 0.535 290 G N -0.856 107.981 108.800 0.061 0.000 2.519 290 G HA2 0.365 4.325 3.960 -0.000 0.000 0.292 290 G HA3 0.365 4.325 3.960 -0.000 0.000 0.292 290 G C -1.453 173.506 174.900 0.098 0.000 1.507 290 G CA -0.172 44.973 45.100 0.075 0.000 0.806 290 G HN 0.138 nan 8.290 nan 0.000 0.523 291 S N -1.032 114.745 115.700 0.127 0.000 2.671 291 S HA 1.017 5.487 4.470 -0.000 0.000 0.277 291 S C -0.516 174.133 174.600 0.081 0.000 1.165 291 S CA -0.042 58.235 58.200 0.128 0.000 0.822 291 S CB 1.897 65.210 63.200 0.188 0.000 1.150 291 S HN 2.608 nan 8.310 nan 0.000 0.479 292 A N 0.180 122.972 122.820 -0.046 0.000 2.594 292 A HA 0.716 5.036 4.320 -0.000 0.000 0.296 292 A C -1.673 175.770 177.584 -0.234 0.000 1.061 292 A CA -0.655 51.284 52.037 -0.164 0.000 0.689 292 A CB 1.383 20.366 19.000 -0.028 0.000 1.280 292 A HN 1.372 nan 8.150 nan 0.000 0.406 293 V N 3.044 122.768 119.914 -0.317 0.000 2.577 293 V HA 0.600 4.720 4.120 -0.000 0.000 0.303 293 V C -0.077 175.963 176.094 -0.090 0.000 1.042 293 V CA -0.209 61.975 62.300 -0.193 0.000 0.872 293 V CB 1.600 33.275 31.823 -0.247 0.000 0.998 293 V HN 1.165 nan 8.190 nan 0.000 0.423 294 N N 3.027 121.706 118.700 -0.034 0.000 3.278 294 N HA 0.560 5.300 4.740 -0.000 0.000 0.307 294 N C -1.538 173.966 175.510 -0.009 0.000 1.551 294 N CA -1.050 51.987 53.050 -0.022 0.000 0.794 294 N CB 2.056 40.527 38.487 -0.027 0.000 1.770 294 N HN 0.419 nan 8.380 nan 0.000 0.612 295 Q N 0.028 119.819 119.800 -0.015 0.000 2.377 295 Q HA 0.173 4.513 4.340 -0.000 0.000 0.271 295 Q C -0.829 175.152 176.000 -0.033 0.000 1.077 295 Q CA -0.324 55.471 55.803 -0.015 0.000 0.820 295 Q CB 2.049 30.782 28.738 -0.009 0.000 1.347 295 Q HN 0.875 nan 8.270 nan 0.000 0.444 296 D N 0.466 120.841 120.400 -0.041 0.000 2.355 296 D HA 0.111 4.751 4.640 -0.000 0.000 0.218 296 D C 1.102 177.377 176.300 -0.041 0.000 1.004 296 D CA 0.724 54.689 54.000 -0.058 0.000 0.880 296 D CB 0.191 40.938 40.800 -0.089 0.000 0.911 296 D HN 0.812 nan 8.370 nan 0.000 0.528 297 G N 1.235 110.018 108.800 -0.027 0.000 2.561 297 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.289 297 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.289 297 G C 0.577 175.466 174.900 -0.019 0.000 1.169 297 G CA 0.593 45.681 45.100 -0.020 0.000 0.980 297 G HN 1.012 nan 8.290 nan 0.000 0.550 298 A N 0.982 123.791 122.820 -0.019 0.000 3.048 298 A HA 0.627 4.947 4.320 -0.000 0.000 0.264 298 A C 1.203 178.775 177.584 -0.019 0.000 1.796 298 A CA 1.409 53.437 52.037 -0.017 0.000 1.445 298 A CB -1.130 17.861 19.000 -0.015 0.000 1.074 298 A HN 2.159 nan 8.150 nan 0.000 0.621 299 S N 0.789 116.477 115.700 -0.019 0.000 2.598 299 S HA 0.147 4.617 4.470 -0.000 0.000 0.267 299 S C 1.064 175.657 174.600 -0.012 0.000 1.189 299 S CA -0.243 57.945 58.200 -0.020 0.000 1.010 299 S CB 0.150 63.337 63.200 -0.023 0.000 1.084 299 S HN 0.565 nan 8.310 nan 0.000 0.541 300 N N 0.806 119.501 118.700 -0.008 0.000 2.396 300 N HA 0.176 4.916 4.740 -0.000 0.000 0.180 300 N C 0.703 176.214 175.510 0.002 0.000 1.028 300 N CA 0.976 54.025 53.050 -0.002 0.000 0.893 300 N CB -0.270 38.219 38.487 0.002 0.000 0.967 300 N HN 0.813 nan 8.380 nan 0.000 0.440 301 G N -0.307 108.495 108.800 0.004 0.000 2.579 301 G HA2 0.280 4.240 3.960 -0.000 0.000 0.292 301 G HA3 0.280 4.240 3.960 -0.000 0.000 0.292 301 G C 0.234 175.138 174.900 0.008 0.000 1.484 301 G CA -0.686 44.418 45.100 0.007 0.000 0.813 301 G HN -0.016 nan 8.290 nan 0.000 0.515 302 L N 1.093 122.320 121.223 0.007 0.000 2.064 302 L HA -0.099 4.241 4.340 -0.000 0.000 0.216 302 L C 2.717 179.596 176.870 0.016 0.000 1.077 302 L CA 3.635 58.479 54.840 0.008 0.000 0.766 302 L CB -0.605 41.457 42.059 0.005 0.000 0.890 302 L HN 0.846 nan 8.230 nan 0.000 0.435 303 T N -2.971 111.599 114.554 0.025 0.000 3.107 303 T HA 0.430 4.780 4.350 -0.000 0.000 0.249 303 T C 0.833 175.560 174.700 0.046 0.000 1.096 303 T CA 0.082 62.209 62.100 0.044 0.000 1.012 303 T CB -0.609 68.298 68.868 0.064 0.000 0.977 303 T HN 0.454 nan 8.240 nan 0.000 0.527 304 A N 3.876 126.713 122.820 0.029 0.000 2.492 304 A HA 0.540 4.860 4.320 -0.000 0.000 0.254 304 A C -2.067 175.517 177.584 -0.000 0.000 1.091 304 A CA -1.389 50.660 52.037 0.020 0.000 0.768 304 A CB 0.014 19.021 19.000 0.011 0.000 1.028 304 A HN 0.350 nan 8.150 nan 0.000 0.498 305 P HA 0.262 nan 4.420 nan 0.000 0.276 305 P C -0.435 176.816 177.300 -0.081 0.000 1.244 305 P CA -0.227 62.837 63.100 -0.060 0.000 0.801 305 P CB 1.366 33.032 31.700 -0.055 0.000 1.006 306 S N 0.255 115.875 115.700 -0.133 0.000 2.605 306 S HA 0.512 4.982 4.470 -0.000 0.000 0.308 306 S C 1.284 175.783 174.600 -0.168 0.000 1.113 306 S CA -0.249 57.881 58.200 -0.118 0.000 1.049 306 S CB 0.705 63.849 63.200 -0.092 0.000 1.001 306 S HN 0.504 nan 8.310 nan 0.000 0.480 307 G N 4.730 113.453 108.800 -0.127 0.000 2.402 307 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.216 307 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.216 307 G C -1.096 173.731 174.900 -0.123 0.000 1.162 307 G CA 0.601 45.624 45.100 -0.129 0.000 0.777 307 G HN 0.644 nan 8.290 nan 0.000 0.539 308 P HA -0.086 nan 4.420 nan 0.000 0.216 308 P C 2.120 179.357 177.300 -0.105 0.000 1.150 308 P CA 2.002 65.048 63.100 -0.089 0.000 0.843 308 P CB -0.086 31.572 31.700 -0.070 0.000 0.787 309 A N -0.536 122.210 122.820 -0.123 0.000 1.929 309 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 309 A C 2.236 179.720 177.584 -0.166 0.000 1.176 309 A CA 1.274 53.234 52.037 -0.128 0.000 0.628 309 A CB -1.157 17.767 19.000 -0.126 0.000 0.816 309 A HN 0.174 nan 8.150 nan 0.000 0.444 310 Q N -0.447 119.198 119.800 -0.259 0.000 2.061 310 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 310 Q C 2.286 178.185 176.000 -0.169 0.000 0.984 310 Q CA 1.800 57.416 55.803 -0.312 0.000 0.846 310 Q CB -0.282 28.165 28.738 -0.485 0.000 0.902 310 Q HN 0.762 nan 8.270 nan 0.000 0.421 311 Q N 0.303 120.012 119.800 -0.151 0.000 2.096 311 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 311 Q C 2.173 178.089 176.000 -0.139 0.000 0.982 311 Q CA 1.140 56.858 55.803 -0.141 0.000 0.850 311 Q CB -0.110 28.559 28.738 -0.115 0.000 0.901 311 Q HN 0.275 nan 8.270 nan 0.000 0.422 312 R N -0.161 120.272 120.500 -0.113 0.000 2.083 312 R HA -0.132 4.208 4.340 -0.000 0.000 0.237 312 R C 2.357 178.606 176.300 -0.086 0.000 1.137 312 R CA 1.356 57.401 56.100 -0.091 0.000 0.951 312 R CB -0.558 29.698 30.300 -0.072 0.000 0.851 312 R HN 0.157 nan 8.270 nan 0.000 0.434 313 V N 1.222 121.091 119.914 -0.075 0.000 2.515 313 V HA -0.204 3.916 4.120 -0.000 0.000 0.250 313 V C 2.066 178.115 176.094 -0.075 0.000 1.058 313 V CA 1.541 63.819 62.300 -0.037 0.000 1.064 313 V CB -0.193 31.652 31.823 0.037 0.000 0.675 313 V HN 0.276 nan 8.190 nan 0.000 0.461 314 I N -0.371 120.076 120.570 -0.204 0.000 2.163 314 I HA -0.264 3.906 4.170 -0.000 0.000 0.243 314 I C 2.722 178.695 176.117 -0.240 0.000 1.085 314 I CA 1.877 62.932 61.300 -0.409 0.000 1.347 314 I CB -0.410 37.267 38.000 -0.539 0.000 1.044 314 I HN 0.232 nan 8.210 nan 0.000 0.408 315 R N 0.276 120.663 120.500 -0.190 0.000 2.115 315 R HA -0.103 4.237 4.340 -0.000 0.000 0.226 315 R C 2.708 178.971 176.300 -0.062 0.000 1.100 315 R CA 1.345 57.366 56.100 -0.132 0.000 0.980 315 R CB -0.474 29.756 30.300 -0.117 0.000 0.875 315 R HN 0.367 nan 8.270 nan 0.000 0.445 316 R N 1.154 121.628 120.500 -0.044 0.000 2.075 316 R HA 0.047 4.387 4.340 -0.000 0.000 0.232 316 R C 2.266 178.578 176.300 0.021 0.000 1.126 316 R CA 1.473 57.566 56.100 -0.011 0.000 0.963 316 R CB -1.324 28.968 30.300 -0.013 0.000 0.858 316 R HN 0.372 nan 8.270 nan 0.000 0.435 317 A N 1.161 124.007 122.820 0.042 0.000 1.873 317 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 317 A C 2.507 180.153 177.584 0.103 0.000 1.193 317 A CA 1.645 53.748 52.037 0.109 0.000 0.629 317 A CB -0.503 18.642 19.000 0.242 0.000 0.826 317 A HN 0.465 nan 8.150 nan 0.000 0.447 318 L N -1.064 120.205 121.223 0.076 0.000 2.131 318 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 318 L C 2.587 179.486 176.870 0.050 0.000 1.092 318 L CA 1.566 56.449 54.840 0.071 0.000 0.759 318 L CB -0.439 41.631 42.059 0.018 0.000 0.903 318 L HN 0.499 nan 8.230 nan 0.000 0.435 319 E N -0.106 120.112 120.200 0.029 0.000 2.046 319 E HA -0.170 4.180 4.350 -0.000 0.000 0.190 319 E C 1.920 178.542 176.600 0.038 0.000 0.982 319 E CA 1.028 57.443 56.400 0.026 0.000 0.800 319 E CB 0.081 29.789 29.700 0.013 0.000 0.756 319 E HN 0.458 nan 8.360 nan 0.000 0.449 320 N N 0.652 119.380 118.700 0.046 0.000 2.223 320 N HA -0.147 4.593 4.740 -0.000 0.000 0.185 320 N C 1.521 177.063 175.510 0.053 0.000 1.016 320 N CA 1.195 54.276 53.050 0.052 0.000 0.863 320 N CB -0.325 38.203 38.487 0.069 0.000 0.983 320 N HN 0.128 nan 8.380 nan 0.000 0.429 321 A N 0.183 123.043 122.820 0.065 0.000 1.929 321 A HA 0.261 4.581 4.320 -0.000 0.000 0.216 321 A C 1.501 179.121 177.584 0.059 0.000 1.176 321 A CA 1.334 53.412 52.037 0.068 0.000 0.628 321 A CB -0.669 18.387 19.000 0.093 0.000 0.816 321 A HN 0.371 nan 8.150 nan 0.000 0.444 322 G N -1.653 107.180 108.800 0.055 0.000 2.248 322 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.252 322 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.252 322 G C -0.225 174.710 174.900 0.058 0.000 1.085 322 G CA 0.122 45.252 45.100 0.050 0.000 0.845 322 G HN 1.070 nan 8.290 nan 0.000 0.494 323 V N -0.185 119.770 119.914 0.068 0.000 2.925 323 V HA 0.655 4.775 4.120 -0.000 0.000 0.311 323 V C 0.404 176.550 176.094 0.086 0.000 1.104 323 V CA -1.257 61.095 62.300 0.086 0.000 0.954 323 V CB 2.023 33.914 31.823 0.113 0.000 1.022 323 V HN 0.478 nan 8.190 nan 0.000 0.427 324 R N 2.156 122.710 120.500 0.091 0.000 2.428 324 R HA 0.613 4.953 4.340 -0.000 0.000 0.294 324 R C 1.188 177.567 176.300 0.132 0.000 1.000 324 R CA -0.036 56.115 56.100 0.085 0.000 0.960 324 R CB 1.248 31.590 30.300 0.070 0.000 1.076 324 R HN 0.861 nan 8.270 nan 0.000 0.475 325 A N 2.657 125.547 122.820 0.116 0.000 1.986 325 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 325 A C 2.050 179.803 177.584 0.282 0.000 1.171 325 A CA 2.019 54.187 52.037 0.219 0.000 0.640 325 A CB -0.891 18.133 19.000 0.039 0.000 0.811 325 A HN 0.947 nan 8.150 nan 0.000 0.451 326 G N -0.653 108.243 108.800 0.161 0.000 2.484 326 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.218 326 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.218 326 G C 0.818 175.795 174.900 0.128 0.000 1.130 326 G CA 0.990 46.168 45.100 0.130 0.000 0.784 326 G HN 0.517 nan 8.290 nan 0.000 0.543 327 D N -0.043 120.440 120.400 0.140 0.000 2.355 327 D HA 0.064 4.704 4.640 -0.000 0.000 0.218 327 D C 0.815 177.209 176.300 0.156 0.000 1.004 327 D CA 0.105 54.185 54.000 0.134 0.000 0.880 327 D CB 0.535 41.407 40.800 0.120 0.000 0.911 327 D HN 0.106 nan 8.370 nan 0.000 0.528 328 V N 2.152 122.162 119.914 0.160 0.000 2.432 328 V HA 0.075 4.195 4.120 -0.000 0.000 0.275 328 V C 0.899 177.027 176.094 0.057 0.000 1.043 328 V CA -0.225 62.147 62.300 0.121 0.000 0.925 328 V CB 1.995 33.858 31.823 0.066 0.000 0.985 328 V HN -0.011 nan 8.190 nan 0.000 0.466 329 D N 2.640 123.111 120.400 0.117 0.000 2.392 329 D HA 0.083 4.723 4.640 -0.000 0.000 0.206 329 D C -0.203 176.073 176.300 -0.041 0.000 1.046 329 D CA 0.822 54.851 54.000 0.048 0.000 0.865 329 D CB 0.986 41.822 40.800 0.059 0.000 0.969 329 D HN 0.544 nan 8.370 nan 0.000 0.509 330 Y N 0.497 120.657 120.300 -0.234 0.000 2.571 330 Y HA 0.408 4.958 4.550 0.000 0.000 0.341 330 Y C -1.859 173.936 175.900 -0.174 0.000 1.076 330 Y CA -0.884 57.060 58.100 -0.260 0.000 1.029 330 Y CB 1.850 39.997 38.460 -0.521 0.000 1.308 330 Y HN -0.375 nan 8.280 nan 0.000 0.461 331 V N 4.916 124.263 119.914 -0.946 0.000 2.569 331 V HA 0.259 4.379 4.120 -0.000 0.000 0.301 331 V C -0.811 174.794 176.094 -0.815 0.000 1.044 331 V CA -0.963 60.941 62.300 -0.659 0.000 0.874 331 V CB 1.717 33.322 31.823 -0.364 0.000 1.002 331 V HN 0.697 nan 8.190 nan 0.000 0.424 332 E N 3.793 123.728 120.200 -0.442 0.000 1.858 332 E HA 0.346 4.696 4.350 -0.000 0.000 0.267 332 E C 0.437 177.000 176.600 -0.062 0.000 1.215 332 E CA -0.022 56.286 56.400 -0.153 0.000 0.952 332 E CB 1.157 30.896 29.700 0.065 0.000 1.058 332 E HN 0.797 nan 8.360 nan 0.000 0.407 333 A N 2.954 125.773 122.820 -0.001 0.000 2.406 333 A HA -0.026 4.294 4.320 -0.000 0.000 0.243 333 A C 1.385 179.047 177.584 0.131 0.000 1.082 333 A CA -0.024 52.096 52.037 0.139 0.000 0.786 333 A CB 0.234 19.431 19.000 0.329 0.000 1.029 333 A HN 0.820 nan 8.150 nan 0.000 0.495 334 H N 1.118 120.167 119.070 -0.035 0.000 2.265 334 H HA -0.161 4.395 4.556 -0.000 0.000 0.295 334 H C 1.618 176.900 175.328 -0.077 0.000 1.084 334 H CA 1.734 57.708 56.048 -0.123 0.000 1.261 334 H CB -0.130 29.568 29.762 -0.107 0.000 1.360 334 H HN 1.258 nan 8.280 nan 0.000 0.487 335 G N 0.279 109.094 108.800 0.025 0.000 2.338 335 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.296 335 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.296 335 G C 1.014 175.701 174.900 -0.355 0.000 1.040 335 G CA 1.002 45.938 45.100 -0.273 0.000 1.004 335 G HN 0.687 nan 8.290 nan 0.000 0.509 336 T N -3.031 111.337 114.554 -0.309 0.000 2.995 336 T HA 0.327 4.677 4.350 -0.000 0.000 0.269 336 T C 2.367 177.011 174.700 -0.092 0.000 1.091 336 T CA 1.340 63.291 62.100 -0.247 0.000 1.128 336 T CB 0.014 68.746 68.868 -0.227 0.000 0.891 336 T HN 2.258 nan 8.240 nan 0.000 0.492 337 G N 1.094 109.810 108.800 -0.140 0.000 2.182 337 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.248 337 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.248 337 G C 0.042 174.961 174.900 0.031 0.000 1.042 337 G CA 0.177 45.235 45.100 -0.070 0.000 0.775 337 G HN 0.725 nan 8.290 nan 0.000 0.501 338 T N -0.532 114.055 114.554 0.055 0.000 2.922 338 T HA 0.448 4.798 4.350 -0.000 0.000 0.285 338 T C 1.771 176.518 174.700 0.079 0.000 1.005 338 T CA -0.325 61.839 62.100 0.107 0.000 1.061 338 T CB 1.368 70.315 68.868 0.133 0.000 1.007 338 T HN 0.322 nan 8.240 nan 0.000 0.502 339 R N 0.905 121.454 120.500 0.081 0.000 2.073 339 R HA 0.085 4.425 4.340 -0.000 0.000 0.229 339 R C 2.147 178.482 176.300 0.059 0.000 1.120 339 R CA 0.649 56.788 56.100 0.065 0.000 0.967 339 R CB -0.192 30.143 30.300 0.060 0.000 0.862 339 R HN 0.445 nan 8.270 nan 0.000 0.436 340 L N -0.046 121.218 121.223 0.068 0.000 2.072 340 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 340 L C 2.341 179.244 176.870 0.054 0.000 1.079 340 L CA 1.897 56.772 54.840 0.058 0.000 0.752 340 L CB -1.168 40.929 42.059 0.064 0.000 0.906 340 L HN 0.334 nan 8.230 nan 0.000 0.436 341 G N -0.766 108.080 108.800 0.077 0.000 2.394 341 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.214 341 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.214 341 G C 1.192 176.151 174.900 0.099 0.000 1.176 341 G CA 0.472 45.630 45.100 0.097 0.000 0.786 341 G HN 0.285 nan 8.290 nan 0.000 0.533 342 D N 1.346 121.803 120.400 0.096 0.000 2.092 342 D HA -0.073 4.567 4.640 -0.000 0.000 0.193 342 D C 0.198 176.526 176.300 0.047 0.000 0.994 342 D CA 1.193 55.287 54.000 0.156 0.000 0.828 342 D CB -1.220 39.674 40.800 0.155 0.000 0.963 342 D HN 0.232 nan 8.370 nan 0.000 0.450 343 P HA -0.065 nan 4.420 nan 0.000 0.215 343 P C 1.707 178.731 177.300 -0.460 0.000 1.153 343 P CA 0.816 63.672 63.100 -0.406 0.000 0.853 343 P CB 0.014 31.578 31.700 -0.227 0.000 0.788 344 I N -0.378 120.111 120.570 -0.135 0.000 2.226 344 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 344 I C 2.563 178.643 176.117 -0.062 0.000 1.100 344 I CA 1.558 62.828 61.300 -0.050 0.000 1.374 344 I CB -0.553 37.430 38.000 -0.028 0.000 1.057 344 I HN 0.016 nan 8.210 nan 0.000 0.413 345 E N 0.742 120.933 120.200 -0.015 0.000 2.072 345 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 345 E C 2.261 178.866 176.600 0.008 0.000 0.985 345 E CA 1.393 57.840 56.400 0.077 0.000 0.801 345 E CB 0.162 30.034 29.700 0.287 0.000 0.750 345 E HN 0.257 nan 8.360 nan 0.000 0.452 346 V N 0.568 120.405 119.914 -0.129 0.000 2.379 346 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 346 V C 1.903 177.898 176.094 -0.165 0.000 1.044 346 V CA 2.129 64.283 62.300 -0.244 0.000 1.036 346 V CB -0.712 30.817 31.823 -0.490 0.000 0.664 346 V HN 0.398 nan 8.190 nan 0.000 0.453 347 H N 0.204 119.184 119.070 -0.150 0.000 2.353 347 H HA -0.114 4.442 4.556 -0.000 0.000 0.300 347 H C 2.321 177.594 175.328 -0.092 0.000 1.090 347 H CA 1.215 57.183 56.048 -0.133 0.000 1.327 347 H CB -0.100 29.588 29.762 -0.123 0.000 1.383 347 H HN 0.467 nan 8.280 nan 0.000 0.508 348 A N 0.821 123.665 122.820 0.039 0.000 1.972 348 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 348 A C 2.286 179.865 177.584 -0.009 0.000 1.169 348 A CA 1.101 53.131 52.037 -0.012 0.000 0.635 348 A CB -0.551 18.420 19.000 -0.049 0.000 0.810 348 A HN 0.283 nan 8.150 nan 0.000 0.446 349 L N -0.968 120.270 121.223 0.025 0.000 2.109 349 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 349 L C 2.470 179.377 176.870 0.061 0.000 1.086 349 L CA 0.678 55.566 54.840 0.081 0.000 0.760 349 L CB -0.451 41.658 42.059 0.082 0.000 0.910 349 L HN 0.338 nan 8.230 nan 0.000 0.437 350 L N -0.777 120.460 121.223 0.023 0.000 2.042 350 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 350 L C 2.618 179.491 176.870 0.004 0.000 1.076 350 L CA 1.340 56.191 54.840 0.018 0.000 0.749 350 L CB -0.448 41.623 42.059 0.018 0.000 0.893 350 L HN 0.207 nan 8.230 nan 0.000 0.432 351 S N -1.339 114.353 115.700 -0.012 0.000 2.428 351 S HA -0.104 4.366 4.470 -0.000 0.000 0.230 351 S C 1.748 176.313 174.600 -0.058 0.000 1.014 351 S CA 1.394 59.572 58.200 -0.037 0.000 0.957 351 S CB -0.253 62.918 63.200 -0.048 0.000 0.784 351 S HN 0.635 nan 8.310 nan 0.000 0.499 352 T N -0.461 114.047 114.554 -0.078 0.000 3.401 352 T HA 0.155 4.505 4.350 -0.000 0.000 0.225 352 T C 1.464 176.093 174.700 -0.120 0.000 0.961 352 T CA 0.157 62.158 62.100 -0.164 0.000 1.429 352 T CB -0.879 67.795 68.868 -0.324 0.000 1.213 352 T HN 0.189 nan 8.240 nan 0.000 0.440 353 Y N 2.347 122.628 120.300 -0.032 0.000 2.224 353 Y HA 0.134 4.684 4.550 0.000 0.000 0.289 353 Y C 2.967 178.850 175.900 -0.027 0.000 1.146 353 Y CA 0.994 59.081 58.100 -0.021 0.000 1.182 353 Y CB -1.138 37.311 38.460 -0.018 0.000 0.983 353 Y HN 0.456 nan 8.280 nan 0.000 0.524 354 G N -0.523 108.347 108.800 0.117 0.000 2.433 354 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 354 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 354 G C 1.930 176.845 174.900 0.025 0.000 1.186 354 G CA 1.066 46.196 45.100 0.050 0.000 0.779 354 G HN 0.466 nan 8.290 nan 0.000 0.543 355 A N 0.017 122.844 122.820 0.011 0.000 2.019 355 A HA 0.053 4.373 4.320 -0.000 0.000 0.219 355 A C 1.894 179.482 177.584 0.006 0.000 1.164 355 A CA 1.312 53.349 52.037 -0.001 0.000 0.644 355 A CB -0.173 18.818 19.000 -0.016 0.000 0.805 355 A HN 0.382 nan 8.150 nan 0.000 0.449 356 E N 0.039 120.250 120.200 0.019 0.000 2.303 356 E HA 0.060 4.410 4.350 -0.000 0.000 0.211 356 E C -0.368 176.256 176.600 0.041 0.000 1.223 356 E CA -0.084 56.333 56.400 0.028 0.000 1.344 356 E CB -0.038 29.683 29.700 0.034 0.000 1.299 356 E HN 0.274 nan 8.360 nan 0.000 0.441 357 R N 0.508 121.025 120.500 0.028 0.000 2.885 357 R HA 0.280 4.620 4.340 -0.000 0.000 0.260 357 R C -0.458 175.847 176.300 0.009 0.000 1.107 357 R CA -0.704 55.408 56.100 0.021 0.000 0.978 357 R CB 0.443 30.747 30.300 0.007 0.000 1.227 357 R HN 0.089 nan 8.270 nan 0.000 0.473 358 D N 0.024 120.427 120.400 0.005 0.000 2.326 358 D HA 0.332 4.972 4.640 -0.000 0.000 0.251 358 D C -1.871 174.419 176.300 -0.017 0.000 1.023 358 D CA -1.678 52.321 54.000 -0.001 0.000 0.966 358 D CB 1.028 41.831 40.800 0.005 0.000 1.156 358 D HN 0.049 nan 8.370 nan 0.000 0.494 359 P HA -0.111 nan 4.420 nan 0.000 0.219 359 P C 0.929 178.206 177.300 -0.038 0.000 1.150 359 P CA 0.998 64.079 63.100 -0.033 0.000 0.814 359 P CB 0.182 31.871 31.700 -0.019 0.000 0.787 360 D N 0.889 121.280 120.400 -0.016 0.000 2.303 360 D HA -0.204 4.436 4.640 -0.000 0.000 0.190 360 D C 0.458 176.754 176.300 -0.006 0.000 1.011 360 D CA 1.753 55.751 54.000 -0.003 0.000 0.860 360 D CB -0.347 40.459 40.800 0.010 0.000 0.961 360 D HN 0.166 nan 8.370 nan 0.000 0.453 361 D N -0.801 119.592 120.400 -0.012 0.000 2.454 361 D HA 0.238 4.878 4.640 -0.000 0.000 0.247 361 D C -2.838 173.410 176.300 -0.087 0.000 1.129 361 D CA -1.863 52.133 54.000 -0.007 0.000 0.877 361 D CB 1.855 42.684 40.800 0.049 0.000 1.082 361 D HN 0.083 nan 8.370 nan 0.000 0.537 362 P HA 0.237 nan 4.420 nan 0.000 0.281 362 P C 0.082 177.128 177.300 -0.424 0.000 1.264 362 P CA -1.032 61.852 63.100 -0.360 0.000 0.824 362 P CB 1.459 32.819 31.700 -0.567 0.000 1.092 363 L N 2.283 123.324 121.223 -0.304 0.000 2.410 363 L HA 0.162 4.502 4.340 -0.000 0.000 0.273 363 L C -0.636 176.007 176.870 -0.379 0.000 1.144 363 L CA 0.020 54.709 54.840 -0.252 0.000 0.863 363 L CB -0.522 41.432 42.059 -0.174 0.000 1.140 363 L HN 0.411 nan 8.230 nan 0.000 0.463 364 W N 5.991 127.195 121.300 -0.160 0.000 2.359 364 W HA 0.587 5.247 4.660 -0.000 0.000 0.344 364 W C 0.061 176.447 176.519 -0.220 0.000 1.170 364 W CA -0.261 57.003 57.345 -0.134 0.000 1.296 364 W CB 1.087 30.497 29.460 -0.082 0.000 1.197 364 W HN 0.316 nan 8.180 nan 0.000 0.618 365 I N 1.257 121.877 120.570 0.083 0.000 2.692 365 I HA 0.670 4.840 4.170 -0.000 0.000 0.293 365 I C 0.059 176.193 176.117 0.028 0.000 1.200 365 I CA -0.556 60.641 61.300 -0.173 0.000 1.036 365 I CB 2.049 39.895 38.000 -0.256 0.000 1.258 365 I HN 0.540 nan 8.210 nan 0.000 0.421 366 G N 2.481 111.291 108.800 0.017 0.000 2.682 366 G HA2 0.629 4.589 3.960 -0.000 0.000 0.290 366 G HA3 0.629 4.589 3.960 -0.000 0.000 0.290 366 G C -1.968 173.074 174.900 0.237 0.000 1.425 366 G CA -0.456 44.792 45.100 0.247 0.000 0.807 366 G HN 0.444 nan 8.290 nan 0.000 0.482 367 S N -1.081 114.732 115.700 0.189 0.000 2.614 367 S HA 0.377 4.847 4.470 -0.000 0.000 0.275 367 S C 0.844 175.470 174.600 0.043 0.000 1.161 367 S CA -0.303 57.954 58.200 0.095 0.000 0.969 367 S CB 1.560 64.770 63.200 0.016 0.000 1.059 367 S HN 1.026 nan 8.310 nan 0.000 0.482 368 V N 5.649 125.586 119.914 0.037 0.000 2.970 368 V HA -0.027 4.093 4.120 -0.000 0.000 0.260 368 V C 2.301 178.404 176.094 0.016 0.000 1.100 368 V CA 1.055 63.368 62.300 0.022 0.000 1.122 368 V CB -0.779 31.072 31.823 0.047 0.000 0.721 368 V HN 0.793 nan 8.190 nan 0.000 0.483 369 K N 1.716 122.101 120.400 -0.024 0.000 2.211 369 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 369 K C 2.466 179.081 176.600 0.025 0.000 1.047 369 K CA 1.692 57.959 56.287 -0.032 0.000 0.935 369 K CB -0.343 32.074 32.500 -0.138 0.000 0.728 369 K HN 0.709 nan 8.250 nan 0.000 0.452 370 S N 0.955 116.665 115.700 0.016 0.000 2.419 370 S HA -0.163 4.307 4.470 -0.000 0.000 0.235 370 S C 1.456 176.093 174.600 0.062 0.000 1.019 370 S CA 1.595 59.825 58.200 0.049 0.000 0.982 370 S CB -0.292 62.896 63.200 -0.021 0.000 0.789 370 S HN 0.341 nan 8.310 nan 0.000 0.490 371 N N 1.776 120.512 118.700 0.060 0.000 2.333 371 N HA 0.268 5.008 4.740 -0.000 0.000 0.183 371 N C 1.775 177.447 175.510 0.270 0.000 1.030 371 N CA 1.291 54.418 53.050 0.128 0.000 0.867 371 N CB -0.184 38.374 38.487 0.119 0.000 1.027 371 N HN 0.706 nan 8.380 nan 0.000 0.435 372 I N -4.113 116.582 120.570 0.209 0.000 4.181 372 I HA 0.534 4.704 4.170 -0.000 0.000 0.331 372 I C 0.739 176.943 176.117 0.144 0.000 1.312 372 I CA -0.237 61.177 61.300 0.190 0.000 1.146 372 I CB 0.348 38.428 38.000 0.132 0.000 1.074 372 I HN 0.084 nan 8.210 nan 0.000 0.402 373 G N 1.805 110.677 108.800 0.121 0.000 2.631 373 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.504 373 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.504 373 G C -0.932 174.044 174.900 0.128 0.000 1.306 373 G CA -0.309 44.867 45.100 0.127 0.000 0.897 373 G HN 0.526 nan 8.290 nan 0.000 0.520 374 H N 0.678 119.780 119.070 0.054 0.000 3.067 374 H HA 0.494 5.050 4.556 0.000 0.000 0.265 374 H C 1.572 176.926 175.328 0.044 0.000 1.234 374 H CA 0.986 57.041 56.048 0.012 0.000 1.452 374 H CB 0.533 30.293 29.762 -0.003 0.000 1.527 374 H HN 0.572 nan 8.280 nan 0.000 0.486 375 T N 4.002 118.746 114.554 0.317 0.000 3.252 375 T HA 0.047 4.397 4.350 -0.000 0.000 0.250 375 T C 0.803 175.654 174.700 0.253 0.000 1.123 375 T CA 0.613 62.865 62.100 0.254 0.000 1.006 375 T CB -0.078 68.936 68.868 0.242 0.000 0.992 375 T HN 0.842 nan 8.240 nan 0.000 0.547 376 Q N -0.273 119.731 119.800 0.341 0.000 1.748 376 Q HA -0.353 3.987 4.340 -0.000 0.000 0.350 376 Q C 1.680 177.795 176.000 0.192 0.000 0.773 376 Q CA 1.467 57.358 55.803 0.146 0.000 0.909 376 Q CB -1.872 26.864 28.738 -0.004 0.000 3.006 376 Q HN 0.472 nan 8.270 nan 0.000 0.690 377 A N 0.320 123.218 122.820 0.131 0.000 1.933 377 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 377 A C 2.150 179.817 177.584 0.137 0.000 1.175 377 A CA 2.650 54.760 52.037 0.122 0.000 0.628 377 A CB -0.825 18.229 19.000 0.090 0.000 0.814 377 A HN 0.752 nan 8.150 nan 0.000 0.444 378 A N -0.061 122.852 122.820 0.156 0.000 1.969 378 A HA 0.412 4.732 4.320 -0.000 0.000 0.218 378 A C 1.582 179.298 177.584 0.219 0.000 1.169 378 A CA 0.932 53.084 52.037 0.192 0.000 0.635 378 A CB -1.088 18.055 19.000 0.237 0.000 0.810 378 A HN 1.233 nan 8.150 nan 0.000 0.445 379 A N -1.392 121.549 122.820 0.201 0.000 2.565 379 A HA 0.414 4.734 4.320 -0.000 0.000 0.237 379 A C 1.692 179.345 177.584 0.115 0.000 1.053 379 A CA 0.906 53.022 52.037 0.133 0.000 0.755 379 A CB -0.613 18.446 19.000 0.099 0.000 0.980 379 A HN 2.075 nan 8.150 nan 0.000 0.506 380 G N 0.886 109.738 108.800 0.086 0.000 2.475 380 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.209 380 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.209 380 G C 1.087 176.047 174.900 0.099 0.000 1.127 380 G CA 0.618 45.761 45.100 0.072 0.000 0.681 380 G HN 1.299 nan 8.290 nan 0.000 0.517 381 V N 2.050 122.045 119.914 0.134 0.000 2.307 381 V HA 0.095 4.215 4.120 -0.000 0.000 0.245 381 V C 3.343 179.564 176.094 0.213 0.000 1.045 381 V CA 3.087 65.484 62.300 0.163 0.000 1.024 381 V CB -1.222 30.704 31.823 0.172 0.000 0.651 381 V HN 1.093 nan 8.190 nan 0.000 0.449 382 A N 0.751 123.708 122.820 0.228 0.000 1.892 382 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 382 A C 2.443 180.151 177.584 0.207 0.000 1.188 382 A CA 2.227 54.337 52.037 0.122 0.000 0.631 382 A CB -1.418 17.450 19.000 -0.219 0.000 0.822 382 A HN 0.536 nan 8.150 nan 0.000 0.447 383 G N -0.468 108.414 108.800 0.137 0.000 2.491 383 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.218 383 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.218 383 G C 1.027 176.026 174.900 0.165 0.000 1.180 383 G CA 1.162 46.340 45.100 0.130 0.000 0.774 383 G HN 0.394 nan 8.290 nan 0.000 0.562 387 A N 1.623 124.565 122.820 0.203 0.000 1.892 387 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 387 A C 2.002 179.646 177.584 0.101 0.000 1.188 387 A CA 2.222 54.386 52.037 0.212 0.000 0.631 387 A CB -0.756 18.381 19.000 0.229 0.000 0.822 387 A HN 0.141 nan 8.150 nan 0.000 0.447 388 V N -0.244 119.708 119.914 0.063 0.000 2.295 388 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 388 V C 2.581 178.592 176.094 -0.138 0.000 1.049 388 V CA 2.024 64.310 62.300 -0.023 0.000 1.024 388 V CB -0.733 31.097 31.823 0.012 0.000 0.648 388 V HN 0.564 nan 8.190 nan 0.000 0.447 389 L N -0.002 121.143 121.223 -0.130 0.000 2.056 389 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 389 L C 2.721 179.201 176.870 -0.650 0.000 1.078 389 L CA 1.513 56.132 54.840 -0.370 0.000 0.749 389 L CB -0.786 41.158 42.059 -0.192 0.000 0.901 389 L HN 0.342 nan 8.230 nan 0.000 0.433 390 A N 0.086 122.685 122.820 -0.367 0.000 1.908 390 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 390 A C 2.267 179.704 177.584 -0.246 0.000 1.181 390 A CA 1.620 53.538 52.037 -0.198 0.000 0.627 390 A CB -0.759 18.314 19.000 0.123 0.000 0.818 390 A HN 0.358 nan 8.150 nan 0.000 0.445 391 L N -1.189 119.850 121.223 -0.306 0.000 2.017 391 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 391 L C 2.933 179.528 176.870 -0.459 0.000 1.073 391 L CA 1.610 56.146 54.840 -0.507 0.000 0.745 391 L CB -0.486 41.341 42.059 -0.386 0.000 0.894 391 L HN 0.375 nan 8.230 nan 0.000 0.432 392 R N -0.678 119.551 120.500 -0.452 0.000 2.082 392 R HA -0.191 4.149 4.340 -0.000 0.000 0.234 392 R C 2.191 178.197 176.300 -0.490 0.000 1.136 392 R CA 1.991 57.790 56.100 -0.502 0.000 0.935 392 R CB -0.685 29.210 30.300 -0.676 0.000 0.842 392 R HN 0.469 nan 8.270 nan 0.000 0.430 393 H N -1.246 117.573 119.070 -0.418 0.000 2.495 393 H HA 0.090 4.646 4.556 -0.000 0.000 0.287 393 H C 0.950 176.187 175.328 -0.152 0.000 1.033 393 H CA 0.558 56.420 56.048 -0.309 0.000 1.307 393 H CB 0.228 29.703 29.762 -0.479 0.000 1.401 393 H HN 0.577 nan 8.280 nan 0.000 0.555 394 G N 0.392 109.137 108.800 -0.091 0.000 2.248 394 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.263 394 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.263 394 G C -0.114 174.865 174.900 0.132 0.000 1.082 394 G CA 0.518 45.597 45.100 -0.035 0.000 0.863 394 G HN 0.536 nan 8.290 nan 0.000 0.495 398 R N -0.303 120.088 120.500 -0.182 0.000 2.817 398 R HA 0.419 4.759 4.340 -0.000 0.000 0.264 398 R C -0.537 175.691 176.300 -0.119 0.000 1.009 398 R CA 0.652 56.660 56.100 -0.154 0.000 1.133 398 R CB -0.012 30.186 30.300 -0.169 0.000 1.013 398 R HN 0.460 nan 8.270 nan 0.000 0.453 399 T N 4.512 119.006 114.554 -0.099 0.000 2.833 399 T HA 0.313 4.663 4.350 -0.000 0.000 0.297 399 T C 0.036 174.690 174.700 -0.077 0.000 1.015 399 T CA -0.599 61.463 62.100 -0.064 0.000 0.963 399 T CB 0.592 69.459 68.868 -0.001 0.000 0.955 399 T HN 0.334 nan 8.240 nan 0.000 0.449 400 L N 3.263 124.374 121.223 -0.188 0.000 2.474 400 L HA 0.214 4.554 4.340 -0.000 0.000 0.259 400 L C 0.869 177.584 176.870 -0.258 0.000 1.232 400 L CA -0.474 54.127 54.840 -0.398 0.000 0.821 400 L CB -0.045 41.483 42.059 -0.886 0.000 1.108 400 L HN 0.829 nan 8.230 nan 0.000 0.495 401 H N -0.634 118.483 119.070 0.078 0.000 2.713 401 H HA -0.228 4.328 4.556 0.000 0.000 0.311 401 H C -0.443 174.973 175.328 0.147 0.000 1.175 401 H CA 0.491 56.586 56.048 0.080 0.000 1.143 401 H CB -2.209 27.582 29.762 0.049 0.000 1.434 401 H HN 0.411 nan 8.280 nan 0.000 0.418 402 F N 1.545 121.537 119.950 0.069 0.000 2.359 402 F HA 0.366 4.893 4.527 -0.000 0.000 0.355 402 F C 1.030 176.863 175.800 0.055 0.000 1.132 402 F CA 0.055 58.097 58.000 0.071 0.000 1.246 402 F CB -0.385 38.650 39.000 0.058 0.000 1.569 402 F HN 0.359 nan 8.300 nan 0.000 0.561 403 D N 2.441 122.746 120.400 -0.159 0.000 2.143 403 D HA 0.041 4.681 4.640 -0.000 0.000 0.230 403 D C 0.832 176.947 176.300 -0.308 0.000 1.058 403 D CA 1.891 55.791 54.000 -0.166 0.000 0.947 403 D CB -0.609 40.126 40.800 -0.108 0.000 1.269 403 D HN 0.614 nan 8.370 nan 0.000 0.498 404 E N 0.002 119.978 120.200 -0.375 0.000 2.244 404 E HA 0.605 4.955 4.350 -0.000 0.000 0.266 404 E C -2.862 173.368 176.600 -0.617 0.000 0.914 404 E CA -1.700 54.463 56.400 -0.395 0.000 0.794 404 E CB 1.124 30.721 29.700 -0.172 0.000 1.210 404 E HN 0.355 nan 8.360 nan 0.000 0.414 405 P HA 0.007 nan 4.420 nan 0.000 0.264 405 P C 0.008 177.370 177.300 0.103 0.000 1.173 405 P CA 0.267 63.229 63.100 -0.229 0.000 0.761 405 P CB 0.741 32.225 31.700 -0.359 0.000 0.794 406 S N 4.289 120.233 115.700 0.405 0.000 2.549 406 S HA 0.146 4.616 4.470 -0.000 0.000 0.283 406 S C -1.406 173.407 174.600 0.356 0.000 1.320 406 S CA -1.022 57.368 58.200 0.316 0.000 1.058 406 S CB -0.220 63.162 63.200 0.302 0.000 0.882 406 S HN 0.319 nan 8.310 nan 0.000 0.498 407 P HA 0.165 nan 4.420 nan 0.000 0.255 407 P C 0.026 177.395 177.300 0.115 0.000 1.301 407 P CA 0.176 63.374 63.100 0.163 0.000 0.817 407 P CB 0.209 31.969 31.700 0.100 0.000 1.259 408 Q N -0.514 119.343 119.800 0.095 0.000 2.282 408 Q HA 0.310 4.650 4.340 -0.000 0.000 0.206 408 Q C 0.486 176.486 176.000 0.000 0.000 0.878 408 Q CA 0.263 56.095 55.803 0.049 0.000 0.944 408 Q CB 0.199 28.962 28.738 0.042 0.000 1.100 408 Q HN 0.317 nan 8.270 nan 0.000 0.509 409 I N 0.758 121.272 120.570 -0.093 0.000 2.433 409 I HA 0.216 4.386 4.170 -0.000 0.000 0.292 409 I C 0.021 175.932 176.117 -0.345 0.000 1.001 409 I CA -0.581 60.490 61.300 -0.383 0.000 1.119 409 I CB 1.949 39.361 38.000 -0.980 0.000 1.289 409 I HN -0.062 nan 8.210 nan 0.000 0.438 410 E N 5.852 126.039 120.200 -0.021 0.000 2.110 410 E HA 0.062 4.412 4.350 -0.000 0.000 0.300 410 E C -1.077 175.501 176.600 -0.037 0.000 1.278 410 E CA -0.297 56.077 56.400 -0.044 0.000 1.365 410 E CB 0.131 29.770 29.700 -0.101 0.000 1.283 410 E HN 0.351 nan 8.360 nan 0.000 0.490 411 W N 0.596 121.943 121.300 0.079 0.000 2.209 411 W HA 0.048 4.708 4.660 0.000 0.000 0.344 411 W C 1.278 177.803 176.519 0.010 0.000 1.285 411 W CA 1.030 58.395 57.345 0.034 0.000 1.267 411 W CB -0.019 29.455 29.460 0.024 0.000 1.167 411 W HN 0.515 nan 8.180 nan 0.000 0.574 412 D N -0.994 119.545 120.400 0.231 0.000 2.904 412 D HA 0.230 4.870 4.640 -0.000 0.000 0.231 412 D C -0.637 175.701 176.300 0.064 0.000 1.185 412 D CA 1.039 55.104 54.000 0.107 0.000 0.783 412 D CB -1.729 39.122 40.800 0.085 0.000 0.961 412 D HN 1.157 nan 8.370 nan 0.000 0.409 416 V N 0.005 119.819 119.914 -0.167 0.000 3.765 416 V HA -0.106 4.014 4.120 -0.000 0.000 0.447 416 V C 0.189 176.182 176.094 -0.168 0.000 0.680 416 V CA 1.048 63.256 62.300 -0.153 0.000 1.894 416 V CB -2.007 29.801 31.823 -0.025 0.000 2.321 416 V HN 1.497 nan 8.190 nan 0.000 0.492 417 S N 3.002 118.442 115.700 -0.433 0.000 2.566 417 S HA 0.835 5.305 4.470 -0.000 0.000 0.298 417 S C -0.058 174.355 174.600 -0.312 0.000 1.083 417 S CA -0.785 57.126 58.200 -0.481 0.000 0.978 417 S CB 2.493 65.157 63.200 -0.894 0.000 1.073 417 S HN 0.693 nan 8.310 nan 0.000 0.491 418 V N 1.911 121.675 119.914 -0.250 0.000 2.567 418 V HA 0.370 4.490 4.120 -0.000 0.000 0.289 418 V C 0.197 176.282 176.094 -0.014 0.000 1.049 418 V CA -0.726 61.461 62.300 -0.188 0.000 0.969 418 V CB 1.589 33.125 31.823 -0.478 0.000 0.995 418 V HN 0.680 nan 8.190 nan 0.000 0.471 419 V N 4.817 124.777 119.914 0.078 0.000 2.372 419 V HA 0.293 4.413 4.120 -0.000 0.000 0.261 419 V C 1.102 177.091 176.094 -0.174 0.000 1.055 419 V CA 0.875 63.181 62.300 0.010 0.000 0.930 419 V CB 0.925 32.710 31.823 -0.063 0.000 1.031 419 V HN 1.104 nan 8.190 nan 0.000 0.479 420 S N 3.397 118.982 115.700 -0.191 0.000 2.497 420 S HA 0.316 4.786 4.470 -0.000 0.000 0.221 420 S C 0.868 175.425 174.600 -0.071 0.000 1.037 420 S CA 0.651 58.759 58.200 -0.154 0.000 0.920 420 S CB -0.039 63.133 63.200 -0.046 0.000 0.800 420 S HN 1.408 nan 8.310 nan 0.000 0.505 421 Q N 0.808 120.557 119.800 -0.086 0.000 2.309 421 Q HA 0.844 5.184 4.340 -0.000 0.000 0.264 421 Q C -0.240 175.668 176.000 -0.154 0.000 1.008 421 Q CA -0.748 54.996 55.803 -0.098 0.000 0.853 421 Q CB 1.076 29.772 28.738 -0.071 0.000 1.314 421 Q HN 0.937 nan 8.270 nan 0.000 0.448 422 A N 2.611 125.339 122.820 -0.153 0.000 2.515 422 A HA 0.463 4.783 4.320 -0.000 0.000 0.263 422 A C 0.173 177.640 177.584 -0.194 0.000 1.096 422 A CA -0.049 51.882 52.037 -0.178 0.000 0.769 422 A CB -0.104 18.799 19.000 -0.161 0.000 1.040 422 A HN 0.727 nan 8.150 nan 0.000 0.505 423 R N 1.513 121.848 120.500 -0.275 0.000 2.596 423 R HA 0.553 4.893 4.340 -0.000 0.000 0.267 423 R C 0.563 176.743 176.300 -0.201 0.000 1.026 423 R CA -0.127 55.791 56.100 -0.304 0.000 1.087 423 R CB 1.383 31.342 30.300 -0.569 0.000 1.132 423 R HN 0.830 nan 8.270 nan 0.000 0.531 424 S N -0.250 115.369 115.700 -0.136 0.000 2.722 424 S HA 0.439 4.909 4.470 -0.000 0.000 0.292 424 S C -1.104 173.528 174.600 0.054 0.000 1.135 424 S CA -0.613 57.577 58.200 -0.017 0.000 1.003 424 S CB 1.336 64.539 63.200 0.005 0.000 1.067 424 S HN 0.689 nan 8.310 nan 0.000 0.546 425 W N 3.307 124.545 121.300 -0.104 0.000 1.752 425 W HA 0.441 5.101 4.660 -0.000 0.000 0.308 425 W C -3.080 173.404 176.519 -0.058 0.000 0.978 425 W CA -2.292 54.997 57.345 -0.093 0.000 1.401 425 W CB 0.447 29.834 29.460 -0.121 0.000 1.522 425 W HN 0.630 nan 8.180 nan 0.000 0.359 426 P HA 0.470 nan 4.420 nan 0.000 0.282 426 P C -0.362 176.913 177.300 -0.042 0.000 1.259 426 P CA -0.358 62.747 63.100 0.008 0.000 0.826 426 P CB 1.348 33.066 31.700 0.030 0.000 1.064 427 A N 1.873 124.641 122.820 -0.087 0.000 2.545 427 A HA 0.481 4.801 4.320 -0.000 0.000 0.297 427 A C 1.056 178.619 177.584 -0.035 0.000 1.340 427 A CA 0.169 52.148 52.037 -0.097 0.000 1.016 427 A CB -1.275 17.660 19.000 -0.107 0.000 1.122 427 A HN 0.644 nan 8.150 nan 0.000 0.537 428 G N 0.706 109.503 108.800 -0.004 0.000 2.494 428 G HA2 0.434 4.394 3.960 -0.000 0.000 0.270 428 G HA3 0.434 4.394 3.960 -0.000 0.000 0.270 428 G C 0.945 175.851 174.900 0.011 0.000 1.423 428 G CA 0.418 45.531 45.100 0.022 0.000 1.055 428 G HN 0.839 nan 8.290 nan 0.000 0.536 429 E N -0.753 119.461 120.200 0.023 0.000 2.107 429 E HA 0.032 4.382 4.350 -0.000 0.000 0.191 429 E C 1.677 178.289 176.600 0.020 0.000 0.982 429 E CA 0.910 57.321 56.400 0.018 0.000 0.809 429 E CB -0.175 29.538 29.700 0.022 0.000 0.756 429 E HN 0.434 nan 8.360 nan 0.000 0.459 430 R N 0.467 120.987 120.500 0.034 0.000 2.490 430 R HA 0.364 4.704 4.340 -0.000 0.000 0.278 430 R C -2.487 173.829 176.300 0.027 0.000 1.069 430 R CA -2.036 54.087 56.100 0.039 0.000 1.080 430 R CB 0.966 31.304 30.300 0.063 0.000 1.030 430 R HN 0.164 nan 8.270 nan 0.000 0.491 431 P HA 0.038 nan 4.420 nan 0.000 0.265 431 P C -0.918 176.399 177.300 0.028 0.000 1.193 431 P CA 0.179 63.280 63.100 0.002 0.000 0.765 431 P CB 0.562 32.266 31.700 0.007 0.000 0.823 432 R N 3.545 124.029 120.500 -0.027 0.000 2.298 432 R HA 0.397 4.737 4.340 -0.000 0.000 0.310 432 R C 0.614 176.957 176.300 0.072 0.000 1.068 432 R CA -0.432 55.685 56.100 0.028 0.000 0.957 432 R CB 0.726 30.832 30.300 -0.324 0.000 1.003 432 R HN 0.507 nan 8.270 nan 0.000 0.454 433 R N 1.233 121.880 120.500 0.246 0.000 2.854 433 R HA 0.821 5.161 4.340 -0.000 0.000 0.271 433 R C -1.297 175.219 176.300 0.359 0.000 0.994 433 R CA -1.148 55.090 56.100 0.229 0.000 0.945 433 R CB 1.993 32.390 30.300 0.161 0.000 1.194 433 R HN 0.567 nan 8.270 nan 0.000 0.476 434 A N 0.589 123.585 122.820 0.294 0.000 2.475 434 A HA 0.771 5.091 4.320 -0.000 0.000 0.301 434 A C -0.688 176.975 177.584 0.133 0.000 1.059 434 A CA -0.551 51.657 52.037 0.284 0.000 0.710 434 A CB 2.137 21.433 19.000 0.492 0.000 1.288 434 A HN 0.832 nan 8.150 nan 0.000 0.408 435 G N -0.409 108.411 108.800 0.033 0.000 2.441 435 G HA2 0.613 4.573 3.960 -0.000 0.000 0.334 435 G HA3 0.613 4.573 3.960 -0.000 0.000 0.334 435 G C -1.213 173.566 174.900 -0.200 0.000 1.161 435 G CA -0.594 44.459 45.100 -0.078 0.000 0.935 435 G HN 1.115 nan 8.290 nan 0.000 0.488 436 V N 0.604 120.270 119.914 -0.413 0.000 2.686 436 V HA 0.663 4.783 4.120 -0.000 0.000 0.306 436 V C -0.144 175.743 176.094 -0.344 0.000 1.065 436 V CA -0.839 61.315 62.300 -0.243 0.000 0.894 436 V CB 1.735 33.500 31.823 -0.097 0.000 1.004 436 V HN 1.101 nan 8.190 nan 0.000 0.424 437 S N 2.356 117.951 115.700 -0.174 0.000 2.536 437 S HA 0.893 5.363 4.470 -0.000 0.000 0.298 437 S C -0.592 173.737 174.600 -0.452 0.000 1.083 437 S CA -0.721 57.339 58.200 -0.234 0.000 0.995 437 S CB 2.036 65.196 63.200 -0.067 0.000 1.058 437 S HN 0.862 nan 8.310 nan 0.000 0.488 438 S N 0.977 116.321 115.700 -0.594 0.000 2.540 438 S HA 0.804 5.274 4.470 -0.000 0.000 0.275 438 S C -2.092 172.078 174.600 -0.718 0.000 1.123 438 S CA -0.675 57.203 58.200 -0.536 0.000 0.907 438 S CB 0.523 63.646 63.200 -0.128 0.000 1.081 438 S HN 0.552 nan 8.310 nan 0.000 0.476 439 F N 2.154 121.740 119.950 -0.607 0.000 2.539 439 F HA 0.537 5.064 4.527 -0.000 0.000 0.328 439 F C 0.960 176.598 175.800 -0.269 0.000 1.148 439 F CA -0.997 56.739 58.000 -0.440 0.000 0.940 439 F CB 1.379 40.089 39.000 -0.483 0.000 1.194 439 F HN 0.716 nan 8.300 nan 0.000 0.438 440 G N 2.413 111.264 108.800 0.085 0.000 2.559 440 G HA2 0.202 4.162 3.960 -0.000 0.000 0.235 440 G HA3 0.202 4.162 3.960 -0.000 0.000 0.235 440 G C 0.997 175.951 174.900 0.090 0.000 1.266 440 G CA -0.220 44.931 45.100 0.086 0.000 0.847 440 G HN 0.839 nan 8.290 nan 0.000 0.583 441 I N 1.128 121.756 120.570 0.098 0.000 2.286 441 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 441 I C 2.727 178.881 176.117 0.062 0.000 1.104 441 I CA 1.619 62.974 61.300 0.093 0.000 1.397 441 I CB 0.091 38.157 38.000 0.110 0.000 1.072 441 I HN 0.551 nan 8.210 nan 0.000 0.417 442 S N 0.325 116.057 115.700 0.052 0.000 2.660 442 S HA 0.140 4.610 4.470 -0.000 0.000 0.228 442 S C 1.449 176.066 174.600 0.027 0.000 0.966 442 S CA 0.354 58.575 58.200 0.035 0.000 0.940 442 S CB -0.334 62.885 63.200 0.031 0.000 0.773 442 S HN 0.722 nan 8.310 nan 0.000 0.535 443 G N 0.053 108.871 108.800 0.030 0.000 2.132 443 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.234 443 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.234 443 G C 0.004 174.912 174.900 0.013 0.000 0.989 443 G CA 0.041 45.148 45.100 0.011 0.000 0.676 443 G HN 0.590 nan 8.290 nan 0.000 0.522 444 T N 1.254 115.829 114.554 0.034 0.000 2.753 444 T HA 0.505 4.855 4.350 -0.000 0.000 0.297 444 T C 0.247 174.991 174.700 0.073 0.000 0.981 444 T CA -0.277 61.846 62.100 0.039 0.000 0.956 444 T CB 0.644 69.534 68.868 0.037 0.000 0.936 444 T HN 0.468 nan 8.240 nan 0.000 0.463 445 N N 1.482 120.235 118.700 0.090 0.000 2.456 445 N HA 0.739 5.479 4.740 -0.000 0.000 0.296 445 N C -0.691 174.912 175.510 0.156 0.000 1.102 445 N CA -0.840 52.347 53.050 0.227 0.000 0.924 445 N CB 1.398 40.016 38.487 0.217 0.000 1.186 445 N HN 0.678 nan 8.380 nan 0.000 0.492 446 A N 0.796 123.713 122.820 0.162 0.000 2.539 446 A HA 0.692 5.012 4.320 -0.000 0.000 0.296 446 A C -1.682 175.979 177.584 0.129 0.000 1.073 446 A CA -0.410 51.675 52.037 0.080 0.000 0.700 446 A CB 1.282 20.288 19.000 0.010 0.000 1.296 446 A HN 0.860 nan 8.150 nan 0.000 0.405 447 H N -0.866 118.211 119.070 0.010 0.000 3.029 447 H HA 0.653 5.209 4.556 -0.000 0.000 0.358 447 H C -1.816 173.537 175.328 0.042 0.000 1.129 447 H CA -0.290 55.779 56.048 0.035 0.000 1.230 447 H CB 1.897 31.714 29.762 0.092 0.000 1.827 447 H HN 0.912 nan 8.280 nan 0.000 0.530 448 V N 5.827 125.617 119.914 -0.207 0.000 3.007 448 V HA 0.568 4.688 4.120 -0.000 0.000 0.311 448 V C -1.177 174.862 176.094 -0.091 0.000 1.120 448 V CA -0.684 61.578 62.300 -0.063 0.000 0.980 448 V CB 1.981 33.789 31.823 -0.024 0.000 1.033 448 V HN 0.772 nan 8.190 nan 0.000 0.429 449 I N 5.165 125.751 120.570 0.026 0.000 2.382 449 I HA 0.527 4.697 4.170 -0.000 0.000 0.286 449 I C -0.423 175.732 176.117 0.064 0.000 1.002 449 I CA -0.507 60.832 61.300 0.066 0.000 1.135 449 I CB 1.915 39.995 38.000 0.133 0.000 1.288 449 I HN 0.407 nan 8.210 nan 0.000 0.448 450 V N 5.601 125.558 119.914 0.071 0.000 2.713 450 V HA 0.529 4.649 4.120 -0.000 0.000 0.307 450 V C -0.206 175.928 176.094 0.067 0.000 1.052 450 V CA -0.615 61.724 62.300 0.065 0.000 0.967 450 V CB 1.829 33.696 31.823 0.073 0.000 1.019 450 V HN 0.730 nan 8.190 nan 0.000 0.459 451 E N 1.224 121.443 120.200 0.030 0.000 2.331 451 E HA 0.362 4.712 4.350 -0.000 0.000 0.275 451 E C -0.677 175.894 176.600 -0.047 0.000 0.895 451 E CA -0.747 55.657 56.400 0.008 0.000 0.753 451 E CB 1.902 31.615 29.700 0.021 0.000 1.216 451 E HN 0.910 nan 8.360 nan 0.000 0.434 452 E N 2.233 122.373 120.200 -0.101 0.000 2.481 452 E HA 0.211 4.561 4.350 -0.000 0.000 0.263 452 E C -0.228 176.315 176.600 -0.095 0.000 0.992 452 E CA -0.178 56.134 56.400 -0.148 0.000 0.938 452 E CB 0.658 30.229 29.700 -0.215 0.000 0.933 452 E HN 0.481 nan 8.360 nan 0.000 0.453 453 A N 4.040 126.801 122.820 -0.098 0.000 2.492 453 A HA 0.257 4.577 4.320 -0.000 0.000 0.236 453 A C -1.699 175.849 177.584 -0.059 0.000 1.078 453 A CA -0.786 51.210 52.037 -0.067 0.000 0.773 453 A CB -0.401 18.556 19.000 -0.071 0.000 1.023 453 A HN 0.762 nan 8.150 nan 0.000 0.504 454 P HA 0.313 nan 4.420 nan 0.000 0.312 454 P C -0.571 176.709 177.300 -0.034 0.000 1.308 454 P CA -0.531 62.550 63.100 -0.031 0.000 0.743 454 P CB 0.371 32.063 31.700 -0.014 0.000 1.364 455 E N -0.913 119.271 120.200 -0.027 0.000 2.343 455 E HA 0.565 4.915 4.350 -0.000 0.000 0.269 455 E C -0.309 176.277 176.600 -0.023 0.000 1.047 455 E CA -0.216 56.168 56.400 -0.027 0.000 0.874 455 E CB 0.927 30.613 29.700 -0.022 0.000 1.033 455 E HN 0.587 nan 8.360 nan 0.000 0.409 456 A N 2.279 125.085 122.820 -0.025 0.000 2.608 456 A HA 0.629 4.949 4.320 -0.000 0.000 0.292 456 A C -1.427 176.144 177.584 -0.021 0.000 1.066 456 A CA -0.578 51.446 52.037 -0.021 0.000 0.676 456 A CB 1.698 20.684 19.000 -0.023 0.000 1.277 456 A HN 0.694 nan 8.150 nan 0.000 0.413 467 P HA 0.755 nan 4.420 nan 0.000 0.290 467 P C -1.217 176.134 177.300 0.085 0.000 1.275 467 P CA -0.741 62.398 63.100 0.065 0.000 0.841 467 P CB 2.322 34.060 31.700 0.064 0.000 1.042 468 V N 3.462 123.419 119.914 0.072 0.000 2.888 468 V HA 0.407 4.527 4.120 -0.000 0.000 0.309 468 V C -2.590 173.509 176.094 0.009 0.000 1.114 468 V CA -1.903 60.429 62.300 0.054 0.000 0.940 468 V CB 2.936 34.831 31.823 0.119 0.000 1.021 468 V HN 0.578 nan 8.190 nan 0.000 0.426 469 P HA 0.386 nan 4.420 nan 0.000 0.287 469 P C -1.179 176.007 177.300 -0.190 0.000 1.294 469 P CA -0.171 62.815 63.100 -0.190 0.000 0.776 469 P CB 0.712 32.163 31.700 -0.415 0.000 0.889 470 L N 4.240 125.357 121.223 -0.178 0.000 2.280 470 L HA 0.511 4.851 4.340 -0.000 0.000 0.287 470 L C 0.487 177.205 176.870 -0.253 0.000 1.023 470 L CA -1.014 53.719 54.840 -0.179 0.000 0.819 470 L CB 1.851 43.859 42.059 -0.086 0.000 1.212 470 L HN 0.170 nan 8.230 nan 0.000 0.420 471 V N 6.443 126.150 119.914 -0.345 0.000 2.459 471 V HA 0.803 4.923 4.120 -0.000 0.000 0.295 471 V C -0.740 175.263 176.094 -0.152 0.000 1.029 471 V CA -0.365 61.721 62.300 -0.355 0.000 0.874 471 V CB 1.805 33.160 31.823 -0.780 0.000 0.985 471 V HN 0.662 nan 8.190 nan 0.000 0.438 472 L N 3.870 125.090 121.223 -0.005 0.000 2.540 472 L HA 1.061 5.401 4.340 -0.000 0.000 0.256 472 L C -0.599 176.353 176.870 0.136 0.000 1.001 472 L CA -0.306 54.563 54.840 0.048 0.000 0.843 472 L CB 1.864 43.930 42.059 0.010 0.000 1.436 472 L HN 0.907 nan 8.230 nan 0.000 0.410 473 S N -1.041 114.763 115.700 0.173 0.000 2.588 473 S HA 1.002 5.472 4.470 -0.000 0.000 0.269 473 S C -0.599 174.232 174.600 0.385 0.000 1.157 473 S CA -0.187 58.171 58.200 0.263 0.000 0.824 473 S CB 1.367 64.723 63.200 0.261 0.000 1.126 473 S HN 1.516 nan 8.310 nan 0.000 0.464 474 G N -0.042 109.001 108.800 0.405 0.000 2.692 474 G HA2 0.536 4.496 3.960 -0.000 0.000 0.291 474 G HA3 0.536 4.496 3.960 -0.000 0.000 0.291 474 G C -0.085 174.952 174.900 0.229 0.000 1.423 474 G CA -0.909 44.396 45.100 0.342 0.000 0.843 474 G HN 0.450 nan 8.290 nan 0.000 0.486 475 R N -0.193 120.307 120.500 0.000 0.000 2.075 475 R HA 0.060 4.400 4.340 -0.000 0.000 0.232 475 R C 0.707 176.989 176.300 -0.029 0.000 1.126 475 R CA 1.516 57.511 56.100 -0.174 0.000 0.963 475 R CB -0.515 29.551 30.300 -0.391 0.000 0.858 475 R HN 0.786 nan 8.270 nan 0.000 0.435 476 D N -1.491 118.830 120.400 -0.133 0.000 2.467 476 D HA 0.091 4.731 4.640 -0.000 0.000 0.245 476 D C 0.766 176.688 176.300 -0.631 0.000 1.038 476 D CA -0.687 53.092 54.000 -0.368 0.000 1.038 476 D CB 0.647 41.313 40.800 -0.223 0.000 1.278 476 D HN -0.183 nan 8.370 nan 0.000 0.564 477 E N -0.306 119.364 120.200 -0.884 0.000 2.023 477 E HA -0.318 4.032 4.350 -0.000 0.000 0.196 477 E C 1.865 178.321 176.600 -0.240 0.000 1.003 477 E CA 2.014 58.088 56.400 -0.543 0.000 0.809 477 E CB -0.099 29.426 29.700 -0.291 0.000 0.755 477 E HN 0.601 nan 8.360 nan 0.000 0.449 478 Q N 0.072 119.754 119.800 -0.197 0.000 2.152 478 Q HA -0.137 4.203 4.340 -0.000 0.000 0.206 478 Q C 0.652 176.565 176.000 -0.145 0.000 0.985 478 Q CA 1.034 56.756 55.803 -0.135 0.000 0.863 478 Q CB -0.295 28.374 28.738 -0.115 0.000 0.904 478 Q HN 0.351 nan 8.270 nan 0.000 0.422 482 A N 1.473 124.231 122.820 -0.102 0.000 1.933 482 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 482 A C 2.037 179.551 177.584 -0.118 0.000 1.175 482 A CA 1.885 53.854 52.037 -0.114 0.000 0.628 482 A CB -0.356 18.549 19.000 -0.158 0.000 0.814 482 A HN 0.262 nan 8.150 nan 0.000 0.444 483 Q N -0.079 119.636 119.800 -0.142 0.000 2.030 483 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 483 Q C 2.091 178.055 176.000 -0.060 0.000 0.986 483 Q CA 2.380 58.114 55.803 -0.115 0.000 0.843 483 Q CB -0.588 28.094 28.738 -0.094 0.000 0.904 483 Q HN 0.561 nan 8.270 nan 0.000 0.420 484 A N -0.231 122.564 122.820 -0.042 0.000 1.978 484 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 484 A C 2.231 179.803 177.584 -0.019 0.000 1.170 484 A CA 1.652 53.676 52.037 -0.022 0.000 0.636 484 A CB -1.363 17.629 19.000 -0.013 0.000 0.810 484 A HN 0.580 nan 8.150 nan 0.000 0.448 485 G N -0.373 108.410 108.800 -0.028 0.000 2.433 485 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 485 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 485 G C 1.730 176.626 174.900 -0.006 0.000 1.186 485 G CA 0.953 46.042 45.100 -0.018 0.000 0.779 485 G HN 0.549 nan 8.290 nan 0.000 0.543 486 R N -0.444 120.046 120.500 -0.017 0.000 2.120 486 R HA 0.092 4.432 4.340 -0.000 0.000 0.234 486 R C 2.482 178.799 176.300 0.028 0.000 1.123 486 R CA 0.468 56.569 56.100 0.002 0.000 0.975 486 R CB -0.333 29.953 30.300 -0.022 0.000 0.866 486 R HN 0.208 nan 8.270 nan 0.000 0.446 487 L N 0.208 121.436 121.223 0.008 0.000 2.046 487 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 487 L C 2.377 179.288 176.870 0.069 0.000 1.077 487 L CA 1.984 56.843 54.840 0.033 0.000 0.747 487 L CB -1.411 40.647 42.059 -0.001 0.000 0.896 487 L HN 0.227 nan 8.230 nan 0.000 0.432 488 A N -0.496 122.346 122.820 0.038 0.000 1.902 488 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 488 A C 2.010 179.619 177.584 0.041 0.000 1.181 488 A CA 1.868 53.925 52.037 0.032 0.000 0.623 488 A CB -0.481 18.528 19.000 0.016 0.000 0.818 488 A HN 0.382 nan 8.150 nan 0.000 0.443 489 D N -1.698 118.731 120.400 0.050 0.000 2.178 489 D HA -0.127 4.513 4.640 -0.000 0.000 0.202 489 D C 1.754 178.096 176.300 0.071 0.000 0.974 489 D CA 1.138 55.168 54.000 0.050 0.000 0.841 489 D CB -0.453 40.377 40.800 0.048 0.000 0.953 489 D HN 0.694 nan 8.370 nan 0.000 0.478 490 H N 0.302 119.375 119.070 0.005 0.000 2.293 490 H HA -0.109 4.447 4.556 0.000 0.000 0.300 490 H C 2.004 177.335 175.328 0.006 0.000 1.082 490 H CA 0.841 56.893 56.048 0.007 0.000 1.308 490 H CB 0.084 29.848 29.762 0.003 0.000 1.375 490 H HN 0.012 nan 8.280 nan 0.000 0.495 491 L N 1.158 122.392 121.223 0.020 0.000 1.976 491 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 491 L C 3.091 179.923 176.870 -0.063 0.000 1.071 491 L CA 1.904 56.719 54.840 -0.042 0.000 0.746 491 L CB -1.475 40.601 42.059 0.028 0.000 0.890 491 L HN 0.341 nan 8.230 nan 0.000 0.432 492 A N -1.109 121.697 122.820 -0.024 0.000 2.032 492 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 492 A C 2.462 180.027 177.584 -0.032 0.000 1.165 492 A CA 1.596 53.621 52.037 -0.020 0.000 0.645 492 A CB -0.415 18.583 19.000 -0.003 0.000 0.807 492 A HN 0.362 nan 8.150 nan 0.000 0.453 493 R N -0.777 119.694 120.500 -0.049 0.000 2.054 493 R HA 0.012 4.352 4.340 -0.000 0.000 0.223 493 R C 0.204 176.471 176.300 -0.056 0.000 1.176 493 R CA 0.844 56.919 56.100 -0.041 0.000 0.934 493 R CB -0.249 30.035 30.300 -0.027 0.000 0.828 493 R HN 0.316 nan 8.270 nan 0.000 0.441 494 E N 1.086 121.227 120.200 -0.098 0.000 2.089 494 E HA 0.130 4.480 4.350 -0.000 0.000 0.284 494 E C -1.991 174.558 176.600 -0.086 0.000 1.023 494 E CA -2.752 53.599 56.400 -0.083 0.000 0.819 494 E CB 1.380 31.027 29.700 -0.087 0.000 1.076 494 E HN -0.034 nan 8.360 nan 0.000 0.396 495 P HA -0.193 nan 4.420 nan 0.000 0.217 495 P C 1.178 178.454 177.300 -0.041 0.000 1.148 495 P CA 0.980 64.056 63.100 -0.040 0.000 0.828 495 P CB 0.239 31.924 31.700 -0.024 0.000 0.783 496 R N 0.546 121.022 120.500 -0.041 0.000 2.248 496 R HA -0.199 4.141 4.340 -0.000 0.000 0.236 496 R C 0.612 176.887 176.300 -0.041 0.000 1.111 496 R CA 1.815 57.893 56.100 -0.036 0.000 0.894 496 R CB -1.271 29.008 30.300 -0.036 0.000 0.905 496 R HN 0.161 nan 8.270 nan 0.000 0.426 497 N N 1.575 120.227 118.700 -0.079 0.000 2.347 497 N HA -0.100 4.640 4.740 -0.000 0.000 0.278 497 N C -0.652 174.849 175.510 -0.016 0.000 1.367 497 N CA 0.502 53.510 53.050 -0.070 0.000 0.898 497 N CB 0.496 38.843 38.487 -0.234 0.000 1.203 497 N HN 0.259 nan 8.380 nan 0.000 0.491 498 S N 2.055 117.763 115.700 0.013 0.000 2.552 498 S HA -0.038 4.432 4.470 -0.000 0.000 0.289 498 S C 1.499 176.124 174.600 0.042 0.000 1.304 498 S CA -0.654 57.562 58.200 0.026 0.000 1.063 498 S CB 0.468 63.684 63.200 0.028 0.000 0.848 498 S HN 0.455 nan 8.310 nan 0.000 0.499 499 L N 5.626 126.877 121.223 0.046 0.000 2.093 499 L HA 0.098 4.438 4.340 -0.000 0.000 0.208 499 L C 2.519 179.440 176.870 0.086 0.000 1.085 499 L CA 1.723 56.599 54.840 0.060 0.000 0.755 499 L CB -0.595 41.499 42.059 0.058 0.000 0.904 499 L HN 0.786 nan 8.230 nan 0.000 0.435 500 R N -0.707 119.855 120.500 0.104 0.000 2.075 500 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 500 R C 1.700 178.037 176.300 0.063 0.000 1.126 500 R CA 1.629 57.832 56.100 0.171 0.000 0.963 500 R CB -0.135 30.266 30.300 0.168 0.000 0.858 500 R HN 0.435 nan 8.270 nan 0.000 0.435 501 D N -0.757 119.665 120.400 0.036 0.000 2.194 501 D HA -0.073 4.567 4.640 -0.000 0.000 0.204 501 D C 1.651 177.950 176.300 -0.001 0.000 0.964 501 D CA 1.246 55.268 54.000 0.037 0.000 0.846 501 D CB -0.156 40.671 40.800 0.045 0.000 0.962 501 D HN 0.221 nan 8.370 nan 0.000 0.490 502 T N 0.430 114.981 114.554 -0.005 0.000 2.674 502 T HA -0.096 4.254 4.350 -0.000 0.000 0.265 502 T C 2.064 176.672 174.700 -0.155 0.000 1.039 502 T CA 1.543 63.622 62.100 -0.035 0.000 1.150 502 T CB -0.672 68.223 68.868 0.045 0.000 0.864 502 T HN 0.245 nan 8.240 nan 0.000 0.427 503 G N 0.844 109.541 108.800 -0.173 0.000 2.446 503 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 503 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 503 G C 1.388 175.806 174.900 -0.805 0.000 1.168 503 G CA 0.708 45.622 45.100 -0.310 0.000 0.771 503 G HN 0.471 nan 8.290 nan 0.000 0.551 504 F N 2.306 121.494 119.950 -1.269 0.000 2.134 504 F HA -0.071 4.456 4.527 0.000 0.000 0.299 504 F C 2.779 178.248 175.800 -0.552 0.000 1.097 504 F CA 2.134 59.392 58.000 -1.236 0.000 1.264 504 F CB -0.653 37.868 39.000 -0.798 0.000 1.001 504 F HN 0.116 nan 8.300 nan 0.000 0.479 505 T N 1.674 115.897 114.554 -0.551 0.000 2.737 505 T HA -0.164 4.186 4.350 -0.000 0.000 0.265 505 T C 2.235 176.680 174.700 -0.425 0.000 1.038 505 T CA 1.651 63.456 62.100 -0.492 0.000 1.144 505 T CB -0.681 68.047 68.868 -0.232 0.000 0.866 505 T HN 0.266 nan 8.240 nan 0.000 0.434 506 L N 0.589 121.600 121.223 -0.354 0.000 2.081 506 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 506 L C 2.858 179.545 176.870 -0.304 0.000 1.080 506 L CA 1.419 56.089 54.840 -0.283 0.000 0.754 506 L CB -0.489 41.415 42.059 -0.259 0.000 0.893 506 L HN 0.301 nan 8.230 nan 0.000 0.433 507 A N -1.117 121.463 122.820 -0.401 0.000 2.030 507 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 507 A C 2.211 179.665 177.584 -0.217 0.000 1.164 507 A CA 1.376 53.218 52.037 -0.325 0.000 0.697 507 A CB -0.336 18.490 19.000 -0.290 0.000 0.827 507 A HN 0.476 nan 8.150 nan 0.000 0.457 508 T N -4.766 109.557 114.554 -0.384 0.000 2.990 508 T HA 0.197 4.547 4.350 -0.000 0.000 0.249 508 T C 1.042 175.572 174.700 -0.284 0.000 1.039 508 T CA -0.039 61.857 62.100 -0.341 0.000 1.036 508 T CB 0.176 68.689 68.868 -0.592 0.000 0.994 508 T HN 0.198 nan 8.240 nan 0.000 0.489 509 R N 0.914 121.233 120.500 -0.303 0.000 2.690 509 R HA 0.458 4.798 4.340 -0.000 0.000 0.419 509 R C -0.413 175.796 176.300 -0.152 0.000 1.090 509 R CA -0.265 55.701 56.100 -0.222 0.000 1.064 509 R CB 0.560 30.708 30.300 -0.254 0.000 1.391 509 R HN 0.169 nan 8.270 nan 0.000 0.586 510 R N 0.063 120.481 120.500 -0.137 0.000 2.668 510 R HA 0.353 4.693 4.340 -0.000 0.000 0.272 510 R C -0.638 175.582 176.300 -0.132 0.000 1.019 510 R CA -0.633 55.417 56.100 -0.084 0.000 0.894 510 R CB 2.078 32.343 30.300 -0.059 0.000 1.228 510 R HN -0.060 nan 8.270 nan 0.000 0.460 511 S N 1.029 116.614 115.700 -0.191 0.000 2.562 511 S HA 0.278 4.748 4.470 -0.000 0.000 0.281 511 S C 0.206 174.422 174.600 -0.640 0.000 1.333 511 S CA -0.394 57.474 58.200 -0.553 0.000 1.052 511 S CB 0.942 63.535 63.200 -1.011 0.000 0.884 511 S HN 0.580 nan 8.310 nan 0.000 0.506 512 A N 3.458 125.963 122.820 -0.525 0.000 2.621 512 A HA 0.436 4.756 4.320 -0.000 0.000 0.329 512 A C -0.268 177.149 177.584 -0.279 0.000 1.458 512 A CA -0.820 51.063 52.037 -0.257 0.000 1.052 512 A CB -0.310 18.649 19.000 -0.069 0.000 1.142 512 A HN 0.857 nan 8.150 nan 0.000 0.523 513 W N 0.186 121.509 121.300 0.038 0.000 1.835 513 W HA 0.297 4.957 4.660 0.000 0.000 0.458 513 W C 1.620 178.128 176.519 -0.019 0.000 1.983 513 W CA -0.556 56.788 57.345 -0.003 0.000 2.219 513 W CB 0.478 29.959 29.460 0.036 0.000 1.539 513 W HN 0.685 nan 8.180 nan 0.000 0.760 514 E N -0.528 119.853 120.200 0.302 0.000 2.046 514 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 514 E C 0.111 176.712 176.600 0.002 0.000 0.982 514 E CA 0.844 57.298 56.400 0.090 0.000 0.800 514 E CB -0.174 29.562 29.700 0.059 0.000 0.756 514 E HN 0.284 nan 8.360 nan 0.000 0.449 515 H N 0.925 120.049 119.070 0.091 0.000 2.652 515 H HA 0.306 4.862 4.556 -0.000 0.000 0.298 515 H C -0.325 175.054 175.328 0.085 0.000 1.076 515 H CA -0.033 56.054 56.048 0.064 0.000 1.360 515 H CB 0.619 30.409 29.762 0.047 0.000 1.421 515 H HN 0.018 nan 8.280 nan 0.000 0.464 516 R N 1.725 122.304 120.500 0.131 0.000 2.621 516 R HA 0.656 4.996 4.340 -0.000 0.000 0.292 516 R C -0.963 175.420 176.300 0.138 0.000 0.969 516 R CA -0.846 55.337 56.100 0.137 0.000 0.887 516 R CB 2.358 32.706 30.300 0.080 0.000 1.180 516 R HN 0.576 nan 8.270 nan 0.000 0.450 517 A N 2.062 124.967 122.820 0.142 0.000 2.374 517 A HA 0.733 5.053 4.320 -0.000 0.000 0.317 517 A C -0.994 176.647 177.584 0.095 0.000 1.094 517 A CA -0.684 51.415 52.037 0.104 0.000 0.765 517 A CB 1.738 20.777 19.000 0.065 0.000 1.268 517 A HN 0.395 nan 8.150 nan 0.000 0.438 518 V N 2.126 122.082 119.914 0.071 0.000 2.482 518 V HA 0.414 4.534 4.120 -0.000 0.000 0.295 518 V C -0.643 175.449 176.094 -0.003 0.000 1.026 518 V CA -0.539 61.763 62.300 0.004 0.000 0.856 518 V CB 1.362 33.210 31.823 0.042 0.000 1.001 518 V HN 0.656 nan 8.190 nan 0.000 0.424 519 V N 5.617 125.510 119.914 -0.035 0.000 2.398 519 V HA 0.567 4.687 4.120 -0.000 0.000 0.286 519 V C -0.189 175.892 176.094 -0.022 0.000 1.026 519 V CA -0.519 61.772 62.300 -0.015 0.000 0.868 519 V CB 1.894 33.709 31.823 -0.012 0.000 0.982 519 V HN 0.635 nan 8.190 nan 0.000 0.443 520 V N 3.689 123.605 119.914 0.004 0.000 2.487 520 V HA 1.039 5.159 4.120 -0.000 0.000 0.298 520 V C 0.444 176.555 176.094 0.028 0.000 1.028 520 V CA 0.095 62.408 62.300 0.021 0.000 0.860 520 V CB 1.096 32.951 31.823 0.053 0.000 0.991 520 V HN 1.189 nan 8.190 nan 0.000 0.427 521 G N 3.446 112.266 108.800 0.034 0.000 2.320 521 G HA2 0.413 4.373 3.960 -0.000 0.000 0.297 521 G HA3 0.413 4.373 3.960 -0.000 0.000 0.297 521 G C -1.535 173.385 174.900 0.034 0.000 1.344 521 G CA -0.308 44.811 45.100 0.032 0.000 0.851 521 G HN 0.858 nan 8.290 nan 0.000 0.567 522 D N -0.700 119.718 120.400 0.030 0.000 2.414 522 D HA 0.430 5.070 4.640 -0.000 0.000 0.251 522 D C 1.671 177.986 176.300 0.025 0.000 1.252 522 D CA -0.340 53.678 54.000 0.030 0.000 0.999 522 D CB 0.549 41.365 40.800 0.026 0.000 1.093 522 D HN 0.578 nan 8.370 nan 0.000 0.515 523 R N 0.105 120.620 120.500 0.024 0.000 2.162 523 R HA -0.251 4.089 4.340 -0.000 0.000 0.245 523 R C 1.213 177.521 176.300 0.014 0.000 1.129 523 R CA 2.497 58.608 56.100 0.019 0.000 0.940 523 R CB -1.140 29.168 30.300 0.014 0.000 0.875 523 R HN 0.555 nan 8.270 nan 0.000 0.437 524 D N -0.171 120.236 120.400 0.012 0.000 2.144 524 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 524 D C 1.811 178.116 176.300 0.009 0.000 0.978 524 D CA 1.597 55.602 54.000 0.009 0.000 0.833 524 D CB -0.225 40.579 40.800 0.007 0.000 0.961 524 D HN 0.551 nan 8.370 nan 0.000 0.470 525 E N 0.438 120.644 120.200 0.011 0.000 2.152 525 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 525 E C 2.049 178.656 176.600 0.011 0.000 0.983 525 E CA 0.737 57.144 56.400 0.011 0.000 0.818 525 E CB 0.026 29.733 29.700 0.013 0.000 0.758 525 E HN 0.189 nan 8.360 nan 0.000 0.467 526 A N 1.217 124.045 122.820 0.013 0.000 1.898 526 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 526 A C 2.160 179.750 177.584 0.010 0.000 1.181 526 A CA 0.906 52.950 52.037 0.011 0.000 0.620 526 A CB -0.612 18.397 19.000 0.015 0.000 0.819 526 A HN 0.165 nan 8.150 nan 0.000 0.442 527 L N -0.811 120.419 121.223 0.010 0.000 2.012 527 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 527 L C 3.084 179.958 176.870 0.007 0.000 1.073 527 L CA 1.293 56.138 54.840 0.009 0.000 0.748 527 L CB -0.403 41.661 42.059 0.007 0.000 0.891 527 L HN 0.468 nan 8.230 nan 0.000 0.431 528 A N -0.437 122.387 122.820 0.006 0.000 1.930 528 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 528 A C 2.311 179.898 177.584 0.005 0.000 1.175 528 A CA 1.499 53.539 52.037 0.005 0.000 0.627 528 A CB -1.071 17.931 19.000 0.004 0.000 0.815 528 A HN 0.472 nan 8.150 nan 0.000 0.443 529 G N -0.232 108.571 108.800 0.006 0.000 2.408 529 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.217 529 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.217 529 G C 1.539 176.442 174.900 0.005 0.000 1.150 529 G CA 0.955 46.058 45.100 0.006 0.000 0.776 529 G HN 0.419 nan 8.290 nan 0.000 0.542 530 L N -0.192 121.034 121.223 0.004 0.000 2.027 530 L HA -0.005 4.335 4.340 -0.000 0.000 0.206 530 L C 3.139 180.010 176.870 0.001 0.000 1.074 530 L CA 0.915 55.757 54.840 0.002 0.000 0.745 530 L CB -0.299 41.762 42.059 0.004 0.000 0.898 530 L HN 0.098 nan 8.230 nan 0.000 0.433 531 R N -0.101 120.401 120.500 0.002 0.000 2.120 531 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 531 R C 2.348 178.647 176.300 -0.000 0.000 1.123 531 R CA 1.177 57.277 56.100 0.001 0.000 0.975 531 R CB -0.473 29.828 30.300 0.002 0.000 0.866 531 R HN 0.375 nan 8.270 nan 0.000 0.446 532 A N 0.935 123.756 122.820 0.002 0.000 1.845 532 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 532 A C 2.385 179.970 177.584 0.002 0.000 1.195 532 A CA 1.436 53.475 52.037 0.002 0.000 0.616 532 A CB -0.743 18.259 19.000 0.005 0.000 0.832 532 A HN 0.091 nan 8.150 nan 0.000 0.443 533 V N 0.155 120.071 119.914 0.004 0.000 2.324 533 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 533 V C 3.042 179.134 176.094 -0.003 0.000 1.060 533 V CA 2.086 64.389 62.300 0.005 0.000 1.042 533 V CB -1.336 30.493 31.823 0.010 0.000 0.650 533 V HN 0.637 nan 8.190 nan 0.000 0.450 534 A N -0.585 122.231 122.820 -0.007 0.000 1.978 534 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 534 A C 1.606 179.181 177.584 -0.015 0.000 1.170 534 A CA 2.060 54.088 52.037 -0.015 0.000 0.636 534 A CB -0.420 18.572 19.000 -0.014 0.000 0.810 534 A HN 0.541 nan 8.150 nan 0.000 0.448 535 D N -1.503 118.892 120.400 -0.009 0.000 2.615 535 D HA 0.397 5.037 4.640 -0.000 0.000 0.236 535 D C 1.083 177.379 176.300 -0.006 0.000 1.233 535 D CA 0.829 54.824 54.000 -0.009 0.000 0.829 535 D CB -0.207 40.589 40.800 -0.007 0.000 1.024 535 D HN 0.453 nan 8.370 nan 0.000 0.490 536 G N 0.955 109.752 108.800 -0.005 0.000 2.187 536 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.261 536 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.261 536 G C 0.677 175.580 174.900 0.004 0.000 1.000 536 G CA 0.436 45.536 45.100 -0.001 0.000 0.718 536 G HN 0.373 nan 8.290 nan 0.000 0.519 537 R N -0.795 119.707 120.500 0.004 0.000 3.024 537 R HA 0.877 5.217 4.340 -0.000 0.000 0.224 537 R C 0.301 176.607 176.300 0.009 0.000 1.490 537 R CA -0.448 55.655 56.100 0.006 0.000 1.057 537 R CB 0.813 31.114 30.300 0.003 0.000 1.723 537 R HN 0.581 nan 8.270 nan 0.000 0.520 538 I N -2.544 118.031 120.570 0.009 0.000 2.752 538 I HA 0.741 4.911 4.170 -0.000 0.000 0.295 538 I C -0.911 175.211 176.117 0.008 0.000 1.219 538 I CA -0.997 60.310 61.300 0.011 0.000 1.030 538 I CB 2.385 40.393 38.000 0.014 0.000 1.259 538 I HN 0.628 nan 8.210 nan 0.000 0.423 539 A N 2.969 125.795 122.820 0.009 0.000 2.373 539 A HA 0.665 4.985 4.320 -0.000 0.000 0.291 539 A C -0.853 176.736 177.584 0.008 0.000 1.171 539 A CA -0.514 51.527 52.037 0.007 0.000 0.922 539 A CB 0.783 19.787 19.000 0.006 0.000 1.400 539 A HN 0.797 nan 8.150 nan 0.000 0.474 540 D N -0.799 119.604 120.400 0.006 0.000 2.423 540 D HA 0.375 5.015 4.640 -0.000 0.000 0.238 540 D C 0.154 176.460 176.300 0.010 0.000 1.142 540 D CA 1.049 55.053 54.000 0.005 0.000 0.884 540 D CB 0.175 40.975 40.800 0.001 0.000 1.199 540 D HN 0.484 nan 8.370 nan 0.000 0.438 541 R N 0.169 120.676 120.500 0.013 0.000 3.416 541 R HA -0.158 4.182 4.340 -0.000 0.000 0.263 541 R C -0.717 175.597 176.300 0.024 0.000 1.053 541 R CA 0.897 57.009 56.100 0.020 0.000 0.705 541 R CB -2.049 28.264 30.300 0.022 0.000 1.124 541 R HN 0.286 nan 8.270 nan 0.000 0.444 542 T N -0.388 114.181 114.554 0.025 0.000 2.824 542 T HA 0.778 5.128 4.350 -0.000 0.000 0.282 542 T C -0.350 174.374 174.700 0.040 0.000 0.993 542 T CA -0.043 62.074 62.100 0.029 0.000 0.967 542 T CB 1.757 70.638 68.868 0.022 0.000 0.960 542 T HN 0.348 nan 8.240 nan 0.000 0.441 543 A N 2.364 125.217 122.820 0.055 0.000 2.350 543 A HA 0.853 5.173 4.320 -0.000 0.000 0.324 543 A C -0.066 177.565 177.584 0.077 0.000 1.118 543 A CA -0.729 51.351 52.037 0.071 0.000 0.783 543 A CB 1.642 20.700 19.000 0.097 0.000 1.236 543 A HN 0.690 nan 8.150 nan 0.000 0.457 544 T N 0.341 114.936 114.554 0.069 0.000 2.893 544 T HA 0.769 5.119 4.350 -0.000 0.000 0.293 544 T C -0.218 174.517 174.700 0.059 0.000 1.027 544 T CA 0.288 62.429 62.100 0.070 0.000 0.988 544 T CB 1.431 70.336 68.868 0.061 0.000 1.043 544 T HN 1.938 nan 8.240 nan 0.000 0.461 545 G N 2.326 111.156 108.800 0.050 0.000 2.576 545 G HA2 0.526 4.486 3.960 -0.000 0.000 0.290 545 G HA3 0.526 4.486 3.960 -0.000 0.000 0.290 545 G C -1.994 172.871 174.900 -0.057 0.000 1.442 545 G CA -0.769 44.336 45.100 0.008 0.000 0.792 545 G HN 0.732 nan 8.290 nan 0.000 0.491 546 Q N -0.085 119.643 119.800 -0.120 0.000 2.325 546 Q HA 0.633 4.973 4.340 -0.000 0.000 0.262 546 Q C 0.121 176.031 176.000 -0.150 0.000 0.968 546 Q CA -0.615 55.042 55.803 -0.243 0.000 0.877 546 Q CB 2.224 30.776 28.738 -0.310 0.000 1.253 546 Q HN 0.818 nan 8.270 nan 0.000 0.448 547 A N 3.342 126.075 122.820 -0.145 0.000 2.286 547 A HA 0.739 5.059 4.320 -0.000 0.000 0.286 547 A C -0.258 177.272 177.584 -0.091 0.000 1.097 547 A CA -0.273 51.695 52.037 -0.115 0.000 0.821 547 A CB 0.668 19.580 19.000 -0.147 0.000 1.076 547 A HN 0.797 nan 8.150 nan 0.000 0.490 548 R N -0.904 119.552 120.500 -0.073 0.000 2.764 548 R HA 0.458 4.798 4.340 -0.000 0.000 0.270 548 R C -1.023 175.246 176.300 -0.052 0.000 1.014 548 R CA -0.747 55.320 56.100 -0.055 0.000 0.904 548 R CB 1.458 31.731 30.300 -0.044 0.000 1.236 548 R HN 0.601 nan 8.270 nan 0.000 0.466 549 T N 2.838 117.366 114.554 -0.043 0.000 2.765 549 T HA 0.091 4.441 4.350 -0.000 0.000 0.284 549 T C -0.312 174.360 174.700 -0.047 0.000 0.946 549 T CA 0.419 62.494 62.100 -0.042 0.000 1.185 549 T CB -0.108 68.738 68.868 -0.037 0.000 0.887 549 T HN 0.146 nan 8.240 nan 0.000 0.532 550 R N 4.629 125.100 120.500 -0.048 0.000 2.320 550 R HA 0.462 4.802 4.340 -0.000 0.000 0.319 550 R C -0.332 175.930 176.300 -0.064 0.000 0.969 550 R CA -0.669 55.397 56.100 -0.056 0.000 0.857 550 R CB 1.674 31.945 30.300 -0.047 0.000 1.160 550 R HN 0.431 nan 8.270 nan 0.000 0.491 551 R N 0.747 121.192 120.500 -0.091 0.000 2.473 551 R HA 0.435 4.775 4.340 -0.000 0.000 0.303 551 R C -0.564 175.618 176.300 -0.196 0.000 1.002 551 R CA -0.327 55.708 56.100 -0.109 0.000 0.884 551 R CB 2.173 32.417 30.300 -0.094 0.000 1.173 551 R HN 0.892 nan 8.270 nan 0.000 0.464 552 G N 1.760 110.461 108.800 -0.166 0.000 2.328 552 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.244 552 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.244 552 G C -0.972 173.997 174.900 0.116 0.000 1.317 552 G CA -0.942 44.043 45.100 -0.191 0.000 1.261 552 G HN 0.374 nan 8.290 nan 0.000 0.648 553 V N 0.850 120.831 119.914 0.112 0.000 2.406 553 V HA 0.805 4.925 4.120 -0.000 0.000 0.272 553 V C 0.905 176.974 176.094 -0.043 0.000 1.043 553 V CA 0.361 62.654 62.300 -0.011 0.000 0.915 553 V CB 0.868 32.669 31.823 -0.038 0.000 0.988 553 V HN 1.402 nan 8.190 nan 0.000 0.466 557 F N 5.338 125.398 119.950 0.184 0.000 2.532 557 F HA 0.585 5.112 4.527 -0.000 0.000 0.365 557 F C -2.010 173.898 175.800 0.179 0.000 1.112 557 F CA -2.105 55.996 58.000 0.168 0.000 1.082 557 F CB 1.804 40.914 39.000 0.184 0.000 1.319 557 F HN 0.272 nan 8.300 nan 0.000 0.457 558 P HA 0.291 nan 4.420 nan 0.000 0.286 558 P C 0.322 177.701 177.300 0.130 0.000 1.293 558 P CA -0.013 63.130 63.100 0.072 0.000 0.770 558 P CB 1.263 32.918 31.700 -0.074 0.000 1.206 559 G N -0.919 107.891 108.800 0.017 0.000 3.387 559 G HA2 0.112 4.072 3.960 -0.000 0.000 0.195 559 G HA3 0.112 4.072 3.960 -0.000 0.000 0.195 559 G C 0.190 175.142 174.900 0.086 0.000 1.853 559 G CA -0.062 45.111 45.100 0.122 0.000 0.879 559 G HN 0.439 nan 8.290 nan 0.000 0.651 564 W N 0.681 121.966 121.300 -0.025 0.000 3.032 564 W HA 0.553 5.213 4.660 -0.000 0.000 0.341 564 W C 0.193 176.694 176.519 -0.030 0.000 1.202 564 W CA -0.855 56.460 57.345 -0.051 0.000 1.132 564 W CB 1.220 30.634 29.460 -0.077 0.000 1.465 564 W HN 0.904 nan 8.180 nan 0.000 0.576 565 Q N 0.756 120.660 119.800 0.174 0.000 2.079 565 Q HA 0.079 4.419 4.340 -0.000 0.000 0.200 565 Q C 1.292 177.249 176.000 -0.071 0.000 0.974 565 Q CA 1.687 57.504 55.803 0.024 0.000 0.840 565 Q CB -0.329 28.445 28.738 0.060 0.000 0.898 565 Q HN 0.644 nan 8.270 nan 0.000 0.430 569 R N 0.962 121.419 120.500 -0.072 0.000 2.057 569 R HA -0.102 4.238 4.340 -0.000 0.000 0.229 569 R C 1.208 177.513 176.300 0.007 0.000 1.136 569 R CA 1.888 57.983 56.100 -0.008 0.000 0.952 569 R CB -0.169 30.129 30.300 -0.004 0.000 0.848 569 R HN 0.555 nan 8.270 nan 0.000 0.430 570 D N 0.790 121.198 120.400 0.013 0.000 2.117 570 D HA -0.190 4.450 4.640 -0.000 0.000 0.197 570 D C 1.780 178.048 176.300 -0.053 0.000 0.987 570 D CA 0.876 54.879 54.000 0.005 0.000 0.829 570 D CB -0.130 40.693 40.800 0.038 0.000 0.961 570 D HN 0.187 nan 8.370 nan 0.000 0.460 571 L N 1.165 122.306 121.223 -0.138 0.000 2.551 571 L HA -0.007 4.333 4.340 -0.000 0.000 0.228 571 L C 1.830 178.608 176.870 -0.153 0.000 1.153 571 L CA 0.585 55.240 54.840 -0.309 0.000 0.851 571 L CB -0.315 41.326 42.059 -0.697 0.000 0.959 571 L HN 0.008 nan 8.230 nan 0.000 0.451 572 L N -0.891 120.357 121.223 0.041 0.000 2.049 572 L HA -0.131 4.209 4.340 -0.000 0.000 0.203 572 L C 2.560 179.491 176.870 0.102 0.000 1.074 572 L CA 1.453 56.406 54.840 0.188 0.000 0.749 572 L CB -0.346 41.797 42.059 0.139 0.000 0.907 572 L HN 0.307 nan 8.230 nan 0.000 0.439 573 R N -0.116 120.412 120.500 0.045 0.000 2.057 573 R HA -0.151 4.189 4.340 -0.000 0.000 0.229 573 R C 1.973 178.282 176.300 0.016 0.000 1.136 573 R CA 1.483 57.599 56.100 0.028 0.000 0.952 573 R CB -0.128 30.183 30.300 0.018 0.000 0.848 573 R HN 0.413 nan 8.270 nan 0.000 0.430 574 E N -0.166 120.031 120.200 -0.006 0.000 2.338 574 E HA -0.034 4.316 4.350 -0.000 0.000 0.197 574 E C 0.050 176.635 176.600 -0.024 0.000 1.007 574 E CA 0.422 56.810 56.400 -0.019 0.000 0.849 574 E CB 0.270 29.945 29.700 -0.043 0.000 0.774 574 E HN -0.044 nan 8.360 nan 0.000 0.506 575 S N -0.419 115.271 115.700 -0.018 0.000 2.594 575 S HA 0.174 4.644 4.470 -0.000 0.000 0.296 575 S C 0.052 174.688 174.600 0.060 0.000 1.124 575 S CA -0.666 57.530 58.200 -0.006 0.000 1.011 575 S CB 1.623 64.766 63.200 -0.095 0.000 1.016 575 S HN -0.046 nan 8.310 nan 0.000 0.485 576 Q N 3.538 123.361 119.800 0.038 0.000 2.165 576 Q HA 0.138 4.478 4.340 -0.000 0.000 0.197 576 Q C 1.734 177.753 176.000 0.032 0.000 0.952 576 Q CA 1.507 57.329 55.803 0.033 0.000 0.848 576 Q CB -0.405 28.342 28.738 0.015 0.000 0.931 576 Q HN 0.639 nan 8.270 nan 0.000 0.470 577 V N 0.941 120.873 119.914 0.030 0.000 2.324 577 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 577 V C 1.973 178.092 176.094 0.042 0.000 1.060 577 V CA 1.998 64.313 62.300 0.025 0.000 1.042 577 V CB -0.728 31.107 31.823 0.019 0.000 0.650 577 V HN 0.375 nan 8.190 nan 0.000 0.450 578 F N 1.417 121.306 119.950 -0.101 0.000 2.031 578 F HA -0.178 4.349 4.527 -0.000 0.000 0.295 578 F C 2.352 178.110 175.800 -0.070 0.000 1.133 578 F CA 1.810 59.745 58.000 -0.108 0.000 1.188 578 F CB -0.803 38.103 39.000 -0.158 0.000 0.974 578 F HN 0.071 nan 8.300 nan 0.000 0.473 579 A N -0.130 122.691 122.820 0.001 0.000 1.978 579 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 579 A C 1.927 179.446 177.584 -0.108 0.000 1.170 579 A CA 1.941 53.929 52.037 -0.081 0.000 0.636 579 A CB -1.015 18.003 19.000 0.029 0.000 0.810 579 A HN 0.523 nan 8.150 nan 0.000 0.448 580 D N -0.497 119.860 120.400 -0.072 0.000 2.084 580 D HA -0.123 4.517 4.640 -0.000 0.000 0.194 580 D C 2.242 178.485 176.300 -0.095 0.000 0.990 580 D CA 1.660 55.623 54.000 -0.061 0.000 0.826 580 D CB -0.656 40.124 40.800 -0.032 0.000 0.971 580 D HN 0.377 nan 8.370 nan 0.000 0.453 581 S N -0.081 115.541 115.700 -0.131 0.000 2.370 581 S HA -0.123 4.347 4.470 -0.000 0.000 0.226 581 S C 1.987 176.459 174.600 -0.213 0.000 1.033 581 S CA 0.616 58.722 58.200 -0.157 0.000 1.011 581 S CB -0.172 62.923 63.200 -0.175 0.000 0.852 581 S HN 0.112 nan 8.310 nan 0.000 0.457 582 I N 0.980 121.358 120.570 -0.320 0.000 2.361 582 I HA -0.070 4.100 4.170 -0.000 0.000 0.251 582 I C 2.533 178.557 176.117 -0.154 0.000 1.133 582 I CA 1.227 62.354 61.300 -0.289 0.000 1.413 582 I CB -0.991 36.786 38.000 -0.372 0.000 1.073 582 I HN 0.243 nan 8.210 nan 0.000 0.424 583 R N 1.070 121.497 120.500 -0.121 0.000 2.153 583 R HA -0.090 4.250 4.340 -0.000 0.000 0.218 583 R C 1.638 177.899 176.300 -0.066 0.000 1.072 583 R CA 0.862 56.916 56.100 -0.076 0.000 0.990 583 R CB -0.138 30.127 30.300 -0.058 0.000 0.889 583 R HN 0.301 nan 8.270 nan 0.000 0.452 584 D N -0.968 119.391 120.400 -0.069 0.000 2.183 584 D HA -0.121 4.519 4.640 -0.000 0.000 0.203 584 D C 1.655 177.924 176.300 -0.051 0.000 0.969 584 D CA 0.797 54.767 54.000 -0.050 0.000 0.842 584 D CB -0.431 40.347 40.800 -0.037 0.000 0.957 584 D HN 0.185 nan 8.370 nan 0.000 0.484 585 C N 0.780 120.037 119.300 -0.071 0.000 2.455 585 C HA -0.104 4.356 4.460 -0.000 0.000 0.281 585 C C 2.611 177.573 174.990 -0.047 0.000 1.237 585 C CA 0.665 59.653 59.018 -0.050 0.000 1.726 585 C CB -0.774 26.920 27.740 -0.077 0.000 2.068 585 C HN 0.424 nan 8.230 nan 0.000 0.466 586 E N 0.314 120.473 120.200 -0.068 0.000 2.219 586 E HA -0.261 4.089 4.350 -0.000 0.000 0.198 586 E C 2.387 178.929 176.600 -0.097 0.000 0.998 586 E CA 0.978 57.322 56.400 -0.092 0.000 0.818 586 E CB -0.196 29.459 29.700 -0.074 0.000 0.741 586 E HN 0.477 nan 8.360 nan 0.000 0.477 587 R N -0.170 120.287 120.500 -0.071 0.000 2.073 587 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 587 R C 2.247 178.507 176.300 -0.067 0.000 1.134 587 R CA 1.336 57.396 56.100 -0.067 0.000 0.952 587 R CB -0.272 29.998 30.300 -0.049 0.000 0.850 587 R HN 0.194 nan 8.270 nan 0.000 0.433 588 A N 0.667 123.461 122.820 -0.044 0.000 1.969 588 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 588 A C 2.028 179.617 177.584 0.009 0.000 1.169 588 A CA 1.022 53.049 52.037 -0.016 0.000 0.635 588 A CB -0.282 18.715 19.000 -0.004 0.000 0.810 588 A HN 0.331 nan 8.150 nan 0.000 0.445 589 L N -0.960 120.237 121.223 -0.045 0.000 2.591 589 L HA 0.076 4.416 4.340 -0.000 0.000 0.228 589 L C 2.713 179.475 176.870 -0.179 0.000 1.133 589 L CA 0.345 55.138 54.840 -0.078 0.000 0.880 589 L CB -0.315 41.624 42.059 -0.199 0.000 1.033 589 L HN 0.402 nan 8.230 nan 0.000 0.450 590 A N 1.585 124.292 122.820 -0.188 0.000 1.845 590 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 590 A C 0.126 177.556 177.584 -0.256 0.000 1.195 590 A CA 1.480 53.387 52.037 -0.217 0.000 0.616 590 A CB -1.788 17.115 19.000 -0.162 0.000 0.832 590 A HN 0.275 nan 8.150 nan 0.000 0.443 591 P HA -0.169 nan 4.420 nan 0.000 0.217 591 P C 0.352 177.365 177.300 -0.477 0.000 1.148 591 P CA 1.717 64.548 63.100 -0.448 0.000 0.828 591 P CB -0.419 30.910 31.700 -0.618 0.000 0.783 592 H N -2.293 116.687 119.070 -0.149 0.000 2.551 592 H HA 0.378 4.934 4.556 0.000 0.000 0.271 592 H C 0.279 175.503 175.328 -0.174 0.000 0.984 592 H CA -0.372 55.588 56.048 -0.146 0.000 1.164 592 H CB 0.418 30.088 29.762 -0.152 0.000 1.437 592 H HN -0.077 nan 8.280 nan 0.000 0.550 593 V N 1.642 121.446 119.914 -0.182 0.000 2.969 593 V HA 0.077 4.197 4.120 -0.000 0.000 0.304 593 V C -1.238 174.657 176.094 -0.332 0.000 1.192 593 V CA -0.964 61.149 62.300 -0.310 0.000 0.962 593 V CB 2.445 33.870 31.823 -0.663 0.000 1.045 593 V HN 0.375 nan 8.190 nan 0.000 0.428 594 D N 3.354 123.638 120.400 -0.194 0.000 3.123 594 D HA 0.243 4.883 4.640 -0.000 0.000 0.305 594 D C -0.552 175.804 176.300 0.093 0.000 1.373 594 D CA -0.224 53.740 54.000 -0.060 0.000 0.889 594 D CB 0.140 40.952 40.800 0.020 0.000 1.070 594 D HN 0.526 nan 8.370 nan 0.000 0.494 595 W N -1.121 120.173 121.300 -0.009 0.000 3.363 595 W HA 0.446 5.106 4.660 -0.000 0.000 0.306 595 W C -1.159 175.354 176.519 -0.010 0.000 1.253 595 W CA -1.190 56.150 57.345 -0.008 0.000 1.195 595 W CB 0.724 30.180 29.460 -0.005 0.000 1.366 595 W HN -0.089 nan 8.180 nan 0.000 0.551 596 S N 2.700 118.570 115.700 0.284 0.000 2.474 596 S HA 0.139 4.609 4.470 -0.000 0.000 0.276 596 S C 0.932 175.734 174.600 0.336 0.000 1.227 596 S CA -0.511 57.794 58.200 0.175 0.000 1.050 596 S CB 0.708 63.972 63.200 0.108 0.000 0.939 596 S HN 0.582 nan 8.310 nan 0.000 0.490 597 L N 4.740 126.104 121.223 0.235 0.000 2.012 597 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 597 L C 2.373 179.347 176.870 0.173 0.000 1.073 597 L CA 1.909 56.934 54.840 0.308 0.000 0.748 597 L CB -0.911 41.225 42.059 0.129 0.000 0.891 597 L HN 0.755 nan 8.230 nan 0.000 0.431 598 T N -0.499 114.109 114.554 0.091 0.000 2.622 598 T HA -0.219 4.131 4.350 -0.000 0.000 0.266 598 T C 1.416 176.152 174.700 0.060 0.000 1.047 598 T CA 1.702 63.834 62.100 0.053 0.000 1.159 598 T CB -0.359 68.526 68.868 0.028 0.000 0.863 598 T HN 0.412 nan 8.240 nan 0.000 0.422 599 D N 1.030 121.473 120.400 0.071 0.000 2.221 599 D HA -0.057 4.583 4.640 -0.000 0.000 0.204 599 D C 2.057 178.384 176.300 0.045 0.000 0.982 599 D CA 0.423 54.456 54.000 0.056 0.000 0.857 599 D CB -0.287 40.551 40.800 0.064 0.000 0.934 599 D HN 0.226 nan 8.370 nan 0.000 0.475 600 L N 0.502 121.769 121.223 0.072 0.000 2.005 600 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 600 L C 2.214 179.073 176.870 -0.020 0.000 1.072 600 L CA 1.129 55.975 54.840 0.009 0.000 0.744 600 L CB -0.338 41.732 42.059 0.018 0.000 0.895 600 L HN 0.048 nan 8.230 nan 0.000 0.433 601 L N -1.192 120.035 121.223 0.006 0.000 2.240 601 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 601 L C 2.500 179.360 176.870 -0.018 0.000 1.106 601 L CA 0.458 55.284 54.840 -0.024 0.000 0.793 601 L CB -0.321 41.741 42.059 0.005 0.000 0.927 601 L HN 0.176 nan 8.230 nan 0.000 0.446 602 S N 0.359 116.063 115.700 0.007 0.000 2.362 602 S HA -0.047 4.423 4.470 -0.000 0.000 0.221 602 S C 1.974 176.577 174.600 0.006 0.000 1.032 602 S CA 1.153 59.361 58.200 0.012 0.000 0.973 602 S CB -0.409 62.803 63.200 0.021 0.000 0.849 602 S HN 0.537 nan 8.310 nan 0.000 0.465 603 G N 0.636 109.437 108.800 0.002 0.000 2.679 603 G HA2 0.300 4.260 3.960 -0.000 0.000 0.212 603 G HA3 0.300 4.260 3.960 -0.000 0.000 0.212 603 G C 0.550 175.446 174.900 -0.008 0.000 1.137 603 G CA 0.361 45.461 45.100 -0.001 0.000 0.787 603 G HN 0.892 nan 8.290 nan 0.000 0.534 604 A N -0.082 122.727 122.820 -0.019 0.000 2.416 604 A HA -0.151 4.169 4.320 -0.000 0.000 0.293 604 A C 0.751 178.316 177.584 -0.031 0.000 1.452 604 A CA 0.606 52.627 52.037 -0.027 0.000 0.738 604 A CB -1.331 17.671 19.000 0.004 0.000 1.123 604 A HN 0.373 nan 8.150 nan 0.000 0.389 605 R N -0.435 120.032 120.500 -0.054 0.000 2.543 605 R HA 0.543 4.883 4.340 -0.000 0.000 0.268 605 R C -2.533 173.724 176.300 -0.072 0.000 1.067 605 R CA -2.129 53.933 56.100 -0.062 0.000 1.142 605 R CB -0.427 29.822 30.300 -0.085 0.000 1.110 605 R HN 0.315 nan 8.270 nan 0.000 0.549 606 P HA -0.033 nan 4.420 nan 0.000 0.267 606 P C -0.192 177.046 177.300 -0.104 0.000 1.201 606 P CA 0.063 63.122 63.100 -0.069 0.000 0.775 606 P CB 0.389 32.053 31.700 -0.060 0.000 0.854 607 L N 2.498 123.669 121.223 -0.087 0.000 3.083 607 L HA 0.207 4.547 4.340 -0.000 0.000 0.286 607 L C 0.278 177.105 176.870 -0.070 0.000 1.307 607 L CA 0.503 55.281 54.840 -0.102 0.000 0.897 607 L CB -0.235 41.773 42.059 -0.086 0.000 1.306 607 L HN 0.148 nan 8.230 nan 0.000 0.569 608 D N -0.484 119.876 120.400 -0.067 0.000 2.349 608 D HA 0.083 4.723 4.640 -0.000 0.000 0.224 608 D C 0.793 177.075 176.300 -0.029 0.000 1.029 608 D CA 0.380 54.355 54.000 -0.041 0.000 0.879 608 D CB 0.255 41.034 40.800 -0.036 0.000 0.906 608 D HN 0.204 nan 8.370 nan 0.000 0.528 609 R N 0.236 120.706 120.500 -0.051 0.000 2.428 609 R HA 0.349 4.689 4.340 -0.000 0.000 0.294 609 R C 0.915 177.223 176.300 0.012 0.000 1.000 609 R CA -0.466 55.618 56.100 -0.028 0.000 0.960 609 R CB 2.145 32.399 30.300 -0.077 0.000 1.076 609 R HN -0.143 nan 8.270 nan 0.000 0.475 610 V N 1.402 121.356 119.914 0.067 0.000 2.535 610 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 610 V C 1.516 177.657 176.094 0.079 0.000 1.045 610 V CA 1.699 64.067 62.300 0.114 0.000 1.058 610 V CB -0.450 31.477 31.823 0.172 0.000 0.689 610 V HN 0.804 nan 8.190 nan 0.000 0.461 611 D N 0.353 120.794 120.400 0.069 0.000 2.312 611 D HA -0.091 4.549 4.640 -0.000 0.000 0.211 611 D C 1.839 178.263 176.300 0.207 0.000 0.964 611 D CA 0.815 54.884 54.000 0.116 0.000 0.877 611 D CB -0.263 40.608 40.800 0.118 0.000 0.924 611 D HN 0.359 nan 8.370 nan 0.000 0.515 612 V N 0.330 120.271 119.914 0.044 0.000 2.374 612 V HA -0.125 3.995 4.120 -0.000 0.000 0.241 612 V C 2.731 178.798 176.094 -0.045 0.000 1.034 612 V CA 0.661 62.849 62.300 -0.188 0.000 1.037 612 V CB -0.142 31.360 31.823 -0.534 0.000 0.682 612 V HN 0.070 nan 8.190 nan 0.000 0.463 613 V N 0.060 119.960 119.914 -0.023 0.000 2.255 613 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 613 V C 2.502 178.659 176.094 0.105 0.000 1.051 613 V CA 2.219 64.531 62.300 0.021 0.000 1.018 613 V CB -0.759 31.083 31.823 0.032 0.000 0.641 613 V HN 0.584 nan 8.190 nan 0.000 0.445 614 Q N -0.405 119.471 119.800 0.127 0.000 2.020 614 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 614 Q C 0.065 176.178 176.000 0.188 0.000 0.982 614 Q CA 2.072 57.961 55.803 0.144 0.000 0.838 614 Q CB -1.331 27.469 28.738 0.103 0.000 0.899 614 Q HN 0.564 nan 8.270 nan 0.000 0.423 615 P HA -0.085 nan 4.420 nan 0.000 0.219 615 P C 0.760 178.281 177.300 0.368 0.000 1.150 615 P CA 1.615 64.867 63.100 0.253 0.000 0.814 615 P CB -0.067 31.767 31.700 0.223 0.000 0.787 616 A N -0.078 122.960 122.820 0.363 0.000 1.873 616 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 616 A C 2.229 179.924 177.584 0.185 0.000 1.186 616 A CA 1.204 53.405 52.037 0.274 0.000 0.616 616 A CB -1.676 17.430 19.000 0.177 0.000 0.823 616 A HN 0.129 nan 8.150 nan 0.000 0.442 617 L N -1.426 119.901 121.223 0.175 0.000 2.191 617 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 617 L C 2.386 179.385 176.870 0.216 0.000 1.103 617 L CA 1.527 56.462 54.840 0.159 0.000 0.769 617 L CB -0.310 41.840 42.059 0.152 0.000 0.908 617 L HN 0.600 nan 8.230 nan 0.000 0.438 618 F N 0.458 120.471 119.950 0.105 0.000 2.113 618 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 618 F C 2.340 178.195 175.800 0.092 0.000 1.103 618 F CA 1.501 59.560 58.000 0.099 0.000 1.248 618 F CB -0.386 38.639 39.000 0.041 0.000 0.999 618 F HN 0.005 nan 8.300 nan 0.000 0.475 619 A N 0.631 123.403 122.820 -0.080 0.000 1.930 619 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 619 A C 1.475 178.950 177.584 -0.182 0.000 1.175 619 A CA 1.058 52.950 52.037 -0.243 0.000 0.627 619 A CB -1.284 17.696 19.000 -0.032 0.000 0.815 619 A HN 0.181 nan 8.150 nan 0.000 0.443 623 S N 0.686 116.349 115.700 -0.061 0.000 2.395 623 S HA 0.057 4.527 4.470 -0.000 0.000 0.225 623 S C 1.805 176.508 174.600 0.171 0.000 1.027 623 S CA 1.474 59.621 58.200 -0.089 0.000 0.965 623 S CB -0.077 62.799 63.200 -0.540 0.000 0.812 623 S HN 0.452 nan 8.310 nan 0.000 0.482 624 L N 1.394 122.790 121.223 0.288 0.000 2.012 624 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 624 L C 2.852 179.927 176.870 0.342 0.000 1.073 624 L CA 1.332 56.348 54.840 0.294 0.000 0.748 624 L CB -0.813 41.411 42.059 0.274 0.000 0.891 624 L HN 0.338 nan 8.230 nan 0.000 0.431 625 A N 0.147 123.151 122.820 0.305 0.000 1.851 625 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 625 A C 2.530 180.298 177.584 0.307 0.000 1.195 625 A CA 2.064 54.298 52.037 0.329 0.000 0.622 625 A CB -0.959 18.238 19.000 0.329 0.000 0.831 625 A HN 0.428 nan 8.150 nan 0.000 0.444 626 A N -0.733 122.211 122.820 0.206 0.000 1.986 626 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 626 A C 2.203 179.879 177.584 0.153 0.000 1.171 626 A CA 1.616 53.743 52.037 0.149 0.000 0.640 626 A CB -0.565 18.485 19.000 0.084 0.000 0.811 626 A HN 0.546 nan 8.150 nan 0.000 0.451 627 L N -2.202 119.106 121.223 0.143 0.000 1.988 627 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 627 L C 2.535 179.554 176.870 0.249 0.000 1.071 627 L CA 1.758 56.618 54.840 0.033 0.000 0.744 627 L CB -0.436 41.396 42.059 -0.378 0.000 0.893 627 L HN 0.660 nan 8.230 nan 0.000 0.433 628 W N 0.374 121.840 121.300 0.276 0.000 2.308 628 W HA -0.237 4.423 4.660 0.000 0.000 0.301 628 W C 2.683 179.328 176.519 0.210 0.000 1.220 628 W CA 1.238 58.766 57.345 0.306 0.000 1.240 628 W CB -0.217 29.358 29.460 0.192 0.000 1.142 628 W HN 0.096 nan 8.180 nan 0.000 0.521 629 R N -0.106 120.626 120.500 0.387 0.000 2.236 629 R HA -0.054 4.286 4.340 -0.000 0.000 0.208 629 R C 2.277 178.677 176.300 0.167 0.000 1.036 629 R CA 1.306 57.550 56.100 0.239 0.000 1.001 629 R CB -0.494 29.912 30.300 0.178 0.000 0.896 629 R HN 0.176 nan 8.270 nan 0.000 0.464 630 S N -0.148 115.649 115.700 0.161 0.000 2.470 630 S HA -0.065 4.405 4.470 -0.000 0.000 0.225 630 S C 1.174 175.749 174.600 -0.042 0.000 1.006 630 S CA 0.448 58.676 58.200 0.047 0.000 0.934 630 S CB -0.041 63.162 63.200 0.005 0.000 0.778 630 S HN 0.370 nan 8.310 nan 0.000 0.517 631 H N 1.107 120.220 119.070 0.072 0.000 2.568 631 H HA 0.316 4.872 4.556 -0.000 0.000 0.302 631 H C 1.503 176.837 175.328 0.010 0.000 1.065 631 H CA 0.199 56.244 56.048 -0.006 0.000 1.140 631 H CB -0.218 29.474 29.762 -0.116 0.000 1.474 631 H HN 0.632 nan 8.280 nan 0.000 0.545 632 G N 1.183 110.059 108.800 0.127 0.000 2.179 632 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 632 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 632 G C 0.281 175.260 174.900 0.131 0.000 1.010 632 G CA 0.398 45.561 45.100 0.105 0.000 0.736 632 G HN 0.273 nan 8.290 nan 0.000 0.513 633 V N 1.419 121.453 119.914 0.201 0.000 2.270 633 V HA 0.353 4.473 4.120 -0.000 0.000 0.263 633 V C 0.148 176.336 176.094 0.157 0.000 1.066 633 V CA -0.760 61.662 62.300 0.203 0.000 0.857 633 V CB 1.156 33.198 31.823 0.366 0.000 1.099 633 V HN 0.302 nan 8.190 nan 0.000 0.476 634 E N 6.164 126.424 120.200 0.100 0.000 2.227 634 E HA 0.378 4.728 4.350 -0.000 0.000 0.282 634 E C -2.379 174.255 176.600 0.057 0.000 1.015 634 E CA -1.918 54.531 56.400 0.081 0.000 0.823 634 E CB 1.973 31.713 29.700 0.068 0.000 1.081 634 E HN 0.376 nan 8.360 nan 0.000 0.396 635 P HA 0.157 nan 4.420 nan 0.000 0.280 635 P C -0.270 177.075 177.300 0.074 0.000 1.244 635 P CA -0.146 62.981 63.100 0.045 0.000 0.784 635 P CB 1.303 33.038 31.700 0.058 0.000 0.913 636 A N 2.412 125.304 122.820 0.119 0.000 2.147 636 A HA 0.526 4.846 4.320 -0.000 0.000 0.211 636 A C 0.922 178.627 177.584 0.202 0.000 1.160 636 A CA 0.932 53.085 52.037 0.193 0.000 0.781 636 A CB -0.164 19.010 19.000 0.290 0.000 0.842 636 A HN 0.731 nan 8.150 nan 0.000 0.475 637 A N -1.085 121.761 122.820 0.043 0.000 2.609 637 A HA 0.654 4.974 4.320 -0.000 0.000 0.291 637 A C -0.966 176.577 177.584 -0.068 0.000 1.096 637 A CA 0.060 52.051 52.037 -0.077 0.000 0.684 637 A CB 0.954 19.681 19.000 -0.456 0.000 1.282 637 A HN 1.291 nan 8.150 nan 0.000 0.412 638 V N -1.671 118.248 119.914 0.008 0.000 2.888 638 V HA 0.897 5.017 4.120 -0.000 0.000 0.309 638 V C -0.857 175.308 176.094 0.119 0.000 1.114 638 V CA -0.814 61.543 62.300 0.095 0.000 0.940 638 V CB 1.147 33.028 31.823 0.098 0.000 1.021 638 V HN 1.196 nan 8.190 nan 0.000 0.426 639 V N 1.494 121.528 119.914 0.201 0.000 2.656 639 V HA 0.993 5.113 4.120 -0.000 0.000 0.307 639 V C 0.620 176.935 176.094 0.367 0.000 1.051 639 V CA 0.095 62.528 62.300 0.221 0.000 0.893 639 V CB 1.405 33.313 31.823 0.142 0.000 0.999 639 V HN 1.386 nan 8.190 nan 0.000 0.426 640 G N 0.625 109.625 108.800 0.333 0.000 2.498 640 G HA2 0.599 4.559 3.960 -0.000 0.000 0.312 640 G HA3 0.599 4.559 3.960 -0.000 0.000 0.312 640 G C -1.596 173.546 174.900 0.404 0.000 1.230 640 G CA -0.463 44.867 45.100 0.383 0.000 0.968 640 G HN 0.755 nan 8.290 nan 0.000 0.481 641 H N 0.943 120.187 119.070 0.290 0.000 2.646 641 H HA 0.468 5.024 4.556 0.000 0.000 0.328 641 H C 0.920 176.366 175.328 0.196 0.000 0.998 641 H CA 0.539 56.707 56.048 0.200 0.000 1.225 641 H CB 1.740 31.529 29.762 0.045 0.000 1.457 641 H HN 0.794 nan 8.280 nan 0.000 0.505 642 S N 3.393 119.201 115.700 0.179 0.000 4.155 642 S HA -0.421 4.049 4.470 -0.000 0.000 0.539 642 S C 2.040 176.836 174.600 0.327 0.000 1.841 642 S CA 2.836 61.228 58.200 0.320 0.000 4.215 642 S CB -1.267 62.209 63.200 0.461 0.000 0.531 642 S HN 0.909 nan 8.310 nan 0.000 0.461 643 Q N 1.234 121.218 119.800 0.306 0.000 2.124 643 Q HA 0.068 4.408 4.340 -0.000 0.000 0.202 643 Q C 2.294 178.460 176.000 0.277 0.000 0.977 643 Q CA 1.688 57.640 55.803 0.249 0.000 0.850 643 Q CB -1.139 27.723 28.738 0.206 0.000 0.901 643 Q HN 0.843 nan 8.270 nan 0.000 0.429 644 G N 1.393 110.385 108.800 0.320 0.000 2.479 644 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 644 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 644 G C 1.180 176.258 174.900 0.297 0.000 1.115 644 G CA 0.694 46.006 45.100 0.354 0.000 0.757 644 G HN 0.437 nan 8.290 nan 0.000 0.560 645 E N -0.175 120.222 120.200 0.329 0.000 2.267 645 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 645 E C 2.367 179.203 176.600 0.393 0.000 0.998 645 E CA 0.456 57.070 56.400 0.357 0.000 0.830 645 E CB -0.096 29.874 29.700 0.450 0.000 0.751 645 E HN 0.571 nan 8.360 nan 0.000 0.491 646 I N 0.734 121.474 120.570 0.285 0.000 2.286 646 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 646 I C 2.539 178.793 176.117 0.228 0.000 1.104 646 I CA 0.818 62.172 61.300 0.090 0.000 1.397 646 I CB -0.265 37.631 38.000 -0.173 0.000 1.072 646 I HN 0.026 nan 8.210 nan 0.000 0.417 647 A N 0.976 123.967 122.820 0.285 0.000 1.841 647 A HA -0.151 4.169 4.320 -0.000 0.000 0.214 647 A C 2.586 179.995 177.584 -0.292 0.000 1.195 647 A CA 1.880 54.009 52.037 0.154 0.000 0.611 647 A CB -1.144 17.954 19.000 0.164 0.000 0.835 647 A HN 0.381 nan 8.150 nan 0.000 0.443 648 A N 0.021 122.419 122.820 -0.703 0.000 1.881 648 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 648 A C 2.551 180.008 177.584 -0.213 0.000 1.215 648 A CA 3.079 54.679 52.037 -0.728 0.000 0.648 648 A CB -1.361 17.423 19.000 -0.361 0.000 0.832 648 A HN 1.346 nan 8.150 nan 0.000 0.455 649 A N -1.511 121.309 122.820 0.000 0.000 1.986 649 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 649 A C 2.013 179.654 177.584 0.096 0.000 1.171 649 A CA 2.425 54.518 52.037 0.093 0.000 0.640 649 A CB -0.775 18.378 19.000 0.255 0.000 0.811 649 A HN 0.875 nan 8.150 nan 0.000 0.451 650 H N -0.855 118.230 119.070 0.026 0.000 2.355 650 H HA 0.028 4.584 4.556 0.000 0.000 0.303 650 H C 1.847 177.183 175.328 0.013 0.000 1.061 650 H CA 1.615 57.693 56.048 0.050 0.000 1.368 650 H CB -0.375 29.470 29.762 0.138 0.000 1.412 650 H HN 0.057 nan 8.280 nan 0.000 0.523 651 V N 1.255 121.055 119.914 -0.189 0.000 2.250 651 V HA -0.332 3.788 4.120 -0.000 0.000 0.250 651 V C 2.628 178.639 176.094 -0.139 0.000 1.060 651 V CA 2.087 64.281 62.300 -0.178 0.000 1.030 651 V CB -1.383 30.422 31.823 -0.030 0.000 0.643 651 V HN 0.703 nan 8.190 nan 0.000 0.445 652 A N -0.422 122.342 122.820 -0.093 0.000 2.259 652 A HA 0.209 4.529 4.320 -0.000 0.000 0.212 652 A C 1.834 179.387 177.584 -0.053 0.000 1.178 652 A CA 1.100 53.111 52.037 -0.045 0.000 0.734 652 A CB -1.097 17.891 19.000 -0.020 0.000 0.774 652 A HN 1.523 nan 8.150 nan 0.000 0.481 653 G N -2.183 106.553 108.800 -0.105 0.000 2.314 653 G HA2 0.018 3.978 3.960 -0.000 0.000 0.292 653 G HA3 0.018 3.978 3.960 -0.000 0.000 0.292 653 G C 0.694 175.583 174.900 -0.018 0.000 1.059 653 G CA 0.587 45.638 45.100 -0.082 0.000 0.982 653 G HN 1.475 nan 8.290 nan 0.000 0.505 654 A N -1.009 121.817 122.820 0.009 0.000 2.167 654 A HA 0.712 5.032 4.320 -0.000 0.000 0.208 654 A C 0.958 178.584 177.584 0.070 0.000 1.198 654 A CA 0.687 52.743 52.037 0.031 0.000 0.863 654 A CB 0.489 19.503 19.000 0.023 0.000 0.904 654 A HN 0.671 nan 8.150 nan 0.000 0.484 655 L N 0.914 122.208 121.223 0.118 0.000 2.362 655 L HA 0.384 4.724 4.340 -0.000 0.000 0.271 655 L C 0.269 177.286 176.870 0.244 0.000 1.002 655 L CA -0.893 54.038 54.840 0.152 0.000 0.818 655 L CB 2.240 44.389 42.059 0.149 0.000 1.298 655 L HN 0.281 nan 8.230 nan 0.000 0.420 656 T N -0.849 113.797 114.554 0.153 0.000 2.918 656 T HA 0.090 4.440 4.350 -0.000 0.000 0.302 656 T C 1.047 175.805 174.700 0.096 0.000 1.045 656 T CA -0.623 61.571 62.100 0.157 0.000 1.114 656 T CB 1.093 70.003 68.868 0.070 0.000 0.965 656 T HN 0.495 nan 8.240 nan 0.000 0.540 657 L N 1.305 122.556 121.223 0.046 0.000 2.137 657 L HA -0.107 4.233 4.340 -0.000 0.000 0.213 657 L C 2.236 179.042 176.870 -0.105 0.000 1.085 657 L CA 1.945 56.646 54.840 -0.231 0.000 0.760 657 L CB -1.008 40.982 42.059 -0.115 0.000 0.893 657 L HN 0.796 nan 8.230 nan 0.000 0.434 658 E N -0.464 119.710 120.200 -0.043 0.000 2.046 658 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 658 E C 1.990 178.539 176.600 -0.085 0.000 0.982 658 E CA 1.273 57.654 56.400 -0.032 0.000 0.800 658 E CB -0.341 29.361 29.700 0.002 0.000 0.756 658 E HN 0.501 nan 8.360 nan 0.000 0.449 659 D N 0.185 120.532 120.400 -0.088 0.000 2.084 659 D HA -0.111 4.529 4.640 -0.000 0.000 0.194 659 D C 1.881 178.025 176.300 -0.260 0.000 0.990 659 D CA 1.587 55.502 54.000 -0.141 0.000 0.826 659 D CB -0.319 40.438 40.800 -0.073 0.000 0.971 659 D HN 0.178 nan 8.370 nan 0.000 0.453 660 A N 1.151 123.822 122.820 -0.249 0.000 1.908 660 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 660 A C 2.317 179.479 177.584 -0.705 0.000 1.181 660 A CA 2.455 54.241 52.037 -0.419 0.000 0.627 660 A CB -0.695 18.176 19.000 -0.216 0.000 0.818 660 A HN 0.254 nan 8.150 nan 0.000 0.445 661 A N -0.254 122.254 122.820 -0.520 0.000 1.877 661 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 661 A C 2.145 179.432 177.584 -0.495 0.000 1.186 661 A CA 1.983 53.729 52.037 -0.485 0.000 0.620 661 A CB -0.502 18.406 19.000 -0.154 0.000 0.822 661 A HN 0.560 nan 8.150 nan 0.000 0.443 662 K N -0.285 119.772 120.400 -0.571 0.000 2.001 662 K HA -0.170 4.150 4.320 -0.000 0.000 0.214 662 K C 2.027 178.276 176.600 -0.585 0.000 1.050 662 K CA 1.726 57.476 56.287 -0.896 0.000 0.934 662 K CB -0.467 31.531 32.500 -0.837 0.000 0.718 662 K HN 0.446 nan 8.250 nan 0.000 0.443 663 L N 0.956 121.862 121.223 -0.529 0.000 2.010 663 L HA -0.233 4.107 4.340 -0.000 0.000 0.219 663 L C 2.446 179.039 176.870 -0.462 0.000 1.077 663 L CA 1.830 56.359 54.840 -0.518 0.000 0.773 663 L CB -0.426 41.217 42.059 -0.693 0.000 0.892 663 L HN 0.236 nan 8.230 nan 0.000 0.436 664 V N -0.565 119.033 119.914 -0.527 0.000 2.759 664 V HA -0.186 3.934 4.120 -0.000 0.000 0.256 664 V C 2.415 178.366 176.094 -0.239 0.000 1.080 664 V CA 1.623 63.685 62.300 -0.397 0.000 1.101 664 V CB 0.022 31.532 31.823 -0.521 0.000 0.698 664 V HN 0.557 nan 8.190 nan 0.000 0.477 665 A N -0.732 121.935 122.820 -0.255 0.000 1.874 665 A HA -0.037 4.283 4.320 -0.000 0.000 0.214 665 A C 2.255 179.773 177.584 -0.110 0.000 1.189 665 A CA 1.696 53.651 52.037 -0.137 0.000 0.615 665 A CB -0.523 18.398 19.000 -0.131 0.000 0.830 665 A HN 0.380 nan 8.150 nan 0.000 0.443 666 V N 0.358 120.170 119.914 -0.170 0.000 2.307 666 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 666 V C 2.616 178.648 176.094 -0.104 0.000 1.045 666 V CA 2.129 64.355 62.300 -0.123 0.000 1.024 666 V CB -0.878 30.854 31.823 -0.152 0.000 0.651 666 V HN 0.668 nan 8.190 nan 0.000 0.449 667 R N 1.043 121.461 120.500 -0.138 0.000 2.119 667 R HA -0.225 4.115 4.340 -0.000 0.000 0.246 667 R C 2.390 178.632 176.300 -0.097 0.000 1.146 667 R CA 2.321 58.353 56.100 -0.113 0.000 0.962 667 R CB -0.329 29.885 30.300 -0.142 0.000 0.863 667 R HN 0.673 nan 8.270 nan 0.000 0.442 668 S N -0.547 115.103 115.700 -0.083 0.000 2.501 668 S HA 0.004 4.474 4.470 -0.000 0.000 0.220 668 S C 1.970 176.551 174.600 -0.031 0.000 0.997 668 S CA 0.091 58.258 58.200 -0.054 0.000 0.919 668 S CB -0.059 63.139 63.200 -0.004 0.000 0.778 668 S HN 0.353 nan 8.310 nan 0.000 0.523 669 R N 1.184 121.670 120.500 -0.023 0.000 2.062 669 R HA 0.008 4.348 4.340 -0.000 0.000 0.229 669 R C 1.984 178.269 176.300 -0.025 0.000 1.128 669 R CA 1.579 57.676 56.100 -0.006 0.000 0.960 669 R CB -0.624 29.676 30.300 0.001 0.000 0.855 669 R HN 0.379 nan 8.270 nan 0.000 0.432 670 V N 1.575 121.464 119.914 -0.041 0.000 2.295 670 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 670 V C 2.245 178.296 176.094 -0.071 0.000 1.049 670 V CA 1.316 63.591 62.300 -0.043 0.000 1.024 670 V CB -0.511 31.291 31.823 -0.036 0.000 0.648 670 V HN 0.313 nan 8.190 nan 0.000 0.447 671 L N 0.024 121.175 121.223 -0.120 0.000 2.549 671 L HA -0.084 4.256 4.340 -0.000 0.000 0.230 671 L C 2.300 179.049 176.870 -0.202 0.000 1.162 671 L CA 1.604 56.307 54.840 -0.228 0.000 0.834 671 L CB -0.957 40.891 42.059 -0.351 0.000 0.947 671 L HN 0.191 nan 8.230 nan 0.000 0.452 672 R N -1.114 119.332 120.500 -0.090 0.000 2.193 672 R HA -0.003 4.337 4.340 -0.000 0.000 0.213 672 R C 2.098 178.392 176.300 -0.010 0.000 1.055 672 R CA 0.468 56.552 56.100 -0.027 0.000 0.995 672 R CB 0.018 30.319 30.300 0.001 0.000 0.893 672 R HN 0.327 nan 8.270 nan 0.000 0.459 673 R N 0.113 120.599 120.500 -0.024 0.000 2.293 673 R HA -0.083 4.257 4.340 -0.000 0.000 0.219 673 R C 1.375 177.677 176.300 0.003 0.000 1.091 673 R CA 0.794 56.889 56.100 -0.007 0.000 1.004 673 R CB -0.029 30.265 30.300 -0.011 0.000 0.865 673 R HN 0.277 nan 8.270 nan 0.000 0.469 674 L N -0.095 121.127 121.223 -0.002 0.000 2.592 674 L HA 0.178 4.518 4.340 -0.000 0.000 0.227 674 L C 1.152 178.076 176.870 0.090 0.000 1.127 674 L CA -0.491 54.371 54.840 0.037 0.000 0.884 674 L CB 0.050 42.125 42.059 0.028 0.000 1.065 674 L HN 0.046 nan 8.230 nan 0.000 0.457 675 G N -0.195 108.655 108.800 0.083 0.000 2.305 675 G HA2 0.299 4.259 3.960 -0.000 0.000 0.243 675 G HA3 0.299 4.259 3.960 -0.000 0.000 0.243 675 G C 1.143 176.087 174.900 0.074 0.000 1.288 675 G CA 0.432 45.596 45.100 0.106 0.000 0.901 675 G HN 0.420 nan 8.290 nan 0.000 0.516 676 G N 1.348 110.190 108.800 0.070 0.000 2.184 676 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.264 676 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.264 676 G C 0.754 175.676 174.900 0.037 0.000 0.975 676 G CA 0.685 45.809 45.100 0.039 0.000 0.642 676 G HN 0.798 nan 8.290 nan 0.000 0.536 677 Q N -0.142 119.690 119.800 0.054 0.000 2.186 677 Q HA 0.509 4.849 4.340 -0.000 0.000 0.241 677 Q C 0.783 176.812 176.000 0.048 0.000 0.849 677 Q CA 0.287 56.118 55.803 0.046 0.000 1.053 677 Q CB 1.178 29.945 28.738 0.049 0.000 1.146 677 Q HN 1.097 nan 8.270 nan 0.000 0.475 678 G N -0.954 107.868 108.800 0.038 0.000 2.321 678 G HA2 0.467 4.427 3.960 -0.000 0.000 0.298 678 G HA3 0.467 4.427 3.960 -0.000 0.000 0.298 678 G C -1.262 173.626 174.900 -0.020 0.000 1.385 678 G CA -0.238 44.875 45.100 0.021 0.000 0.856 678 G HN 0.171 nan 8.290 nan 0.000 0.584 682 S N 1.117 116.641 115.700 -0.293 0.000 2.564 682 S HA 0.785 5.255 4.470 -0.000 0.000 0.278 682 S C -0.433 173.926 174.600 -0.401 0.000 1.333 682 S CA 0.037 58.113 58.200 -0.206 0.000 1.048 682 S CB 0.312 63.434 63.200 -0.129 0.000 0.900 682 S HN 0.529 nan 8.310 nan 0.000 0.505 683 F N 0.105 120.044 119.950 -0.019 0.000 2.563 683 F HA 0.587 5.114 4.527 0.000 0.000 0.316 683 F C 0.958 176.748 175.800 -0.017 0.000 1.076 683 F CA -0.926 57.062 58.000 -0.019 0.000 0.921 683 F CB 1.871 40.849 39.000 -0.036 0.000 1.209 683 F HN 0.779 nan 8.300 nan 0.000 0.462 684 G N 3.246 112.160 108.800 0.189 0.000 3.209 684 G HA2 0.502 4.462 3.960 -0.000 0.000 0.274 684 G HA3 0.502 4.462 3.960 -0.000 0.000 0.274 684 G C -1.190 173.755 174.900 0.076 0.000 0.850 684 G CA -0.032 45.145 45.100 0.128 0.000 1.907 684 G HN 0.424 nan 8.290 nan 0.000 0.591 685 L N -1.361 119.887 121.223 0.042 0.000 2.838 685 L HA 0.877 5.217 4.340 -0.000 0.000 0.266 685 L C 0.253 177.124 176.870 0.001 0.000 1.040 685 L CA -1.282 53.544 54.840 -0.024 0.000 0.906 685 L CB 0.498 42.460 42.059 -0.161 0.000 1.501 685 L HN 0.223 nan 8.230 nan 0.000 0.407 686 G N -0.885 107.911 108.800 -0.007 0.000 2.547 686 G HA2 0.505 4.465 3.960 -0.000 0.000 0.291 686 G HA3 0.505 4.465 3.960 -0.000 0.000 0.291 686 G C 0.301 175.198 174.900 -0.005 0.000 1.211 686 G CA 0.209 45.312 45.100 0.005 0.000 0.950 686 G HN 0.797 nan 8.290 nan 0.000 0.504 687 T N 0.384 114.941 114.554 0.004 0.000 2.595 687 T HA -0.146 4.204 4.350 -0.000 0.000 0.264 687 T C 2.205 176.899 174.700 -0.009 0.000 1.058 687 T CA 2.076 64.177 62.100 0.001 0.000 1.166 687 T CB -0.311 68.562 68.868 0.008 0.000 0.863 687 T HN 0.581 nan 8.240 nan 0.000 0.415 688 E N 0.859 121.055 120.200 -0.006 0.000 2.097 688 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 688 E C 2.454 179.042 176.600 -0.020 0.000 1.000 688 E CA 0.905 57.300 56.400 -0.009 0.000 0.804 688 E CB -0.207 29.490 29.700 -0.004 0.000 0.740 688 E HN 0.285 nan 8.360 nan 0.000 0.454 689 Q N -0.104 119.680 119.800 -0.026 0.000 2.020 689 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 689 Q C 2.172 178.128 176.000 -0.072 0.000 0.982 689 Q CA 1.828 57.603 55.803 -0.047 0.000 0.838 689 Q CB -0.292 28.412 28.738 -0.057 0.000 0.899 689 Q HN 0.326 nan 8.270 nan 0.000 0.423 690 A N 0.482 123.256 122.820 -0.076 0.000 1.872 690 A HA -0.015 4.305 4.320 -0.000 0.000 0.214 690 A C 2.326 179.874 177.584 -0.059 0.000 1.187 690 A CA 1.806 53.783 52.037 -0.100 0.000 0.614 690 A CB -0.867 18.077 19.000 -0.094 0.000 0.826 690 A HN 0.430 nan 8.150 nan 0.000 0.442 691 A N 0.981 123.782 122.820 -0.033 0.000 1.915 691 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 691 A C 1.892 179.469 177.584 -0.013 0.000 1.198 691 A CA 2.520 54.548 52.037 -0.014 0.000 0.647 691 A CB -0.719 18.276 19.000 -0.008 0.000 0.825 691 A HN 0.757 nan 8.150 nan 0.000 0.456 692 E N -0.558 119.628 120.200 -0.022 0.000 2.158 692 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 692 E C 1.963 178.545 176.600 -0.030 0.000 0.982 692 E CA 1.052 57.438 56.400 -0.024 0.000 0.823 692 E CB -0.390 29.296 29.700 -0.023 0.000 0.766 692 E HN 0.558 nan 8.360 nan 0.000 0.468 693 R N -0.170 120.307 120.500 -0.039 0.000 2.237 693 R HA 0.129 4.469 4.340 -0.000 0.000 0.219 693 R C 1.876 178.185 176.300 0.015 0.000 1.080 693 R CA 1.156 57.233 56.100 -0.039 0.000 0.995 693 R CB -0.114 30.136 30.300 -0.084 0.000 0.875 693 R HN 0.348 nan 8.270 nan 0.000 0.462 694 I N -1.407 119.187 120.570 0.040 0.000 4.032 694 I HA 0.066 4.236 4.170 -0.000 0.000 0.313 694 I C 1.687 177.919 176.117 0.193 0.000 1.272 694 I CA 0.214 61.612 61.300 0.163 0.000 1.307 694 I CB 0.373 38.407 38.000 0.055 0.000 1.155 694 I HN 0.099 nan 8.210 nan 0.000 0.431 695 G N 1.199 110.037 108.800 0.062 0.000 2.708 695 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.210 695 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.210 695 G C 1.606 176.496 174.900 -0.016 0.000 1.141 695 G CA 0.144 45.267 45.100 0.037 0.000 0.788 695 G HN 0.366 nan 8.290 nan 0.000 0.531 696 R N -0.069 120.361 120.500 -0.116 0.000 2.276 696 R HA 0.097 4.437 4.340 -0.000 0.000 0.203 696 R C 0.293 176.364 176.300 -0.383 0.000 1.017 696 R CA 0.289 56.217 56.100 -0.286 0.000 1.010 696 R CB -0.274 29.774 30.300 -0.420 0.000 0.900 696 R HN 0.311 nan 8.270 nan 0.000 0.469 697 F N 1.724 121.664 119.950 -0.015 0.000 2.916 697 F HA 0.430 4.957 4.527 0.000 0.000 0.294 697 F C 0.601 176.399 175.800 -0.004 0.000 1.189 697 F CA -0.561 57.434 58.000 -0.008 0.000 1.369 697 F CB 0.279 39.274 39.000 -0.008 0.000 0.961 697 F HN -0.018 nan 8.300 nan 0.000 0.508 698 A N 1.102 123.989 122.820 0.111 0.000 2.040 698 A HA 0.184 4.504 4.320 -0.000 0.000 0.331 698 A C 1.696 179.331 177.584 0.085 0.000 0.907 698 A CA 1.282 53.366 52.037 0.077 0.000 1.454 698 A CB -1.340 17.684 19.000 0.039 0.000 0.658 698 A HN 1.395 nan 8.150 nan 0.000 0.276 699 G N 0.496 109.347 108.800 0.085 0.000 2.217 699 G HA2 0.016 3.976 3.960 -0.000 0.000 0.246 699 G HA3 0.016 3.976 3.960 -0.000 0.000 0.246 699 G C 1.264 176.200 174.900 0.059 0.000 0.990 699 G CA 1.111 46.248 45.100 0.063 0.000 0.627 699 G HN 2.158 nan 8.290 nan 0.000 0.522 700 A N -0.448 122.419 122.820 0.078 0.000 2.014 700 A HA 0.621 4.941 4.320 -0.000 0.000 0.218 700 A C 1.180 178.754 177.584 -0.017 0.000 1.163 700 A CA 1.417 53.476 52.037 0.036 0.000 0.652 700 A CB -0.026 19.005 19.000 0.053 0.000 0.808 700 A HN 0.803 nan 8.150 nan 0.000 0.449 701 L N -1.040 120.177 121.223 -0.009 0.000 2.323 701 L HA 0.589 4.929 4.340 -0.000 0.000 0.265 701 L C -0.660 176.221 176.870 0.017 0.000 1.012 701 L CA -0.593 54.228 54.840 -0.031 0.000 0.820 701 L CB 2.381 44.380 42.059 -0.099 0.000 1.334 701 L HN -0.042 nan 8.230 nan 0.000 0.427 702 S N 1.041 116.755 115.700 0.024 0.000 2.547 702 S HA 0.540 5.010 4.470 -0.000 0.000 0.281 702 S C -0.474 174.150 174.600 0.041 0.000 1.118 702 S CA -0.547 57.676 58.200 0.038 0.000 0.947 702 S CB 1.790 65.022 63.200 0.053 0.000 1.053 702 S HN 0.378 nan 8.310 nan 0.000 0.482 703 I N 3.016 123.606 120.570 0.033 0.000 2.573 703 I HA 0.060 4.230 4.170 -0.000 0.000 0.295 703 I C 1.457 177.594 176.117 0.035 0.000 1.141 703 I CA -0.183 61.137 61.300 0.033 0.000 1.364 703 I CB 0.337 38.349 38.000 0.020 0.000 1.447 703 I HN 0.897 nan 8.210 nan 0.000 0.571 704 A N 4.991 127.837 122.820 0.043 0.000 1.968 704 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 704 A C 0.980 178.499 177.584 -0.107 0.000 1.169 704 A CA 1.213 53.261 52.037 0.017 0.000 0.638 704 A CB -0.065 18.974 19.000 0.065 0.000 0.812 704 A HN 0.688 nan 8.150 nan 0.000 0.446 705 S N -1.575 114.098 115.700 -0.045 0.000 2.533 705 S HA 0.493 4.963 4.470 -0.000 0.000 0.271 705 S C -0.911 173.710 174.600 0.035 0.000 1.143 705 S CA -0.111 58.063 58.200 -0.043 0.000 0.891 705 S CB 1.266 64.455 63.200 -0.018 0.000 1.105 705 S HN 1.358 nan 8.310 nan 0.000 0.468 706 V N 1.496 121.440 119.914 0.050 0.000 2.357 706 V HA 0.653 4.773 4.120 -0.000 0.000 0.284 706 V C -0.389 175.792 176.094 0.144 0.000 1.018 706 V CA -0.492 61.854 62.300 0.077 0.000 0.841 706 V CB 0.907 32.762 31.823 0.054 0.000 0.991 706 V HN 0.921 nan 8.190 nan 0.000 0.437 707 N N 4.151 122.935 118.700 0.139 0.000 2.397 707 N HA 0.319 5.059 4.740 -0.000 0.000 0.190 707 N C 0.608 176.229 175.510 0.185 0.000 1.099 707 N CA 0.971 54.135 53.050 0.191 0.000 0.876 707 N CB 1.684 40.196 38.487 0.041 0.000 1.143 707 N HN 0.887 nan 8.380 nan 0.000 0.468 708 G N 0.423 109.285 108.800 0.103 0.000 2.727 708 G HA2 0.390 4.350 3.960 -0.000 0.000 0.289 708 G HA3 0.390 4.350 3.960 -0.000 0.000 0.289 708 G C -2.291 172.640 174.900 0.051 0.000 1.418 708 G CA -0.725 44.418 45.100 0.071 0.000 0.818 708 G HN -0.248 nan 8.290 nan 0.000 0.486 709 P HA -0.031 nan 4.420 nan 0.000 0.220 709 P C 1.317 178.634 177.300 0.029 0.000 1.152 709 P CA 0.765 63.882 63.100 0.028 0.000 0.812 709 P CB 0.502 32.215 31.700 0.020 0.000 0.792 710 R N 0.457 120.976 120.500 0.032 0.000 2.206 710 R HA 0.111 4.451 4.340 -0.000 0.000 0.198 710 R C 0.301 176.627 176.300 0.043 0.000 0.986 710 R CA 0.315 56.437 56.100 0.037 0.000 1.029 710 R CB 0.240 30.563 30.300 0.039 0.000 0.966 710 R HN 0.120 nan 8.270 nan 0.000 0.487 711 S N 0.169 115.894 115.700 0.041 0.000 2.462 711 S HA 0.596 5.066 4.470 -0.000 0.000 0.294 711 S C -0.631 174.001 174.600 0.054 0.000 1.144 711 S CA -0.770 57.456 58.200 0.043 0.000 1.088 711 S CB 2.244 65.456 63.200 0.020 0.000 1.009 711 S HN -0.017 nan 8.310 nan 0.000 0.484 712 V N 2.841 122.799 119.914 0.074 0.000 3.012 712 V HA 0.542 4.662 4.120 -0.000 0.000 0.307 712 V C -1.114 175.050 176.094 0.117 0.000 1.166 712 V CA -0.634 61.717 62.300 0.085 0.000 0.974 712 V CB 2.419 34.286 31.823 0.073 0.000 1.040 712 V HN 0.903 nan 8.190 nan 0.000 0.428 713 V N 5.494 125.466 119.914 0.096 0.000 2.547 713 V HA 0.662 4.782 4.120 -0.000 0.000 0.299 713 V C -0.378 175.796 176.094 0.133 0.000 1.040 713 V CA -0.503 61.860 62.300 0.105 0.000 0.913 713 V CB 1.854 33.709 31.823 0.055 0.000 0.992 713 V HN 0.600 nan 8.190 nan 0.000 0.449 714 V N 2.911 122.940 119.914 0.192 0.000 2.656 714 V HA 0.884 5.004 4.120 -0.000 0.000 0.307 714 V C -0.035 176.132 176.094 0.122 0.000 1.051 714 V CA -0.443 61.954 62.300 0.163 0.000 0.893 714 V CB 1.902 33.845 31.823 0.200 0.000 0.999 714 V HN 1.045 nan 8.190 nan 0.000 0.426 715 A N 2.942 125.810 122.820 0.080 0.000 2.374 715 A HA 1.021 5.341 4.320 -0.000 0.000 0.305 715 A C -0.016 177.587 177.584 0.032 0.000 1.053 715 A CA 0.188 52.264 52.037 0.065 0.000 0.726 715 A CB 1.847 20.909 19.000 0.103 0.000 1.229 715 A HN 1.386 nan 8.150 nan 0.000 0.431 716 G N 0.553 109.357 108.800 0.007 0.000 2.500 716 G HA2 0.529 4.489 3.960 -0.000 0.000 0.299 716 G HA3 0.529 4.489 3.960 -0.000 0.000 0.299 716 G C -1.492 173.392 174.900 -0.027 0.000 1.242 716 G CA -0.689 44.397 45.100 -0.023 0.000 0.859 716 G HN 0.675 nan 8.290 nan 0.000 0.481 717 E N 1.134 121.304 120.200 -0.051 0.000 2.229 717 E HA 0.435 4.785 4.350 -0.000 0.000 0.283 717 E C 0.085 176.653 176.600 -0.053 0.000 1.030 717 E CA -0.260 56.118 56.400 -0.035 0.000 0.836 717 E CB 1.248 30.933 29.700 -0.026 0.000 1.068 717 E HN 0.541 nan 8.360 nan 0.000 0.401 718 S N 2.273 117.954 115.700 -0.032 0.000 2.596 718 S HA 0.350 4.820 4.470 -0.000 0.000 0.298 718 S C 0.918 175.501 174.600 -0.030 0.000 1.255 718 S CA -0.000 58.181 58.200 -0.032 0.000 1.083 718 S CB 0.606 63.794 63.200 -0.021 0.000 0.837 718 S HN 0.889 nan 8.310 nan 0.000 0.499 719 G N 3.941 112.718 108.800 -0.037 0.000 1.829 719 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.214 719 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.214 719 G C -2.259 172.595 174.900 -0.077 0.000 1.627 719 G CA -0.092 44.990 45.100 -0.030 0.000 1.390 719 G HN 0.542 nan 8.290 nan 0.000 0.458 720 P HA -0.019 nan 4.420 nan 0.000 0.218 720 P C 2.037 179.007 177.300 -0.551 0.000 1.146 720 P CA 1.422 64.252 63.100 -0.449 0.000 0.820 720 P CB -0.023 31.383 31.700 -0.490 0.000 0.778 721 L N -0.547 120.514 121.223 -0.270 0.000 2.131 721 L HA -0.073 4.267 4.340 -0.000 0.000 0.206 721 L C 1.416 178.261 176.870 -0.043 0.000 1.087 721 L CA 1.990 56.741 54.840 -0.148 0.000 0.767 721 L CB -1.135 40.889 42.059 -0.058 0.000 0.917 721 L HN -0.175 nan 8.230 nan 0.000 0.441 722 D N -0.285 120.094 120.400 -0.034 0.000 2.103 722 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 722 D C 2.026 178.352 176.300 0.043 0.000 0.978 722 D CA 1.310 55.320 54.000 0.016 0.000 0.829 722 D CB -0.094 40.712 40.800 0.010 0.000 0.981 722 D HN 0.435 nan 8.370 nan 0.000 0.464 723 E N 0.313 120.536 120.200 0.038 0.000 2.171 723 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 723 E C 2.125 178.801 176.600 0.126 0.000 0.997 723 E CA 0.345 56.807 56.400 0.103 0.000 0.810 723 E CB -0.023 29.791 29.700 0.191 0.000 0.738 723 E HN 0.250 nan 8.360 nan 0.000 0.467 724 L N 0.582 121.848 121.223 0.071 0.000 2.044 724 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 724 L C 2.309 179.260 176.870 0.135 0.000 1.075 724 L CA 0.968 55.841 54.840 0.055 0.000 0.747 724 L CB -0.118 41.878 42.059 -0.104 0.000 0.903 724 L HN 0.194 nan 8.230 nan 0.000 0.435 725 I N -0.087 120.621 120.570 0.231 0.000 2.127 725 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 725 I C 2.792 179.019 176.117 0.184 0.000 1.075 725 I CA 1.328 62.808 61.300 0.299 0.000 1.334 725 I CB -0.463 37.643 38.000 0.176 0.000 1.040 725 I HN 0.259 nan 8.210 nan 0.000 0.405 726 A N 0.132 123.024 122.820 0.120 0.000 1.917 726 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 726 A C 2.299 179.942 177.584 0.098 0.000 1.182 726 A CA 2.187 54.278 52.037 0.091 0.000 0.633 726 A CB -0.777 18.266 19.000 0.070 0.000 0.819 726 A HN 0.548 nan 8.150 nan 0.000 0.448 727 E N -0.765 119.500 120.200 0.110 0.000 2.204 727 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 727 E C 1.808 178.484 176.600 0.128 0.000 0.990 727 E CA 1.327 57.789 56.400 0.103 0.000 0.821 727 E CB -0.253 29.507 29.700 0.100 0.000 0.750 727 E HN 0.700 nan 8.360 nan 0.000 0.477 728 C N 0.543 119.946 119.300 0.172 0.000 2.486 728 C HA 0.021 4.481 4.460 -0.000 0.000 0.279 728 C C 2.305 177.408 174.990 0.189 0.000 1.302 728 C CA 0.431 59.596 59.018 0.245 0.000 1.720 728 C CB -0.789 27.159 27.740 0.347 0.000 2.030 728 C HN 0.484 nan 8.230 nan 0.000 0.490 729 E N 1.584 121.867 120.200 0.137 0.000 2.150 729 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 729 E C 2.266 178.897 176.600 0.051 0.000 0.985 729 E CA 1.183 57.631 56.400 0.080 0.000 0.814 729 E CB -0.228 29.510 29.700 0.063 0.000 0.752 729 E HN 0.655 nan 8.360 nan 0.000 0.466 730 A N 1.085 123.940 122.820 0.058 0.000 2.019 730 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 730 A C 1.389 178.985 177.584 0.020 0.000 1.164 730 A CA 1.332 53.392 52.037 0.038 0.000 0.644 730 A CB -0.139 18.888 19.000 0.044 0.000 0.805 730 A HN 0.155 nan 8.150 nan 0.000 0.449 731 E N -1.581 118.633 120.200 0.022 0.000 2.651 731 E HA 0.503 4.853 4.350 -0.000 0.000 0.208 731 E C 0.401 176.897 176.600 -0.173 0.000 0.997 731 E CA 0.266 56.636 56.400 -0.051 0.000 1.020 731 E CB 0.398 30.095 29.700 -0.004 0.000 1.052 731 E HN 0.665 nan 8.360 nan 0.000 0.465 732 A N 1.220 123.993 122.820 -0.079 0.000 2.826 732 A HA -0.224 4.096 4.320 -0.000 0.000 0.274 732 A C -0.207 177.323 177.584 -0.089 0.000 1.443 732 A CA 0.802 52.791 52.037 -0.080 0.000 0.833 732 A CB -2.064 16.877 19.000 -0.098 0.000 1.023 732 A HN 0.502 nan 8.150 nan 0.000 0.600 733 H N 0.210 119.317 119.070 0.062 0.000 2.548 733 H HA 0.363 4.919 4.556 -0.000 0.000 0.331 733 H C 0.652 176.035 175.328 0.092 0.000 1.093 733 H CA -0.057 56.042 56.048 0.085 0.000 1.367 733 H CB 0.811 30.643 29.762 0.117 0.000 1.455 733 H HN 0.423 nan 8.280 nan 0.000 0.519 734 K N 1.381 121.911 120.400 0.218 0.000 2.524 734 K HA 0.335 4.655 4.320 -0.000 0.000 0.279 734 K C -0.273 176.378 176.600 0.086 0.000 0.993 734 K CA 0.207 56.558 56.287 0.105 0.000 1.030 734 K CB 0.518 33.058 32.500 0.067 0.000 0.891 734 K HN 0.689 nan 8.250 nan 0.000 0.488 735 A N 3.453 126.234 122.820 -0.066 0.000 2.686 735 A HA 0.287 4.607 4.320 -0.000 0.000 0.299 735 A C -1.165 176.211 177.584 -0.347 0.000 1.151 735 A CA -0.866 50.975 52.037 -0.327 0.000 0.851 735 A CB 0.615 19.613 19.000 -0.003 0.000 1.448 735 A HN 0.384 nan 8.150 nan 0.000 0.404 736 R N 1.982 122.235 120.500 -0.412 0.000 2.288 736 R HA 0.346 4.686 4.340 -0.000 0.000 0.326 736 R C -0.456 175.694 176.300 -0.250 0.000 0.959 736 R CA -0.710 55.240 56.100 -0.250 0.000 0.834 736 R CB 1.213 31.412 30.300 -0.168 0.000 1.157 736 R HN 0.650 nan 8.270 nan 0.000 0.470 737 R N 3.480 123.872 120.500 -0.181 0.000 2.483 737 R HA 0.091 4.431 4.340 -0.000 0.000 0.329 737 R C 0.306 176.536 176.300 -0.117 0.000 0.961 737 R CA 0.161 56.177 56.100 -0.139 0.000 1.041 737 R CB -0.088 30.155 30.300 -0.095 0.000 0.930 737 R HN 0.491 nan 8.270 nan 0.000 0.413 738 I N 6.528 127.026 120.570 -0.119 0.000 2.471 738 I HA 0.068 4.238 4.170 -0.000 0.000 0.286 738 I C -1.359 174.698 176.117 -0.101 0.000 1.079 738 I CA -1.669 59.571 61.300 -0.100 0.000 1.398 738 I CB 0.772 38.713 38.000 -0.097 0.000 1.403 738 I HN 0.247 nan 8.210 nan 0.000 0.530 739 P HA 0.202 nan 4.420 nan 0.000 0.260 739 P C -0.683 176.557 177.300 -0.101 0.000 1.651 739 P CA 0.110 63.163 63.100 -0.078 0.000 1.139 739 P CB 0.778 32.447 31.700 -0.052 0.000 1.756 740 V N 2.508 122.328 119.914 -0.156 0.000 3.048 740 V HA 0.173 4.293 4.120 -0.000 0.000 0.303 740 V C 0.300 176.208 176.094 -0.310 0.000 1.214 740 V CA -0.452 61.684 62.300 -0.273 0.000 0.984 740 V CB 2.787 34.351 31.823 -0.431 0.000 1.054 740 V HN 0.215 nan 8.190 nan 0.000 0.430 741 D N 1.974 122.181 120.400 -0.321 0.000 2.339 741 D HA 0.179 4.819 4.640 -0.000 0.000 0.217 741 D C -0.217 176.084 176.300 0.002 0.000 1.050 741 D CA 0.843 54.795 54.000 -0.080 0.000 0.856 741 D CB 0.166 41.020 40.800 0.090 0.000 0.922 741 D HN 0.574 nan 8.370 nan 0.000 0.518 742 Y N -2.639 117.667 120.300 0.010 0.000 2.900 742 Y HA 0.734 5.284 4.550 -0.000 0.000 0.318 742 Y C -1.453 174.457 175.900 0.017 0.000 1.457 742 Y CA -1.896 56.210 58.100 0.010 0.000 1.082 742 Y CB 0.736 39.200 38.460 0.008 0.000 1.419 742 Y HN -0.228 nan 8.280 nan 0.000 0.459 743 A N 1.361 124.367 122.820 0.310 0.000 2.763 743 A HA 0.670 4.990 4.320 -0.000 0.000 0.325 743 A C -0.905 176.828 177.584 0.249 0.000 1.209 743 A CA -0.492 51.666 52.037 0.201 0.000 0.764 743 A CB -0.051 19.006 19.000 0.096 0.000 1.120 743 A HN 0.637 nan 8.150 nan 0.000 0.463 744 S N 0.854 116.760 115.700 0.344 0.000 2.641 744 S HA 0.376 4.846 4.470 -0.000 0.000 0.261 744 S C 0.516 175.201 174.600 0.141 0.000 1.257 744 S CA -0.286 58.001 58.200 0.145 0.000 0.983 744 S CB -0.015 63.253 63.200 0.113 0.000 0.990 744 S HN 0.777 nan 8.310 nan 0.000 0.572 745 H N -0.577 118.509 119.070 0.027 0.000 2.626 745 H HA -0.133 4.423 4.556 -0.000 0.000 0.317 745 H C 0.112 175.444 175.328 0.007 0.000 1.140 745 H CA 0.910 56.956 56.048 -0.004 0.000 1.134 745 H CB -2.082 27.688 29.762 0.014 0.000 1.486 745 H HN 0.569 nan 8.280 nan 0.000 0.417 746 S N -1.810 113.925 115.700 0.058 0.000 2.638 746 S HA 0.471 4.941 4.470 -0.000 0.000 0.274 746 S C -2.361 172.256 174.600 0.028 0.000 1.157 746 S CA -1.180 57.051 58.200 0.052 0.000 0.826 746 S CB 2.978 66.217 63.200 0.064 0.000 1.139 746 S HN -0.185 nan 8.310 nan 0.000 0.474 747 P HA -0.091 nan 4.420 nan 0.000 0.220 747 P C 0.994 178.318 177.300 0.040 0.000 1.144 747 P CA 1.236 64.360 63.100 0.039 0.000 0.800 747 P CB -0.085 31.638 31.700 0.038 0.000 0.772 748 Q N -1.101 118.721 119.800 0.036 0.000 2.500 748 Q HA -0.051 4.289 4.340 -0.000 0.000 0.213 748 Q C 1.526 177.545 176.000 0.031 0.000 0.974 748 Q CA 0.682 56.507 55.803 0.036 0.000 0.918 748 Q CB -0.234 28.530 28.738 0.043 0.000 0.980 748 Q HN 0.226 nan 8.270 nan 0.000 0.505 749 V N -0.244 119.685 119.914 0.026 0.000 2.878 749 V HA -0.123 3.997 4.120 -0.000 0.000 0.250 749 V C 1.738 177.910 176.094 0.131 0.000 1.075 749 V CA 1.022 63.336 62.300 0.022 0.000 1.096 749 V CB -0.112 31.661 31.823 -0.083 0.000 0.724 749 V HN 0.224 nan 8.190 nan 0.000 0.467 750 E N 0.740 121.028 120.200 0.146 0.000 2.273 750 E HA -0.197 4.153 4.350 -0.000 0.000 0.198 750 E C 2.277 178.931 176.600 0.089 0.000 1.002 750 E CA 1.406 57.907 56.400 0.168 0.000 0.828 750 E CB -0.179 29.583 29.700 0.104 0.000 0.747 750 E HN 0.538 nan 8.360 nan 0.000 0.491 751 S N -0.425 115.315 115.700 0.066 0.000 2.402 751 S HA -0.061 4.409 4.470 -0.000 0.000 0.229 751 S C 1.602 176.224 174.600 0.036 0.000 1.021 751 S CA 0.688 58.910 58.200 0.037 0.000 0.974 751 S CB -0.052 63.164 63.200 0.028 0.000 0.800 751 S HN 0.299 nan 8.310 nan 0.000 0.484 752 L N 0.774 122.038 121.223 0.069 0.000 2.418 752 L HA 0.137 4.477 4.340 -0.000 0.000 0.218 752 L C 2.486 179.400 176.870 0.073 0.000 1.125 752 L CA 0.322 55.203 54.840 0.069 0.000 0.835 752 L CB -0.456 41.648 42.059 0.074 0.000 0.953 752 L HN 0.220 nan 8.230 nan 0.000 0.454 753 R N 1.129 121.660 120.500 0.052 0.000 2.113 753 R HA -0.275 4.065 4.340 -0.000 0.000 0.244 753 R C 2.131 178.340 176.300 -0.152 0.000 1.142 753 R CA 2.289 58.269 56.100 -0.200 0.000 0.953 753 R CB -0.113 29.881 30.300 -0.510 0.000 0.860 753 R HN 0.424 nan 8.270 nan 0.000 0.438 754 E N -0.065 120.080 120.200 -0.092 0.000 2.072 754 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 754 E C 1.877 178.455 176.600 -0.037 0.000 0.985 754 E CA 1.367 57.725 56.400 -0.070 0.000 0.801 754 E CB 0.020 29.689 29.700 -0.051 0.000 0.750 754 E HN 0.426 nan 8.360 nan 0.000 0.452 755 E N 0.380 120.569 120.200 -0.018 0.000 2.017 755 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 755 E C 2.241 178.841 176.600 -0.000 0.000 0.997 755 E CA 1.209 57.604 56.400 -0.008 0.000 0.804 755 E CB -0.126 29.572 29.700 -0.003 0.000 0.757 755 E HN 0.239 nan 8.360 nan 0.000 0.448 756 L N 0.558 121.793 121.223 0.021 0.000 1.963 756 L HA -0.300 4.040 4.340 -0.000 0.000 0.220 756 L C 2.694 179.586 176.870 0.035 0.000 1.076 756 L CA 1.542 56.408 54.840 0.043 0.000 0.772 756 L CB -0.599 41.535 42.059 0.124 0.000 0.892 756 L HN 0.309 nan 8.230 nan 0.000 0.435 757 L N -1.115 120.122 121.223 0.025 0.000 2.081 757 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 757 L C 2.537 179.410 176.870 0.005 0.000 1.080 757 L CA 1.639 56.487 54.840 0.013 0.000 0.754 757 L CB -1.012 41.026 42.059 -0.036 0.000 0.893 757 L HN 0.383 nan 8.230 nan 0.000 0.433 758 T N -0.174 114.375 114.554 -0.007 0.000 2.564 758 T HA -0.199 4.151 4.350 -0.000 0.000 0.259 758 T C 1.405 176.102 174.700 -0.006 0.000 1.087 758 T CA 1.733 63.828 62.100 -0.008 0.000 1.184 758 T CB -0.250 68.611 68.868 -0.012 0.000 0.864 758 T HN 0.544 nan 8.240 nan 0.000 0.403 759 E N 1.361 121.556 120.200 -0.009 0.000 2.403 759 E HA 0.132 4.482 4.350 -0.000 0.000 0.188 759 E C 1.399 177.980 176.600 -0.032 0.000 1.056 759 E CA 0.032 56.422 56.400 -0.016 0.000 0.892 759 E CB -0.263 29.428 29.700 -0.015 0.000 1.049 759 E HN 0.451 nan 8.360 nan 0.000 0.465 760 L N 0.719 121.929 121.223 -0.022 0.000 2.554 760 L HA 0.253 4.593 4.340 -0.000 0.000 0.225 760 L C 1.290 178.156 176.870 -0.006 0.000 1.104 760 L CA -0.155 54.665 54.840 -0.033 0.000 0.866 760 L CB 0.118 42.174 42.059 -0.004 0.000 1.047 760 L HN 0.099 nan 8.230 nan 0.000 0.468 761 A N 0.052 122.876 122.820 0.007 0.000 2.507 761 A HA 0.358 4.678 4.320 -0.000 0.000 0.235 761 A C 1.426 179.014 177.584 0.007 0.000 1.070 761 A CA 0.696 52.742 52.037 0.016 0.000 0.768 761 A CB -0.289 18.717 19.000 0.011 0.000 1.011 761 A HN 0.552 nan 8.150 nan 0.000 0.502 762 G N -0.028 108.781 108.800 0.014 0.000 2.147 762 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.244 762 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.244 762 G C 0.082 174.985 174.900 0.006 0.000 1.005 762 G CA 0.353 45.458 45.100 0.009 0.000 0.713 762 G HN 1.105 nan 8.290 nan 0.000 0.515 763 I N 1.174 121.753 120.570 0.014 0.000 2.575 763 I HA 0.526 4.696 4.170 -0.000 0.000 0.285 763 I C 0.590 176.726 176.117 0.033 0.000 1.085 763 I CA 0.129 61.436 61.300 0.011 0.000 1.403 763 I CB 1.419 39.431 38.000 0.019 0.000 1.409 763 I HN 0.026 nan 8.210 nan 0.000 0.557 764 S N 8.044 123.759 115.700 0.026 0.000 2.328 764 S HA 0.405 4.875 4.470 -0.000 0.000 0.204 764 S C -2.380 172.243 174.600 0.039 0.000 1.475 764 S CA -0.955 57.262 58.200 0.029 0.000 1.148 764 S CB 0.110 63.321 63.200 0.018 0.000 1.077 764 S HN 0.478 nan 8.310 nan 0.000 0.479 765 P HA 0.518 nan 4.420 nan 0.000 0.276 765 P C -0.793 176.519 177.300 0.019 0.000 1.244 765 P CA -0.430 62.698 63.100 0.046 0.000 0.801 765 P CB 1.037 32.762 31.700 0.043 0.000 1.006 766 V N -0.007 119.914 119.914 0.012 0.000 3.049 766 V HA 0.223 4.343 4.120 -0.000 0.000 0.309 766 V C 0.234 176.322 176.094 -0.010 0.000 1.148 766 V CA -0.848 61.453 62.300 0.002 0.000 0.990 766 V CB 1.907 33.735 31.823 0.009 0.000 1.039 766 V HN 0.525 nan 8.190 nan 0.000 0.430 767 S N 2.163 117.854 115.700 -0.015 0.000 2.563 767 S HA 0.443 4.913 4.470 -0.000 0.000 0.294 767 S C 0.329 174.922 174.600 -0.012 0.000 1.279 767 S CA 0.363 58.551 58.200 -0.019 0.000 1.069 767 S CB 0.562 63.752 63.200 -0.017 0.000 0.828 767 S HN 1.140 nan 8.310 nan 0.000 0.497 768 A N 2.583 125.394 122.820 -0.014 0.000 2.299 768 A HA 0.581 4.901 4.320 -0.000 0.000 0.332 768 A C 0.493 178.077 177.584 0.000 0.000 1.131 768 A CA -0.836 51.196 52.037 -0.007 0.000 0.844 768 A CB 0.428 19.423 19.000 -0.010 0.000 1.251 768 A HN 0.711 nan 8.150 nan 0.000 0.486 769 D N -0.360 120.043 120.400 0.005 0.000 2.194 769 D HA 0.084 4.724 4.640 -0.000 0.000 0.204 769 D C 0.490 176.806 176.300 0.028 0.000 0.964 769 D CA 0.837 54.845 54.000 0.014 0.000 0.846 769 D CB -0.496 40.312 40.800 0.013 0.000 0.962 769 D HN 0.183 nan 8.370 nan 0.000 0.490 770 V N 0.638 120.570 119.914 0.029 0.000 2.732 770 V HA 0.647 4.767 4.120 -0.000 0.000 0.310 770 V C 0.440 176.569 176.094 0.058 0.000 1.053 770 V CA -1.596 60.735 62.300 0.052 0.000 0.957 770 V CB 1.567 33.416 31.823 0.044 0.000 1.018 770 V HN 0.214 nan 8.190 nan 0.000 0.452 771 A N 3.964 126.847 122.820 0.104 0.000 2.445 771 A HA 0.548 4.868 4.320 -0.000 0.000 0.242 771 A C -0.526 177.127 177.584 0.115 0.000 1.075 771 A CA 0.010 52.121 52.037 0.123 0.000 0.777 771 A CB 0.234 19.404 19.000 0.283 0.000 1.013 771 A HN 0.680 nan 8.150 nan 0.000 0.493 772 L N 2.992 124.248 121.223 0.056 0.000 2.372 772 L HA 0.439 4.779 4.340 -0.000 0.000 0.273 772 L C -1.798 175.091 176.870 0.031 0.000 0.989 772 L CA -0.416 54.464 54.840 0.066 0.000 0.841 772 L CB 0.787 42.842 42.059 -0.006 0.000 1.225 772 L HN 0.672 nan 8.230 nan 0.000 0.414 773 Y N 2.808 123.086 120.300 -0.037 0.000 2.477 773 Y HA 0.262 4.812 4.550 -0.000 0.000 0.349 773 Y C 1.035 176.928 175.900 -0.012 0.000 0.977 773 Y CA 0.204 58.282 58.100 -0.037 0.000 1.214 773 Y CB 1.323 39.738 38.460 -0.075 0.000 1.124 773 Y HN 0.620 nan 8.280 nan 0.000 0.521 774 S N 1.494 117.231 115.700 0.062 0.000 2.545 774 S HA 0.145 4.615 4.470 -0.000 0.000 0.275 774 S C 1.147 175.788 174.600 0.068 0.000 1.299 774 S CA -0.134 58.117 58.200 0.086 0.000 1.048 774 S CB 0.470 63.731 63.200 0.102 0.000 0.938 774 S HN 0.813 nan 8.310 nan 0.000 0.496 775 T N 1.535 116.132 114.554 0.072 0.000 3.037 775 T HA 0.044 4.394 4.350 -0.000 0.000 0.251 775 T C 1.667 176.354 174.700 -0.022 0.000 1.079 775 T CA 0.606 62.724 62.100 0.030 0.000 1.067 775 T CB -0.411 68.489 68.868 0.053 0.000 0.948 775 T HN 0.571 nan 8.240 nan 0.000 0.496 776 T N 2.680 117.201 114.554 -0.054 0.000 2.668 776 T HA -0.091 4.259 4.350 -0.000 0.000 0.262 776 T C 2.131 176.744 174.700 -0.145 0.000 1.045 776 T CA 2.033 64.018 62.100 -0.191 0.000 1.152 776 T CB -0.788 67.748 68.868 -0.553 0.000 0.864 776 T HN 0.490 nan 8.240 nan 0.000 0.419 777 T N -0.176 114.330 114.554 -0.079 0.000 2.643 777 T HA 0.307 4.657 4.350 -0.000 0.000 0.256 777 T C 1.904 176.590 174.700 -0.023 0.000 1.061 777 T CA 1.407 63.486 62.100 -0.036 0.000 1.163 777 T CB -0.631 68.246 68.868 0.015 0.000 0.865 777 T HN 0.593 nan 8.240 nan 0.000 0.407 778 G N -0.123 108.673 108.800 -0.007 0.000 2.480 778 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.193 778 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.193 778 G C 0.114 175.015 174.900 0.001 0.000 1.004 778 G CA -0.443 44.657 45.100 -0.000 0.000 0.696 778 G HN 0.396 nan 8.290 nan 0.000 0.478 779 Q N 0.884 120.667 119.800 -0.027 0.000 2.169 779 Q HA 0.525 4.865 4.340 -0.000 0.000 0.234 779 Q C -2.479 173.413 176.000 -0.179 0.000 0.980 779 Q CA -1.635 54.121 55.803 -0.078 0.000 0.941 779 Q CB 1.339 30.032 28.738 -0.075 0.000 1.199 779 Q HN 0.216 nan 8.270 nan 0.000 0.496 780 P HA 0.215 nan 4.420 nan 0.000 0.272 780 P C -0.477 176.661 177.300 -0.271 0.000 1.240 780 P CA 0.046 62.802 63.100 -0.574 0.000 0.791 780 P CB 0.395 31.555 31.700 -0.900 0.000 0.978 781 I N -3.264 117.180 120.570 -0.211 0.000 3.074 781 I HA 0.579 4.749 4.170 -0.000 0.000 0.310 781 I C -0.835 175.209 176.117 -0.123 0.000 1.153 781 I CA -1.289 59.928 61.300 -0.138 0.000 0.993 781 I CB 2.270 40.198 38.000 -0.119 0.000 1.237 781 I HN 0.023 nan 8.210 nan 0.000 0.443 782 D N 2.546 122.885 120.400 -0.102 0.000 2.317 782 D HA 0.116 4.756 4.640 -0.000 0.000 0.252 782 D C 1.247 177.478 176.300 -0.115 0.000 1.174 782 D CA 0.132 54.080 54.000 -0.087 0.000 0.866 782 D CB 1.723 42.484 40.800 -0.065 0.000 1.127 782 D HN 0.769 nan 8.370 nan 0.000 0.467 783 T N 1.482 115.973 114.554 -0.105 0.000 2.929 783 T HA -0.098 4.252 4.350 -0.000 0.000 0.271 783 T C 1.863 176.489 174.700 -0.124 0.000 1.085 783 T CA 0.858 62.879 62.100 -0.131 0.000 1.125 783 T CB -0.174 68.647 68.868 -0.078 0.000 0.874 783 T HN 0.356 nan 8.240 nan 0.000 0.494 784 A N 1.586 124.357 122.820 -0.082 0.000 2.084 784 A HA 0.031 4.351 4.320 -0.000 0.000 0.221 784 A C 1.747 179.278 177.584 -0.088 0.000 1.161 784 A CA 1.336 53.336 52.037 -0.062 0.000 0.653 784 A CB -1.394 17.582 19.000 -0.040 0.000 0.802 784 A HN 0.563 nan 8.150 nan 0.000 0.457 788 T N -1.941 112.759 114.554 0.244 0.000 2.720 788 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 788 T C 2.127 176.970 174.700 0.238 0.000 1.037 788 T CA 2.591 64.856 62.100 0.275 0.000 1.144 788 T CB -0.879 68.083 68.868 0.156 0.000 0.864 788 T HN 0.719 nan 8.240 nan 0.000 0.444 789 A N 0.983 123.895 122.820 0.152 0.000 1.903 789 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 789 A C 2.206 179.872 177.584 0.137 0.000 1.191 789 A CA 2.116 54.227 52.037 0.123 0.000 0.638 789 A CB -1.454 17.591 19.000 0.076 0.000 0.823 789 A HN 0.686 nan 8.150 nan 0.000 0.451 790 Y N -1.445 118.824 120.300 -0.052 0.000 2.200 790 Y HA -0.204 4.346 4.550 -0.000 0.000 0.290 790 Y C 2.063 177.798 175.900 -0.275 0.000 1.137 790 Y CA 1.696 59.659 58.100 -0.229 0.000 1.163 790 Y CB -0.443 37.756 38.460 -0.435 0.000 0.988 790 Y HN 0.462 nan 8.280 nan 0.000 0.518 791 W N -1.536 119.919 121.300 0.258 0.000 2.467 791 W HA -0.175 4.485 4.660 0.000 0.000 0.275 791 W C 2.222 178.762 176.519 0.035 0.000 1.239 791 W CA 1.165 58.600 57.345 0.151 0.000 1.266 791 W CB -0.729 28.809 29.460 0.131 0.000 1.112 791 W HN 0.168 nan 8.180 nan 0.000 0.576 792 Y N 1.250 121.638 120.300 0.147 0.000 2.181 792 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 792 Y C 2.301 178.178 175.900 -0.038 0.000 1.146 792 Y CA 2.047 60.172 58.100 0.042 0.000 1.164 792 Y CB -0.733 37.739 38.460 0.019 0.000 0.982 792 Y HN -0.093 nan 8.280 nan 0.000 0.515 793 A N 0.487 123.208 122.820 -0.165 0.000 1.969 793 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 793 A C 2.257 179.648 177.584 -0.321 0.000 1.169 793 A CA 1.527 53.393 52.037 -0.285 0.000 0.635 793 A CB -1.028 17.800 19.000 -0.287 0.000 0.810 793 A HN 0.681 nan 8.150 nan 0.000 0.445 794 N N 0.176 118.691 118.700 -0.309 0.000 2.223 794 N HA -0.123 4.617 4.740 -0.000 0.000 0.185 794 N C 1.655 177.122 175.510 -0.072 0.000 1.016 794 N CA 1.363 54.328 53.050 -0.143 0.000 0.863 794 N CB -0.193 38.311 38.487 0.028 0.000 0.983 794 N HN 0.541 nan 8.380 nan 0.000 0.429 795 L N 0.227 121.313 121.223 -0.228 0.000 2.162 795 L HA -0.002 4.338 4.340 -0.000 0.000 0.205 795 L C 2.618 179.147 176.870 -0.568 0.000 1.086 795 L CA 0.552 55.141 54.840 -0.419 0.000 0.778 795 L CB -0.121 41.736 42.059 -0.337 0.000 0.928 795 L HN 0.122 nan 8.230 nan 0.000 0.446 796 R N 0.226 120.417 120.500 -0.516 0.000 2.100 796 R HA 0.019 4.359 4.340 -0.000 0.000 0.220 796 R C 0.462 176.677 176.300 -0.143 0.000 1.091 796 R CA 0.697 56.557 56.100 -0.400 0.000 0.986 796 R CB 0.132 30.081 30.300 -0.585 0.000 0.888 796 R HN 0.147 nan 8.270 nan 0.000 0.444 797 E N 1.165 121.321 120.200 -0.074 0.000 2.248 797 E HA 0.064 4.414 4.350 -0.000 0.000 0.272 797 E C -0.848 175.823 176.600 0.118 0.000 1.008 797 E CA -0.630 55.776 56.400 0.009 0.000 0.856 797 E CB 0.974 30.640 29.700 -0.056 0.000 1.120 797 E HN 0.287 nan 8.360 nan 0.000 0.397 798 Q N 0.903 120.729 119.800 0.044 0.000 2.386 798 Q HA -0.019 4.321 4.340 -0.000 0.000 0.282 798 Q C 0.612 176.574 176.000 -0.063 0.000 1.050 798 Q CA -0.116 55.681 55.803 -0.011 0.000 0.918 798 Q CB 0.817 29.551 28.738 -0.007 0.000 1.266 798 Q HN 0.332 nan 8.270 nan 0.000 0.423 799 V N 3.230 123.050 119.914 -0.155 0.000 2.302 799 V HA -0.132 3.988 4.120 -0.000 0.000 0.243 799 V C 0.209 176.258 176.094 -0.074 0.000 1.036 799 V CA 1.418 63.604 62.300 -0.189 0.000 1.020 799 V CB -0.700 30.860 31.823 -0.438 0.000 0.657 799 V HN 1.043 nan 8.190 nan 0.000 0.453 800 R N -1.532 118.955 120.500 -0.022 0.000 3.076 800 R HA -0.221 4.119 4.340 -0.000 0.000 0.261 800 R C 0.279 176.620 176.300 0.069 0.000 0.930 800 R CA 0.658 56.774 56.100 0.026 0.000 0.649 800 R CB -2.383 27.918 30.300 0.002 0.000 1.350 800 R HN 0.470 nan 8.270 nan 0.000 0.453 801 F N 0.851 120.774 119.950 -0.043 0.000 2.274 801 F HA 0.028 4.555 4.527 0.000 0.000 0.288 801 F C 2.551 178.352 175.800 0.003 0.000 1.069 801 F CA 1.324 59.319 58.000 -0.008 0.000 1.343 801 F CB 0.013 39.042 39.000 0.050 0.000 1.089 801 F HN 0.376 nan 8.300 nan 0.000 0.517 802 Q N 0.376 120.284 119.800 0.180 0.000 2.242 802 Q HA -0.295 4.045 4.340 -0.000 0.000 0.211 802 Q C 1.369 177.342 176.000 -0.045 0.000 0.992 802 Q CA 2.478 58.310 55.803 0.048 0.000 0.889 802 Q CB -0.268 28.517 28.738 0.079 0.000 0.913 802 Q HN 0.503 nan 8.270 nan 0.000 0.422 803 D N -0.462 119.921 120.400 -0.028 0.000 2.097 803 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 803 D C 1.677 177.943 176.300 -0.057 0.000 0.984 803 D CA 1.434 55.417 54.000 -0.027 0.000 0.826 803 D CB -0.185 40.613 40.800 -0.003 0.000 0.973 803 D HN 0.370 nan 8.370 nan 0.000 0.460 804 A N 0.165 122.915 122.820 -0.117 0.000 1.930 804 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 804 A C 2.233 179.671 177.584 -0.244 0.000 1.175 804 A CA 1.795 53.759 52.037 -0.121 0.000 0.627 804 A CB -0.956 17.949 19.000 -0.158 0.000 0.815 804 A HN 0.196 nan 8.150 nan 0.000 0.443 805 T N -0.591 113.717 114.554 -0.410 0.000 2.684 805 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 805 T C 2.093 176.680 174.700 -0.188 0.000 1.036 805 T CA 1.471 63.335 62.100 -0.393 0.000 1.148 805 T CB -0.253 68.359 68.868 -0.426 0.000 0.863 805 T HN 0.481 nan 8.240 nan 0.000 0.436 806 R N 0.781 121.210 120.500 -0.119 0.000 2.096 806 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 806 R C 2.551 178.857 176.300 0.009 0.000 1.127 806 R CA 1.374 57.451 56.100 -0.039 0.000 0.968 806 R CB -0.191 30.097 30.300 -0.021 0.000 0.861 806 R HN 0.535 nan 8.270 nan 0.000 0.440 807 Q N 0.030 119.846 119.800 0.026 0.000 2.170 807 Q HA -0.147 4.193 4.340 -0.000 0.000 0.203 807 Q C 2.151 178.195 176.000 0.075 0.000 0.976 807 Q CA 1.244 57.118 55.803 0.119 0.000 0.858 807 Q CB 0.001 28.903 28.738 0.274 0.000 0.907 807 Q HN 0.365 nan 8.270 nan 0.000 0.433 808 L N -0.329 120.824 121.223 -0.117 0.000 2.131 808 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 808 L C 2.440 179.428 176.870 0.196 0.000 1.087 808 L CA 0.718 55.477 54.840 -0.136 0.000 0.767 808 L CB -0.442 41.441 42.059 -0.294 0.000 0.917 808 L HN 0.174 nan 8.230 nan 0.000 0.441 809 A N 0.079 123.003 122.820 0.173 0.000 1.877 809 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 809 A C 2.150 179.806 177.584 0.120 0.000 1.186 809 A CA 1.756 53.898 52.037 0.176 0.000 0.620 809 A CB -0.425 18.639 19.000 0.106 0.000 0.822 809 A HN 0.341 nan 8.150 nan 0.000 0.443 810 E N -0.263 119.995 120.200 0.098 0.000 2.153 810 E HA 0.000 4.350 4.350 -0.000 0.000 0.194 810 E C 1.916 178.572 176.600 0.093 0.000 0.988 810 E CA 1.033 57.482 56.400 0.082 0.000 0.811 810 E CB -0.260 29.485 29.700 0.075 0.000 0.746 810 E HN 0.584 nan 8.360 nan 0.000 0.466 811 A N -0.337 122.572 122.820 0.147 0.000 2.235 811 A HA 0.270 4.590 4.320 -0.000 0.000 0.208 811 A C 1.552 179.145 177.584 0.016 0.000 1.172 811 A CA 0.813 52.944 52.037 0.156 0.000 0.786 811 A CB -0.514 18.690 19.000 0.340 0.000 0.804 811 A HN 0.301 nan 8.150 nan 0.000 0.479 812 G N -1.929 106.879 108.800 0.014 0.000 2.142 812 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.225 812 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.225 812 G C -0.162 174.614 174.900 -0.206 0.000 1.015 812 G CA -0.055 44.987 45.100 -0.096 0.000 0.716 812 G HN 0.291 nan 8.290 nan 0.000 0.508 813 F N 0.874 120.767 119.950 -0.095 0.000 2.385 813 F HA 0.521 5.048 4.527 0.000 0.000 0.336 813 F C 1.161 176.834 175.800 -0.212 0.000 1.100 813 F CA 0.128 57.994 58.000 -0.223 0.000 1.116 813 F CB 1.551 40.328 39.000 -0.372 0.000 1.166 813 F HN 0.161 nan 8.300 nan 0.000 0.511 814 D N 0.239 120.576 120.400 -0.106 0.000 2.516 814 D HA 0.277 4.917 4.640 -0.000 0.000 0.241 814 D C -0.372 175.883 176.300 -0.075 0.000 1.246 814 D CA -0.025 53.952 54.000 -0.038 0.000 0.808 814 D CB 0.157 40.940 40.800 -0.029 0.000 1.147 814 D HN 0.355 nan 8.370 nan 0.000 0.527 815 A N 0.503 123.162 122.820 -0.268 0.000 2.375 815 A HA 0.620 4.940 4.320 -0.000 0.000 0.291 815 A C -1.560 175.776 177.584 -0.413 0.000 1.160 815 A CA -0.676 51.242 52.037 -0.198 0.000 0.747 815 A CB 0.490 19.411 19.000 -0.131 0.000 1.170 815 A HN 0.063 nan 8.150 nan 0.000 0.458 816 F N 2.342 122.260 119.950 -0.053 0.000 2.375 816 F HA 0.452 4.979 4.527 -0.000 0.000 0.361 816 F C 0.099 175.816 175.800 -0.139 0.000 1.117 816 F CA -0.663 57.284 58.000 -0.088 0.000 1.037 816 F CB 2.165 41.133 39.000 -0.054 0.000 1.192 816 F HN 0.254 nan 8.300 nan 0.000 0.452 817 V N 3.159 123.005 119.914 -0.114 0.000 2.318 817 V HA 0.175 4.295 4.120 -0.000 0.000 0.271 817 V C 0.113 176.064 176.094 -0.238 0.000 1.030 817 V CA -0.832 61.276 62.300 -0.320 0.000 0.844 817 V CB 1.054 32.442 31.823 -0.726 0.000 1.015 817 V HN 0.687 nan 8.190 nan 0.000 0.460 818 E N 3.524 123.651 120.200 -0.122 0.000 2.129 818 E HA 0.212 4.562 4.350 -0.000 0.000 0.283 818 E C -0.246 176.283 176.600 -0.119 0.000 1.080 818 E CA -0.317 56.030 56.400 -0.088 0.000 0.867 818 E CB 1.297 30.983 29.700 -0.023 0.000 1.056 818 E HN 0.573 nan 8.360 nan 0.000 0.404 819 V N 4.633 124.387 119.914 -0.267 0.000 3.067 819 V HA 0.026 4.146 4.120 -0.000 0.000 0.388 819 V C 0.195 176.231 176.094 -0.096 0.000 1.330 819 V CA -0.024 62.130 62.300 -0.243 0.000 1.501 819 V CB -0.809 30.629 31.823 -0.641 0.000 1.382 819 V HN 0.502 nan 8.190 nan 0.000 0.532 820 S N -0.059 115.653 115.700 0.020 0.000 2.568 820 S HA 0.618 5.088 4.470 -0.000 0.000 0.302 820 S C -2.111 172.586 174.600 0.162 0.000 1.082 820 S CA -1.670 56.578 58.200 0.081 0.000 1.009 820 S CB 2.272 65.510 63.200 0.063 0.000 1.069 820 S HN 0.133 nan 8.310 nan 0.000 0.500 821 P HA 0.037 nan 4.420 nan 0.000 0.226 821 P C -0.211 177.378 177.300 0.482 0.000 1.146 821 P CA 1.447 64.739 63.100 0.320 0.000 0.773 821 P CB -0.207 31.621 31.700 0.213 0.000 0.772 822 H N -2.172 117.023 119.070 0.208 0.000 3.129 822 H HA 0.301 4.857 4.556 0.000 0.000 0.342 822 H C -3.016 172.352 175.328 0.067 0.000 1.092 822 H CA -2.051 54.079 56.048 0.136 0.000 1.310 822 H CB 1.365 31.213 29.762 0.145 0.000 1.932 822 H HN -0.293 nan 8.280 nan 0.000 0.507 823 P HA 0.108 nan 4.420 nan 0.000 0.280 823 P C -0.240 176.883 177.300 -0.295 0.000 1.244 823 P CA -0.111 62.839 63.100 -0.250 0.000 0.784 823 P CB 2.325 33.905 31.700 -0.201 0.000 0.913 824 V N 3.804 123.624 119.914 -0.156 0.000 3.177 824 V HA 0.055 4.175 4.120 -0.000 0.000 0.220 824 V C 1.749 177.754 176.094 -0.148 0.000 1.395 824 V CA 0.462 62.685 62.300 -0.129 0.000 1.317 824 V CB -0.515 31.260 31.823 -0.081 0.000 1.148 824 V HN 0.284 nan 8.190 nan 0.000 0.499 825 L N 0.664 121.780 121.223 -0.178 0.000 2.313 825 L HA -0.020 4.320 4.340 -0.000 0.000 0.214 825 L C 2.395 179.217 176.870 -0.081 0.000 1.119 825 L CA 1.648 56.368 54.840 -0.200 0.000 0.809 825 L CB -0.804 41.054 42.059 -0.334 0.000 0.933 825 L HN 0.345 nan 8.230 nan 0.000 0.449 826 T N 0.161 114.676 114.554 -0.066 0.000 2.594 826 T HA -0.279 4.071 4.350 -0.000 0.000 0.266 826 T C 1.985 176.661 174.700 -0.039 0.000 1.070 826 T CA 2.137 64.211 62.100 -0.042 0.000 1.166 826 T CB -0.351 68.485 68.868 -0.053 0.000 0.862 826 T HN 0.095 nan 8.240 nan 0.000 0.436 827 V N 1.026 120.912 119.914 -0.046 0.000 2.287 827 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 827 V C 2.796 178.877 176.094 -0.021 0.000 1.053 827 V CA 2.167 64.448 62.300 -0.033 0.000 1.027 827 V CB -1.424 30.378 31.823 -0.035 0.000 0.646 827 V HN 0.654 nan 8.190 nan 0.000 0.447 828 G N -0.229 108.561 108.800 -0.017 0.000 2.433 828 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 828 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 828 G C 1.578 176.482 174.900 0.007 0.000 1.186 828 G CA 1.134 46.239 45.100 0.009 0.000 0.779 828 G HN 0.469 nan 8.290 nan 0.000 0.543 829 I N 0.822 121.395 120.570 0.006 0.000 2.113 829 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 829 I C 2.803 178.848 176.117 -0.120 0.000 1.057 829 I CA 1.847 63.094 61.300 -0.087 0.000 1.314 829 I CB -0.302 37.600 38.000 -0.164 0.000 1.022 829 I HN 0.292 nan 8.210 nan 0.000 0.408 830 E N 0.459 120.614 120.200 -0.074 0.000 2.150 830 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 830 E C 2.286 178.869 176.600 -0.029 0.000 0.985 830 E CA 1.108 57.480 56.400 -0.047 0.000 0.814 830 E CB -0.158 29.528 29.700 -0.024 0.000 0.752 830 E HN 0.571 nan 8.360 nan 0.000 0.466 831 A N 0.810 123.617 122.820 -0.021 0.000 1.897 831 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 831 A C 2.345 179.922 177.584 -0.011 0.000 1.181 831 A CA 1.503 53.535 52.037 -0.008 0.000 0.620 831 A CB -0.640 18.361 19.000 0.002 0.000 0.821 831 A HN 0.135 nan 8.150 nan 0.000 0.443 832 T N 0.638 115.179 114.554 -0.021 0.000 2.708 832 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 832 T C 1.830 176.506 174.700 -0.041 0.000 1.037 832 T CA 1.468 63.551 62.100 -0.028 0.000 1.146 832 T CB -0.384 68.458 68.868 -0.044 0.000 0.865 832 T HN 0.345 nan 8.240 nan 0.000 0.435 833 L N 0.899 122.083 121.223 -0.065 0.000 2.046 833 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 833 L C 2.584 179.446 176.870 -0.013 0.000 1.077 833 L CA 1.150 55.962 54.840 -0.047 0.000 0.747 833 L CB -0.664 41.357 42.059 -0.062 0.000 0.896 833 L HN 0.174 nan 8.230 nan 0.000 0.432 834 D N -0.384 120.009 120.400 -0.011 0.000 2.154 834 D HA -0.237 4.403 4.640 -0.000 0.000 0.190 834 D C 2.309 178.610 176.300 0.002 0.000 1.003 834 D CA 1.827 55.827 54.000 -0.000 0.000 0.849 834 D CB -0.154 40.646 40.800 0.001 0.000 0.942 834 D HN 0.147 nan 8.370 nan 0.000 0.446 835 S N -0.443 115.257 115.700 0.000 0.000 2.354 835 S HA -0.119 4.351 4.470 -0.000 0.000 0.219 835 S C 1.498 176.102 174.600 0.005 0.000 1.035 835 S CA 1.611 59.813 58.200 0.003 0.000 1.037 835 S CB -0.121 63.081 63.200 0.003 0.000 0.956 835 S HN 0.309 nan 8.310 nan 0.000 0.428 836 A N 0.709 123.531 122.820 0.003 0.000 2.833 836 A HA 0.607 4.927 4.320 -0.000 0.000 0.293 836 A C -0.147 177.447 177.584 0.017 0.000 1.338 836 A CA -0.277 51.765 52.037 0.009 0.000 0.959 836 A CB -0.211 18.793 19.000 0.007 0.000 1.094 836 A HN 0.442 nan 8.150 nan 0.000 0.569 837 L N -0.486 120.748 121.223 0.017 0.000 2.393 837 L HA 0.428 4.768 4.340 -0.000 0.000 0.260 837 L C -2.564 174.316 176.870 0.018 0.000 1.002 837 L CA -2.445 52.409 54.840 0.024 0.000 0.818 837 L CB 2.423 44.502 42.059 0.034 0.000 1.369 837 L HN -0.004 nan 8.230 nan 0.000 0.412 838 P HA 0.023 nan 4.420 nan 0.000 0.258 838 P C -0.586 176.722 177.300 0.013 0.000 1.172 838 P CA -0.020 63.088 63.100 0.013 0.000 0.762 838 P CB 0.425 32.132 31.700 0.012 0.000 0.764 839 A N 3.364 126.191 122.820 0.011 0.000 2.511 839 A HA 0.159 4.479 4.320 -0.000 0.000 0.242 839 A C 0.653 178.242 177.584 0.010 0.000 1.069 839 A CA 0.081 52.125 52.037 0.010 0.000 0.763 839 A CB -0.630 18.376 19.000 0.009 0.000 1.001 839 A HN 0.680 nan 8.150 nan 0.000 0.498 840 D N -0.856 119.550 120.400 0.010 0.000 2.746 840 D HA -0.121 4.519 4.640 -0.000 0.000 0.236 840 D C 0.004 176.308 176.300 0.008 0.000 1.129 840 D CA 1.659 55.664 54.000 0.009 0.000 0.691 840 D CB -1.160 39.645 40.800 0.008 0.000 1.077 840 D HN 1.071 nan 8.370 nan 0.000 0.432 841 A N -0.137 122.690 122.820 0.011 0.000 2.664 841 A HA 0.693 5.013 4.320 -0.000 0.000 0.338 841 A C 1.589 179.182 177.584 0.015 0.000 1.280 841 A CA 0.570 52.613 52.037 0.010 0.000 0.809 841 A CB 0.572 19.579 19.000 0.012 0.000 1.114 841 A HN 0.761 nan 8.150 nan 0.000 0.479 842 G N 2.145 110.951 108.800 0.009 0.000 3.284 842 G HA2 0.026 3.986 3.960 -0.000 0.000 0.351 842 G HA3 0.026 3.986 3.960 -0.000 0.000 0.351 842 G C 1.157 176.076 174.900 0.030 0.000 1.232 842 G CA 1.757 46.864 45.100 0.011 0.000 1.001 842 G HN 2.678 nan 8.290 nan 0.000 0.639 843 A N -1.431 121.419 122.820 0.050 0.000 1.473 843 A HA 0.103 4.423 4.320 -0.000 0.000 0.191 843 A C 1.013 178.658 177.584 0.100 0.000 1.207 843 A CA 1.817 53.913 52.037 0.098 0.000 0.662 843 A CB -1.526 17.534 19.000 0.100 0.000 1.122 843 A HN 2.544 nan 8.150 nan 0.000 0.182 844 C N 4.980 124.351 119.300 0.119 0.000 2.303 844 C HA 0.777 5.237 4.460 -0.000 0.000 0.326 844 C C -0.109 174.980 174.990 0.165 0.000 1.285 844 C CA 0.039 59.117 59.018 0.100 0.000 1.675 844 C CB 0.438 28.209 27.740 0.052 0.000 2.289 844 C HN 1.308 nan 8.230 nan 0.000 0.512 845 V N 6.510 126.499 119.914 0.126 0.000 2.531 845 V HA 0.716 4.836 4.120 -0.000 0.000 0.301 845 V C -0.418 175.720 176.094 0.074 0.000 1.034 845 V CA -0.357 62.021 62.300 0.130 0.000 0.865 845 V CB 1.582 33.448 31.823 0.071 0.000 0.995 845 V HN 0.824 nan 8.190 nan 0.000 0.424 846 V N 3.050 123.002 119.914 0.062 0.000 2.888 846 V HA 0.849 4.969 4.120 -0.000 0.000 0.309 846 V C 0.515 176.634 176.094 0.042 0.000 1.114 846 V CA -0.031 62.302 62.300 0.054 0.000 0.940 846 V CB 2.404 34.272 31.823 0.074 0.000 1.021 846 V HN 0.958 nan 8.190 nan 0.000 0.426 847 G N 1.919 110.759 108.800 0.067 0.000 2.568 847 G HA2 0.606 4.566 3.960 -0.000 0.000 0.293 847 G HA3 0.606 4.566 3.960 -0.000 0.000 0.293 847 G C 0.274 175.296 174.900 0.203 0.000 1.347 847 G CA 0.444 45.591 45.100 0.078 0.000 1.039 847 G HN 0.635 nan 8.290 nan 0.000 0.523 848 T N -0.935 113.754 114.554 0.225 0.000 3.479 848 T HA 0.296 4.646 4.350 -0.000 0.000 0.197 848 T C 0.633 175.458 174.700 0.210 0.000 0.912 848 T CA -0.162 62.140 62.100 0.336 0.000 1.281 848 T CB -0.411 68.744 68.868 0.479 0.000 1.588 848 T HN 0.165 nan 8.240 nan 0.000 0.389 849 L N 1.780 123.130 121.223 0.212 0.000 2.343 849 L HA 0.628 4.968 4.340 -0.000 0.000 0.275 849 L C 0.148 177.133 176.870 0.192 0.000 1.056 849 L CA -0.876 54.086 54.840 0.203 0.000 0.804 849 L CB 1.217 43.447 42.059 0.283 0.000 1.203 849 L HN 0.215 nan 8.230 nan 0.000 0.440 850 R N 1.638 122.213 120.500 0.125 0.000 2.782 850 R HA 0.417 4.757 4.340 -0.000 0.000 0.258 850 R C -0.159 176.070 176.300 -0.118 0.000 1.055 850 R CA -0.886 55.285 56.100 0.118 0.000 1.065 850 R CB 1.318 31.639 30.300 0.036 0.000 1.172 850 R HN 0.637 nan 8.270 nan 0.000 0.510 851 R N 1.819 122.171 120.500 -0.247 0.000 2.537 851 R HA -0.122 4.218 4.340 -0.000 0.000 0.281 851 R C -0.744 174.945 176.300 -1.018 0.000 0.988 851 R CA 1.059 56.522 56.100 -1.061 0.000 1.077 851 R CB 0.071 29.906 30.300 -0.774 0.000 0.932 851 R HN 0.806 nan 8.270 nan 0.000 0.409 852 D N 2.556 121.936 120.400 -1.699 0.000 2.911 852 D HA -0.190 4.450 4.640 -0.000 0.000 0.227 852 D C -0.561 175.425 176.300 -0.522 0.000 1.164 852 D CA 0.927 54.353 54.000 -0.955 0.000 0.782 852 D CB -0.227 40.297 40.800 -0.460 0.000 1.094 852 D HN 0.645 nan 8.370 nan 0.000 0.425 853 R N -0.146 120.048 120.500 -0.510 0.000 2.647 853 R HA 0.362 4.702 4.340 -0.000 0.000 0.295 853 R C 0.679 177.003 176.300 0.040 0.000 1.267 853 R CA 0.073 56.080 56.100 -0.156 0.000 1.386 853 R CB 0.907 31.130 30.300 -0.128 0.000 1.309 853 R HN 0.129 nan 8.270 nan 0.000 0.692 854 G N -0.724 108.207 108.800 0.219 0.000 2.531 854 G HA2 0.589 4.549 3.960 -0.000 0.000 0.281 854 G HA3 0.589 4.549 3.960 -0.000 0.000 0.281 854 G C 0.176 175.129 174.900 0.088 0.000 1.382 854 G CA 0.192 45.480 45.100 0.312 0.000 1.045 854 G HN 0.415 nan 8.290 nan 0.000 0.533 855 G N -2.106 106.675 108.800 -0.032 0.000 2.829 855 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.628 855 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.628 855 G C 0.817 175.642 174.900 -0.125 0.000 1.412 855 G CA -0.021 45.020 45.100 -0.097 0.000 0.864 855 G HN 0.919 nan 8.290 nan 0.000 0.544 856 L N 0.423 121.552 121.223 -0.156 0.000 2.056 856 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 856 L C 3.372 180.062 176.870 -0.300 0.000 1.078 856 L CA 2.432 57.113 54.840 -0.265 0.000 0.749 856 L CB -0.856 41.059 42.059 -0.240 0.000 0.901 856 L HN 0.976 nan 8.230 nan 0.000 0.433 857 A N 0.335 123.091 122.820 -0.107 0.000 1.883 857 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 857 A C 1.688 179.267 177.584 -0.008 0.000 1.186 857 A CA 2.261 54.296 52.037 -0.004 0.000 0.624 857 A CB -0.662 18.354 19.000 0.027 0.000 0.822 857 A HN 0.483 nan 8.150 nan 0.000 0.444 858 D N -1.449 118.940 120.400 -0.017 0.000 2.269 858 D HA -0.053 4.587 4.640 -0.000 0.000 0.208 858 D C 1.391 177.688 176.300 -0.004 0.000 0.963 858 D CA 0.803 54.803 54.000 0.001 0.000 0.864 858 D CB -0.313 40.497 40.800 0.016 0.000 0.936 858 D HN 0.522 nan 8.370 nan 0.000 0.505 859 F N 0.925 120.744 119.950 -0.219 0.000 2.234 859 F HA -0.078 4.449 4.527 0.000 0.000 0.296 859 F C 2.036 177.654 175.800 -0.304 0.000 1.089 859 F CA 1.194 58.999 58.000 -0.324 0.000 1.343 859 F CB -0.050 38.675 39.000 -0.459 0.000 1.040 859 F HN -0.039 nan 8.300 nan 0.000 0.498 860 H N -0.481 118.423 119.070 -0.277 0.000 2.389 860 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 860 H C 2.267 177.505 175.328 -0.150 0.000 1.081 860 H CA 1.764 57.658 56.048 -0.257 0.000 1.345 860 H CB -1.077 28.681 29.762 -0.006 0.000 1.393 860 H HN 0.209 nan 8.280 nan 0.000 0.520 861 T N 0.729 115.295 114.554 0.021 0.000 2.788 861 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 861 T C 2.263 176.959 174.700 -0.007 0.000 1.044 861 T CA 1.168 63.284 62.100 0.026 0.000 1.139 861 T CB -0.263 68.619 68.868 0.023 0.000 0.867 861 T HN 0.456 nan 8.240 nan 0.000 0.454 862 A N 1.016 123.778 122.820 -0.098 0.000 1.897 862 A HA 0.127 4.447 4.320 -0.000 0.000 0.215 862 A C 2.287 179.802 177.584 -0.115 0.000 1.181 862 A CA 0.832 52.831 52.037 -0.064 0.000 0.620 862 A CB -0.793 18.190 19.000 -0.029 0.000 0.821 862 A HN 0.442 nan 8.150 nan 0.000 0.443 863 L N -0.543 120.388 121.223 -0.488 0.000 2.043 863 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 863 L C 2.747 179.607 176.870 -0.017 0.000 1.075 863 L CA 1.306 55.836 54.840 -0.517 0.000 0.752 863 L CB -0.625 40.852 42.059 -0.970 0.000 0.891 863 L HN 0.522 nan 8.230 nan 0.000 0.432 864 G N -1.118 107.784 108.800 0.169 0.000 2.408 864 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 864 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 864 G C 1.385 176.437 174.900 0.254 0.000 1.150 864 G CA 0.236 45.533 45.100 0.328 0.000 0.776 864 G HN 0.267 nan 8.290 nan 0.000 0.542 865 E N 1.011 121.308 120.200 0.161 0.000 2.085 865 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 865 E C 2.861 179.554 176.600 0.156 0.000 0.994 865 E CA 1.174 57.657 56.400 0.138 0.000 0.801 865 E CB -0.550 29.216 29.700 0.111 0.000 0.743 865 E HN 0.390 nan 8.360 nan 0.000 0.453 866 A N 0.424 123.361 122.820 0.195 0.000 1.854 866 A HA -0.177 4.143 4.320 -0.000 0.000 0.214 866 A C 2.186 179.885 177.584 0.191 0.000 1.192 866 A CA 1.360 53.510 52.037 0.189 0.000 0.611 866 A CB -0.945 18.222 19.000 0.279 0.000 0.832 866 A HN 0.329 nan 8.150 nan 0.000 0.442 867 Y N 0.818 121.197 120.300 0.132 0.000 2.128 867 Y HA -0.144 4.406 4.550 0.000 0.000 0.284 867 Y C 2.601 178.584 175.900 0.138 0.000 1.154 867 Y CA 1.495 59.698 58.100 0.172 0.000 1.149 867 Y CB -0.494 38.180 38.460 0.356 0.000 0.976 867 Y HN 0.303 nan 8.280 nan 0.000 0.505 868 A N 0.161 123.115 122.820 0.223 0.000 2.084 868 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 868 A C 1.499 179.068 177.584 -0.026 0.000 1.161 868 A CA 1.866 53.959 52.037 0.093 0.000 0.653 868 A CB -0.666 18.417 19.000 0.139 0.000 0.802 868 A HN 0.762 nan 8.150 nan 0.000 0.457 869 Q N -2.534 117.253 119.800 -0.020 0.000 2.155 869 Q HA 0.478 4.818 4.340 -0.000 0.000 0.273 869 Q C 0.646 176.612 176.000 -0.058 0.000 0.857 869 Q CA 0.128 55.907 55.803 -0.041 0.000 1.116 869 Q CB 0.244 28.979 28.738 -0.005 0.000 1.209 869 Q HN 0.766 nan 8.270 nan 0.000 0.460 870 G N 0.091 108.824 108.800 -0.111 0.000 2.213 870 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.226 870 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.226 870 G C 0.250 175.115 174.900 -0.059 0.000 0.992 870 G CA -0.140 44.897 45.100 -0.106 0.000 0.632 870 G HN 0.269 nan 8.290 nan 0.000 0.511 871 V N 1.433 121.341 119.914 -0.011 0.000 2.599 871 V HA 0.293 4.413 4.120 -0.000 0.000 0.300 871 V C 0.937 177.073 176.094 0.070 0.000 1.034 871 V CA 0.384 62.703 62.300 0.032 0.000 1.115 871 V CB 1.433 33.296 31.823 0.067 0.000 0.934 871 V HN 0.437 nan 8.190 nan 0.000 0.485 872 E N 3.543 123.781 120.200 0.064 0.000 2.217 872 E HA 0.355 4.705 4.350 -0.000 0.000 0.279 872 E C -1.032 175.634 176.600 0.109 0.000 1.068 872 E CA -0.151 56.305 56.400 0.093 0.000 0.882 872 E CB 0.871 30.608 29.700 0.061 0.000 1.039 872 E HN 0.524 nan 8.360 nan 0.000 0.418 873 V N 5.282 125.282 119.914 0.142 0.000 2.444 873 V HA 0.114 4.234 4.120 -0.000 0.000 0.294 873 V C -0.218 175.819 176.094 -0.095 0.000 1.022 873 V CA -0.949 61.322 62.300 -0.048 0.000 0.850 873 V CB 1.743 33.397 31.823 -0.281 0.000 0.992 873 V HN 0.695 nan 8.190 nan 0.000 0.426 874 D N 3.296 123.662 120.400 -0.057 0.000 2.317 874 D HA 0.090 4.730 4.640 -0.000 0.000 0.252 874 D C -0.039 176.246 176.300 -0.026 0.000 1.174 874 D CA -0.103 53.908 54.000 0.020 0.000 0.866 874 D CB 1.182 42.009 40.800 0.045 0.000 1.127 874 D HN 0.597 nan 8.370 nan 0.000 0.467 875 W N 2.307 123.701 121.300 0.155 0.000 3.077 875 W HA -0.013 4.647 4.660 -0.000 0.000 0.266 875 W C 2.467 179.102 176.519 0.192 0.000 1.300 875 W CA -0.287 57.170 57.345 0.186 0.000 1.586 875 W CB 0.157 29.714 29.460 0.162 0.000 1.103 875 W HN 0.373 nan 8.180 nan 0.000 0.652 876 S N 1.452 117.371 115.700 0.365 0.000 2.369 876 S HA -0.245 4.225 4.470 -0.000 0.000 0.225 876 S C -0.553 174.163 174.600 0.192 0.000 1.043 876 S CA 1.654 60.063 58.200 0.349 0.000 1.074 876 S CB -1.973 61.364 63.200 0.229 0.000 0.962 876 S HN 0.105 nan 8.310 nan 0.000 0.433 877 P HA -0.151 nan 4.420 nan 0.000 0.218 877 P C 1.276 178.555 177.300 -0.035 0.000 1.150 877 P CA 1.703 64.749 63.100 -0.090 0.000 0.841 877 P CB -0.214 31.271 31.700 -0.358 0.000 0.784 878 A N -2.300 120.481 122.820 -0.066 0.000 2.121 878 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 878 A C 0.633 177.908 177.584 -0.514 0.000 1.154 878 A CA 0.942 52.784 52.037 -0.325 0.000 0.679 878 A CB -1.062 17.529 19.000 -0.681 0.000 0.795 878 A HN 0.139 nan 8.150 nan 0.000 0.458 879 F N -0.028 119.981 119.950 0.098 0.000 2.449 879 F HA 0.547 5.074 4.527 -0.000 0.000 0.329 879 F C 0.606 176.365 175.800 -0.068 0.000 1.245 879 F CA -1.192 56.825 58.000 0.028 0.000 1.193 879 F CB 0.303 39.365 39.000 0.104 0.000 1.425 879 F HN 0.135 nan 8.300 nan 0.000 0.544 880 A N 1.115 123.976 122.820 0.069 0.000 2.484 880 A HA 0.394 4.714 4.320 -0.000 0.000 0.268 880 A C 0.417 177.983 177.584 -0.030 0.000 1.114 880 A CA -0.114 51.928 52.037 0.009 0.000 0.780 880 A CB -0.259 18.746 19.000 0.008 0.000 1.061 880 A HN 0.695 nan 8.150 nan 0.000 0.505 881 D N -0.495 119.852 120.400 -0.089 0.000 2.775 881 D HA -0.145 4.495 4.640 -0.000 0.000 0.235 881 D C 0.091 176.283 176.300 -0.180 0.000 1.120 881 D CA 1.586 55.516 54.000 -0.117 0.000 0.708 881 D CB -1.839 38.924 40.800 -0.061 0.000 1.084 881 D HN 1.056 nan 8.370 nan 0.000 0.434 882 A N 0.457 123.060 122.820 -0.362 0.000 2.274 882 A HA 0.693 5.013 4.320 -0.000 0.000 0.309 882 A C 0.580 177.780 177.584 -0.640 0.000 1.226 882 A CA -0.541 51.209 52.037 -0.479 0.000 0.853 882 A CB 0.924 19.545 19.000 -0.632 0.000 1.146 882 A HN 0.135 nan 8.150 nan 0.000 0.518 883 R N 2.272 122.626 120.500 -0.243 0.000 2.532 883 R HA 0.533 4.873 4.340 -0.000 0.000 0.272 883 R C -2.542 173.857 176.300 0.165 0.000 1.032 883 R CA -1.616 54.441 56.100 -0.071 0.000 1.089 883 R CB 0.671 30.953 30.300 -0.030 0.000 1.098 883 R HN 0.475 nan 8.270 nan 0.000 0.526 884 P HA 0.199 nan 4.420 nan 0.000 0.276 884 P C -1.145 176.195 177.300 0.067 0.000 1.244 884 P CA -0.318 62.886 63.100 0.172 0.000 0.801 884 P CB 1.086 32.835 31.700 0.082 0.000 1.006 885 V N -0.052 119.880 119.914 0.031 0.000 3.147 885 V HA 0.281 4.401 4.120 -0.000 0.000 0.306 885 V C -0.824 175.274 176.094 0.007 0.000 1.209 885 V CA -1.017 61.303 62.300 0.032 0.000 1.023 885 V CB 2.142 34.003 31.823 0.063 0.000 1.059 885 V HN 0.583 nan 8.190 nan 0.000 0.435 886 E N 3.467 123.684 120.200 0.028 0.000 2.289 886 E HA 0.468 4.818 4.350 -0.000 0.000 0.278 886 E C -1.362 175.204 176.600 -0.058 0.000 1.032 886 E CA -0.230 56.172 56.400 0.003 0.000 0.854 886 E CB 0.933 30.654 29.700 0.035 0.000 1.046 886 E HN 0.540 nan 8.360 nan 0.000 0.409 887 L N 4.680 125.814 121.223 -0.147 0.000 2.286 887 L HA 0.524 4.864 4.340 -0.000 0.000 0.265 887 L C -2.070 174.689 176.870 -0.184 0.000 1.012 887 L CA -2.426 52.209 54.840 -0.342 0.000 0.818 887 L CB 1.422 43.305 42.059 -0.293 0.000 1.337 887 L HN 0.498 nan 8.230 nan 0.000 0.438 888 P HA 0.071 nan 4.420 nan 0.000 0.271 888 P C -0.745 176.552 177.300 -0.006 0.000 1.238 888 P CA -0.240 62.827 63.100 -0.054 0.000 0.794 888 P CB 0.594 32.265 31.700 -0.048 0.000 0.959 889 V N 0.367 120.311 119.914 0.051 0.000 2.975 889 V HA 0.192 4.312 4.120 -0.000 0.000 0.318 889 V C -0.260 175.888 176.094 0.090 0.000 1.077 889 V CA -0.764 61.611 62.300 0.124 0.000 1.000 889 V CB 1.099 33.031 31.823 0.181 0.000 1.066 889 V HN 0.400 nan 8.190 nan 0.000 0.452 890 Y N 6.026 126.312 120.300 -0.024 0.000 2.810 890 Y HA 0.123 4.673 4.550 0.000 0.000 0.332 890 Y C -1.817 173.797 175.900 -0.476 0.000 1.243 890 Y CA -1.342 56.602 58.100 -0.259 0.000 1.537 890 Y CB 0.656 38.872 38.460 -0.406 0.000 1.265 890 Y HN 0.371 nan 8.280 nan 0.000 0.572 891 P HA 0.094 nan 4.420 nan 0.000 0.266 891 P C -1.074 175.932 177.300 -0.490 0.000 1.586 891 P CA -0.039 62.778 63.100 -0.470 0.000 1.088 891 P CB -0.576 30.895 31.700 -0.382 0.000 1.584 892 F N 1.716 121.602 119.950 -0.106 0.000 2.608 892 F HA 0.007 4.534 4.527 0.000 0.000 0.380 892 F C 1.614 177.366 175.800 -0.081 0.000 1.083 892 F CA 0.731 58.697 58.000 -0.056 0.000 1.266 892 F CB 0.261 39.209 39.000 -0.087 0.000 1.076 892 F HN 0.194 nan 8.300 nan 0.000 0.574 893 Q N 5.119 124.974 119.800 0.092 0.000 2.490 893 Q HA 0.268 4.608 4.340 -0.000 0.000 0.226 893 Q C -0.066 175.953 176.000 0.032 0.000 1.132 893 Q CA -0.065 55.747 55.803 0.016 0.000 0.928 893 Q CB 0.588 29.311 28.738 -0.025 0.000 1.299 893 Q HN 0.613 nan 8.270 nan 0.000 0.528 894 R N 1.089 121.612 120.500 0.038 0.000 2.573 894 R HA 0.495 4.835 4.340 -0.000 0.000 0.272 894 R C 0.039 176.338 176.300 -0.001 0.000 1.009 894 R CA -0.416 55.711 56.100 0.045 0.000 1.059 894 R CB 1.335 31.675 30.300 0.067 0.000 1.112 894 R HN 0.431 nan 8.270 nan 0.000 0.517 895 Q N 0.948 120.738 119.800 -0.017 0.000 2.379 895 Q HA 0.278 4.618 4.340 -0.000 0.000 0.278 895 Q C -1.119 174.694 176.000 -0.311 0.000 1.068 895 Q CA -0.978 54.709 55.803 -0.193 0.000 0.816 895 Q CB 3.232 31.785 28.738 -0.308 0.000 1.387 895 Q HN 0.410 nan 8.270 nan 0.000 0.413 896 R N 1.693 122.015 120.500 -0.298 0.000 2.298 896 R HA 0.298 4.638 4.340 -0.000 0.000 0.310 896 R C -1.519 174.583 176.300 -0.329 0.000 1.068 896 R CA 0.174 56.169 56.100 -0.175 0.000 0.957 896 R CB 0.393 30.642 30.300 -0.085 0.000 1.003 896 R HN 0.506 nan 8.270 nan 0.000 0.454 897 Y N 4.086 124.517 120.300 0.219 0.000 2.376 897 Y HA 0.472 5.022 4.550 -0.000 0.000 0.340 897 Y C -0.601 175.550 175.900 0.419 0.000 0.965 897 Y CA -0.645 57.601 58.100 0.244 0.000 1.078 897 Y CB 1.692 40.260 38.460 0.181 0.000 1.193 897 Y HN 0.521 nan 8.280 nan 0.000 0.452 898 W N 5.884 127.348 121.300 0.273 0.000 3.615 898 W HA 0.460 5.120 4.660 0.000 0.000 0.319 898 W C -2.371 174.288 176.519 0.233 0.000 1.172 898 W CA -0.861 56.663 57.345 0.298 0.000 1.240 898 W CB 1.662 31.233 29.460 0.185 0.000 1.313 898 W HN 0.459 nan 8.180 nan 0.000 0.487 899 L N 8.392 129.535 121.223 -0.134 0.000 2.280 899 L HA 0.385 4.725 4.340 -0.000 0.000 0.287 899 L C -1.610 175.017 176.870 -0.404 0.000 1.023 899 L CA -1.602 53.090 54.840 -0.247 0.000 0.819 899 L CB 1.727 43.564 42.059 -0.370 0.000 1.212 899 L HN 0.160 nan 8.230 nan 0.000 0.420 900 P HA 0.424 nan 4.420 nan 0.000 0.312 900 P C -0.571 176.693 177.300 -0.060 0.000 1.308 900 P CA -0.324 62.803 63.100 0.045 0.000 0.743 900 P CB 1.452 33.261 31.700 0.181 0.000 1.364 901 I N 0.000 120.580 120.570 0.017 0.000 2.984 901 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 901 I CA 0.000 61.288 61.300 -0.019 0.000 1.566 901 I CB 0.000 37.983 38.000 -0.028 0.000 1.214 901 I HN 0.000 nan 8.210 nan 0.000 0.494