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 2o0d_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKTWPAPTAP TPVRATVTVP GSKSQTNRAL VLAALAAAQG RGASTISGAL DATA SEQUENCE RSRDTELMLD ALQTLGLRVD GVGSELTVSG RIEPGPGARV DCGLAGTVLR DATA SEQUENCE FVPPLAALGS VPVTFDGDQQ ARGRPIAPLL DALRELGVAV DGTGLPFRVR DATA SEQUENCE GNGSLAGGTV AIDASASSQF VSGLLLSAAS FTDGLTVQHT GSSLPSAPHI DATA SEQUENCE AMTAAMLRQA GVDIDDSTPN RWQVRPGPVA ARRWDIEPDL TNAVAFLSAA DATA SEQUENCE VVSGGTVRIT GWPRVSVQPA DHILAILRQL NAVVIHADSS LEVRGPTGYD DATA SEQUENCE GFDVDLRAVG ELTPSVAALA ALASPGSVSR LSGIAHLRGH ETDRLAALST DATA SEQUENCE EINRLGGTCR ETPDGLVITA TPLRPGIWRA YADHRMAMAG AIIGLRVAGV DATA SEQUENCE EVDDIAATTK TLPEFPRLWA EMVG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.323 176.300 0.039 0.000 1.140 1 M CA 0.000 55.316 55.300 0.026 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 K N 2.889 123.320 120.400 0.051 0.000 2.436 2 K HA 0.285 4.601 4.320 -0.007 0.000 0.275 2 K C 0.070 176.727 176.600 0.096 0.000 0.999 2 K CA 0.520 56.846 56.287 0.065 0.000 0.980 2 K CB 0.810 33.351 32.500 0.069 0.000 0.919 2 K HN 0.739 nan 8.250 nan 0.000 0.484 3 T N 0.676 115.289 114.554 0.099 0.000 2.698 3 T HA 0.109 4.455 4.350 -0.007 0.000 0.295 3 T C -0.557 174.276 174.700 0.223 0.000 1.007 3 T CA -0.577 61.610 62.100 0.145 0.000 0.980 3 T CB 0.436 69.374 68.868 0.117 0.000 1.036 3 T HN 0.715 nan 8.240 nan 0.000 0.526 4 W N 3.152 124.480 121.300 0.047 0.000 2.424 4 W HA 0.490 5.146 4.660 -0.007 0.000 0.318 4 W C -2.700 173.851 176.519 0.054 0.000 1.016 4 W CA -2.915 54.461 57.345 0.052 0.000 1.268 4 W CB 1.554 31.050 29.460 0.059 0.000 1.297 4 W HN 0.536 nan 8.180 nan 0.000 0.428 5 P HA 0.213 nan 4.420 nan 0.000 0.282 5 P C -0.506 176.288 177.300 -0.844 0.000 1.262 5 P CA 0.073 62.930 63.100 -0.405 0.000 0.773 5 P CB 1.202 32.736 31.700 -0.276 0.000 0.879 6 A N 6.752 129.247 122.820 -0.543 0.000 2.354 6 A HA 0.462 4.777 4.320 -0.007 0.000 0.281 6 A C -1.955 175.469 177.584 -0.267 0.000 1.174 6 A CA -1.497 50.211 52.037 -0.549 0.000 0.828 6 A CB -0.744 18.208 19.000 -0.080 0.000 1.099 6 A HN 0.401 nan 8.150 nan 0.000 0.516 7 P HA 0.166 nan 4.420 nan 0.000 0.268 7 P C 0.326 177.635 177.300 0.015 0.000 1.205 7 P CA 0.168 63.230 63.100 -0.065 0.000 0.771 7 P CB 0.591 32.287 31.700 -0.007 0.000 0.858 8 T N -1.043 113.504 114.554 -0.012 0.000 2.882 8 T HA 0.572 4.918 4.350 -0.007 0.000 0.287 8 T C 0.223 174.920 174.700 -0.004 0.000 1.014 8 T CA -0.827 61.276 62.100 0.005 0.000 1.049 8 T CB 0.764 69.629 68.868 -0.005 0.000 1.001 8 T HN 0.410 nan 8.240 nan 0.000 0.525 9 A N 2.834 125.655 122.820 0.002 0.000 2.786 9 A HA 0.557 4.873 4.320 -0.007 0.000 0.346 9 A C -1.415 176.164 177.584 -0.008 0.000 1.265 9 A CA -1.517 50.512 52.037 -0.014 0.000 0.858 9 A CB 0.205 19.194 19.000 -0.018 0.000 1.118 9 A HN 0.728 nan 8.150 nan 0.000 0.482 10 P HA -0.015 nan 4.420 nan 0.000 0.230 10 P C 0.604 177.899 177.300 -0.009 0.000 1.158 10 P CA 1.403 64.498 63.100 -0.008 0.000 0.769 10 P CB 0.055 31.748 31.700 -0.011 0.000 0.807 11 T N -4.958 109.588 114.554 -0.014 0.000 2.865 11 T HA 0.591 4.937 4.350 -0.007 0.000 0.294 11 T C -3.214 171.476 174.700 -0.017 0.000 1.119 11 T CA -2.571 59.521 62.100 -0.014 0.000 1.007 11 T CB 1.197 70.055 68.868 -0.016 0.000 1.225 11 T HN -0.335 nan 8.240 nan 0.000 0.515 12 P HA 0.270 nan 4.420 nan 0.000 0.265 12 P C -0.481 176.798 177.300 -0.034 0.000 1.193 12 P CA -0.436 62.653 63.100 -0.019 0.000 0.765 12 P CB 0.284 31.975 31.700 -0.014 0.000 0.823 13 V N 5.495 125.382 119.914 -0.045 0.000 2.637 13 V HA 0.162 4.278 4.120 -0.007 0.000 0.296 13 V C 0.846 176.903 176.094 -0.061 0.000 1.046 13 V CA 0.356 62.613 62.300 -0.072 0.000 1.066 13 V CB -0.001 31.758 31.823 -0.107 0.000 0.968 13 V HN 0.481 nan 8.190 nan 0.000 0.483 14 R N 3.229 123.691 120.500 -0.063 0.000 2.502 14 R HA 0.772 5.108 4.340 -0.007 0.000 0.298 14 R C -0.841 175.425 176.300 -0.056 0.000 1.018 14 R CA -0.253 55.816 56.100 -0.052 0.000 0.899 14 R CB 2.047 32.322 30.300 -0.041 0.000 1.181 14 R HN 0.869 nan 8.270 nan 0.000 0.444 15 A N 1.464 124.251 122.820 -0.055 0.000 2.605 15 A HA 0.582 4.898 4.320 -0.007 0.000 0.294 15 A C -1.097 176.456 177.584 -0.051 0.000 1.062 15 A CA -0.671 51.332 52.037 -0.056 0.000 0.682 15 A CB 2.082 21.039 19.000 -0.071 0.000 1.278 15 A HN 0.404 nan 8.150 nan 0.000 0.410 16 T N 1.297 115.821 114.554 -0.050 0.000 2.771 16 T HA 0.598 4.943 4.350 -0.007 0.000 0.281 16 T C -0.674 173.984 174.700 -0.071 0.000 0.982 16 T CA -0.268 61.802 62.100 -0.050 0.000 0.978 16 T CB 1.019 69.865 68.868 -0.037 0.000 0.930 16 T HN 0.724 nan 8.240 nan 0.000 0.447 17 V N 3.330 123.189 119.914 -0.091 0.000 2.656 17 V HA 0.531 4.647 4.120 -0.007 0.000 0.307 17 V C 0.044 176.046 176.094 -0.154 0.000 1.051 17 V CA -0.824 61.370 62.300 -0.177 0.000 0.893 17 V CB 2.354 33.983 31.823 -0.323 0.000 0.999 17 V HN 0.908 nan 8.190 nan 0.000 0.426 18 T N 4.097 118.553 114.554 -0.162 0.000 2.770 18 T HA 0.549 4.895 4.350 -0.007 0.000 0.283 18 T C -0.268 174.340 174.700 -0.154 0.000 0.988 18 T CA -0.365 61.671 62.100 -0.108 0.000 0.957 18 T CB 1.299 70.133 68.868 -0.057 0.000 0.930 18 T HN 0.686 nan 8.240 nan 0.000 0.443 19 V N 2.932 122.777 119.914 -0.115 0.000 2.612 19 V HA 0.763 4.879 4.120 -0.007 0.000 0.301 19 V C -2.195 173.894 176.094 -0.009 0.000 1.046 19 V CA -2.391 59.861 62.300 -0.079 0.000 0.946 19 V CB 0.900 32.712 31.823 -0.020 0.000 1.003 19 V HN 0.567 nan 8.190 nan 0.000 0.459 20 P HA 0.291 nan 4.420 nan 0.000 0.293 20 P C 0.400 177.715 177.300 0.025 0.000 1.298 20 P CA 0.096 63.211 63.100 0.026 0.000 0.757 20 P CB 0.323 32.048 31.700 0.041 0.000 1.262 21 G N -0.473 108.340 108.800 0.021 0.000 2.636 21 G HA2 0.201 4.157 3.960 -0.007 0.000 0.246 21 G HA3 0.201 4.157 3.960 -0.007 0.000 0.246 21 G C -0.042 174.868 174.900 0.016 0.000 1.216 21 G CA -0.263 44.844 45.100 0.013 0.000 0.854 21 G HN 0.516 nan 8.290 nan 0.000 0.572 22 S N -0.196 115.507 115.700 0.004 0.000 2.515 22 S HA 0.026 4.491 4.470 -0.007 0.000 0.285 22 S C 1.648 176.259 174.600 0.019 0.000 1.265 22 S CA -0.256 57.950 58.200 0.011 0.000 1.079 22 S CB 0.718 63.915 63.200 -0.004 0.000 0.877 22 S HN 0.676 nan 8.310 nan 0.000 0.493 23 K N 3.861 124.279 120.400 0.029 0.000 2.057 23 K HA -0.076 4.240 4.320 -0.007 0.000 0.207 23 K C 1.870 178.481 176.600 0.019 0.000 1.049 23 K CA 1.894 58.188 56.287 0.011 0.000 0.931 23 K CB -0.706 31.795 32.500 0.003 0.000 0.714 23 K HN 0.657 nan 8.250 nan 0.000 0.440 24 S N 1.161 116.895 115.700 0.056 0.000 2.368 24 S HA -0.153 4.313 4.470 -0.007 0.000 0.225 24 S C 1.954 176.603 174.600 0.082 0.000 1.030 24 S CA 1.247 59.509 58.200 0.104 0.000 0.999 24 S CB -0.135 63.201 63.200 0.227 0.000 0.844 24 S HN 0.440 nan 8.310 nan 0.000 0.459 25 Q N 0.424 120.246 119.800 0.037 0.000 2.083 25 Q HA -0.091 4.244 4.340 -0.007 0.000 0.198 25 Q C 1.937 177.903 176.000 -0.056 0.000 0.969 25 Q CA 1.378 57.174 55.803 -0.011 0.000 0.838 25 Q CB -0.216 28.521 28.738 -0.001 0.000 0.900 25 Q HN 0.461 nan 8.270 nan 0.000 0.436 26 T N 1.346 115.881 114.554 -0.032 0.000 2.684 26 T HA -0.116 4.230 4.350 -0.007 0.000 0.267 26 T C 1.481 176.137 174.700 -0.073 0.000 1.036 26 T CA 1.508 63.576 62.100 -0.054 0.000 1.148 26 T CB -0.244 68.609 68.868 -0.024 0.000 0.863 26 T HN 0.295 nan 8.240 nan 0.000 0.436 27 N N 0.606 119.292 118.700 -0.022 0.000 2.270 27 N HA 0.052 4.788 4.740 -0.007 0.000 0.181 27 N C 1.997 177.528 175.510 0.035 0.000 1.016 27 N CA 0.627 53.686 53.050 0.015 0.000 0.870 27 N CB -0.164 38.344 38.487 0.035 0.000 0.979 27 N HN 0.368 nan 8.380 nan 0.000 0.431 28 R N 0.446 120.943 120.500 -0.006 0.000 2.081 28 R HA 0.033 4.369 4.340 -0.007 0.000 0.235 28 R C 2.119 178.191 176.300 -0.379 0.000 1.131 28 R CA 1.380 57.384 56.100 -0.159 0.000 0.960 28 R CB -0.327 29.855 30.300 -0.196 0.000 0.856 28 R HN 0.156 nan 8.270 nan 0.000 0.436 29 A N 1.052 123.560 122.820 -0.520 0.000 1.933 29 A HA -0.127 4.189 4.320 -0.007 0.000 0.218 29 A C 2.153 179.394 177.584 -0.571 0.000 1.175 29 A CA 1.140 52.597 52.037 -0.968 0.000 0.628 29 A CB -0.498 17.965 19.000 -0.895 0.000 0.814 29 A HN 0.185 nan 8.150 nan 0.000 0.444 30 L N -0.699 120.356 121.223 -0.279 0.000 2.046 30 L HA -0.165 4.170 4.340 -0.007 0.000 0.208 30 L C 2.548 179.355 176.870 -0.105 0.000 1.077 30 L CA 1.115 55.870 54.840 -0.141 0.000 0.747 30 L CB -0.461 41.558 42.059 -0.066 0.000 0.896 30 L HN 0.254 nan 8.230 nan 0.000 0.432 31 V N -0.046 119.811 119.914 -0.095 0.000 2.343 31 V HA -0.286 3.829 4.120 -0.007 0.000 0.247 31 V C 2.325 178.367 176.094 -0.086 0.000 1.051 31 V CA 1.633 63.901 62.300 -0.054 0.000 1.036 31 V CB -0.325 31.479 31.823 -0.032 0.000 0.654 31 V HN 0.343 nan 8.190 nan 0.000 0.451 32 L N -0.113 121.005 121.223 -0.174 0.000 2.093 32 L HA -0.097 4.239 4.340 -0.007 0.000 0.208 32 L C 2.713 179.590 176.870 0.011 0.000 1.085 32 L CA 1.368 56.149 54.840 -0.098 0.000 0.755 32 L CB -0.757 41.203 42.059 -0.164 0.000 0.904 32 L HN 0.355 nan 8.230 nan 0.000 0.435 33 A N 0.149 122.953 122.820 -0.026 0.000 1.933 33 A HA -0.173 4.143 4.320 -0.007 0.000 0.218 33 A C 2.532 180.148 177.584 0.053 0.000 1.175 33 A CA 1.706 53.795 52.037 0.086 0.000 0.628 33 A CB -0.620 18.420 19.000 0.065 0.000 0.814 33 A HN 0.399 nan 8.150 nan 0.000 0.444 34 A N -0.328 122.502 122.820 0.017 0.000 1.902 34 A HA -0.030 4.286 4.320 -0.007 0.000 0.217 34 A C 2.164 179.769 177.584 0.035 0.000 1.181 34 A CA 1.507 53.559 52.037 0.026 0.000 0.623 34 A CB -0.585 18.428 19.000 0.022 0.000 0.818 34 A HN 0.461 nan 8.150 nan 0.000 0.443 35 L N -0.757 120.484 121.223 0.029 0.000 2.046 35 L HA -0.179 4.157 4.340 -0.007 0.000 0.208 35 L C 3.092 179.987 176.870 0.042 0.000 1.077 35 L CA 1.111 55.971 54.840 0.032 0.000 0.747 35 L CB -0.476 41.591 42.059 0.013 0.000 0.896 35 L HN 0.425 nan 8.230 nan 0.000 0.432 36 A N -0.141 122.714 122.820 0.058 0.000 1.902 36 A HA -0.173 4.143 4.320 -0.007 0.000 0.217 36 A C 2.505 180.120 177.584 0.051 0.000 1.181 36 A CA 1.763 53.838 52.037 0.063 0.000 0.623 36 A CB -0.774 18.283 19.000 0.094 0.000 0.818 36 A HN 0.397 nan 8.150 nan 0.000 0.443 37 A N -0.285 122.566 122.820 0.053 0.000 1.930 37 A HA 0.217 4.532 4.320 -0.007 0.000 0.217 37 A C 2.441 180.047 177.584 0.036 0.000 1.175 37 A CA 1.877 53.939 52.037 0.043 0.000 0.627 37 A CB -0.880 18.145 19.000 0.041 0.000 0.815 37 A HN 1.050 nan 8.150 nan 0.000 0.443 38 A N -0.776 122.067 122.820 0.038 0.000 2.015 38 A HA -0.134 4.182 4.320 -0.007 0.000 0.219 38 A C 1.959 179.565 177.584 0.035 0.000 1.163 38 A CA 1.336 53.395 52.037 0.036 0.000 0.646 38 A CB -0.418 18.607 19.000 0.042 0.000 0.806 38 A HN 0.647 nan 8.150 nan 0.000 0.448 39 Q N -1.464 118.357 119.800 0.035 0.000 2.482 39 Q HA 0.200 4.536 4.340 -0.007 0.000 0.209 39 Q C 1.020 177.036 176.000 0.028 0.000 0.961 39 Q CA 0.380 56.202 55.803 0.032 0.000 0.945 39 Q CB 0.033 28.789 28.738 0.031 0.000 1.012 39 Q HN 0.871 nan 8.270 nan 0.000 0.515 40 G N 1.300 110.116 108.800 0.027 0.000 2.132 40 G HA2 -0.252 3.704 3.960 -0.007 0.000 0.234 40 G HA3 -0.252 3.704 3.960 -0.007 0.000 0.234 40 G C 0.650 175.563 174.900 0.022 0.000 0.989 40 G CA -0.065 45.049 45.100 0.023 0.000 0.676 40 G HN 0.213 nan 8.290 nan 0.000 0.522 41 R N 0.425 120.941 120.500 0.027 0.000 2.310 41 R HA 0.385 4.721 4.340 -0.007 0.000 0.202 41 R C 1.505 177.820 176.300 0.025 0.000 0.933 41 R CA 1.071 57.186 56.100 0.025 0.000 1.054 41 R CB -0.013 30.304 30.300 0.029 0.000 0.985 41 R HN 1.660 nan 8.270 nan 0.000 0.489 42 G N 0.270 109.087 108.800 0.028 0.000 2.566 42 G HA2 -0.095 3.861 3.960 -0.007 0.000 0.599 42 G HA3 -0.095 3.861 3.960 -0.007 0.000 0.599 42 G C -0.846 174.077 174.900 0.037 0.000 1.292 42 G CA -0.515 44.601 45.100 0.027 0.000 0.922 42 G HN 0.357 nan 8.290 nan 0.000 0.514 43 A N -0.481 122.360 122.820 0.035 0.000 2.322 43 A HA 0.838 5.154 4.320 -0.007 0.000 0.269 43 A C 0.634 178.254 177.584 0.060 0.000 1.094 43 A CA 0.917 52.981 52.037 0.045 0.000 0.807 43 A CB 0.779 19.801 19.000 0.036 0.000 1.047 43 A HN 1.910 nan 8.150 nan 0.000 0.487 44 S N -0.393 115.359 115.700 0.087 0.000 2.548 44 S HA 0.681 5.147 4.470 -0.007 0.000 0.286 44 S C -0.486 174.192 174.600 0.130 0.000 1.098 44 S CA -0.469 57.809 58.200 0.129 0.000 0.930 44 S CB 1.941 65.283 63.200 0.237 0.000 1.070 44 S HN 0.756 nan 8.310 nan 0.000 0.480 45 T N 2.277 116.912 114.554 0.134 0.000 2.829 45 T HA 0.588 4.934 4.350 -0.007 0.000 0.280 45 T C -0.519 174.296 174.700 0.191 0.000 0.999 45 T CA -0.375 61.797 62.100 0.121 0.000 0.983 45 T CB 0.589 69.501 68.868 0.072 0.000 0.968 45 T HN 0.423 nan 8.240 nan 0.000 0.446 46 I N 2.441 123.107 120.570 0.161 0.000 2.355 46 I HA 0.388 4.554 4.170 -0.007 0.000 0.288 46 I C 0.290 176.475 176.117 0.113 0.000 0.999 46 I CA -0.486 60.923 61.300 0.183 0.000 1.163 46 I CB 1.626 39.691 38.000 0.109 0.000 1.316 46 I HN 0.479 nan 8.210 nan 0.000 0.454 47 S N 4.366 120.134 115.700 0.113 0.000 2.489 47 S HA 0.628 5.094 4.470 -0.007 0.000 0.291 47 S C 0.822 175.459 174.600 0.061 0.000 1.151 47 S CA 0.351 58.593 58.200 0.070 0.000 1.082 47 S CB 1.187 64.421 63.200 0.058 0.000 1.019 47 S HN 1.066 nan 8.310 nan 0.000 0.492 48 G N 2.517 111.342 108.800 0.043 0.000 2.143 48 G HA2 -0.132 3.824 3.960 -0.007 0.000 0.248 48 G HA3 -0.132 3.824 3.960 -0.007 0.000 0.248 48 G C 0.378 175.297 174.900 0.031 0.000 0.991 48 G CA 0.066 45.186 45.100 0.033 0.000 0.689 48 G HN 1.471 nan 8.290 nan 0.000 0.522 49 A N -0.361 122.479 122.820 0.033 0.000 2.561 49 A HA 0.502 4.818 4.320 -0.007 0.000 0.234 49 A C 0.778 178.372 177.584 0.016 0.000 1.055 49 A CA 0.570 52.620 52.037 0.022 0.000 0.756 49 A CB 0.370 19.380 19.000 0.018 0.000 0.986 49 A HN 1.708 nan 8.150 nan 0.000 0.505 50 L N 2.802 124.032 121.223 0.011 0.000 2.455 50 L HA 0.282 4.618 4.340 -0.007 0.000 0.272 50 L C 0.124 176.997 176.870 0.006 0.000 1.174 50 L CA 0.470 55.317 54.840 0.012 0.000 0.869 50 L CB 0.258 42.324 42.059 0.011 0.000 1.130 50 L HN 0.604 nan 8.230 nan 0.000 0.474 51 R N 4.307 124.813 120.500 0.010 0.000 2.239 51 R HA 0.557 4.893 4.340 -0.007 0.000 0.332 51 R C -0.582 175.719 176.300 0.002 0.000 0.988 51 R CA -0.205 55.897 56.100 0.004 0.000 0.859 51 R CB 0.608 30.913 30.300 0.007 0.000 1.148 51 R HN 0.869 nan 8.270 nan 0.000 0.482 52 S N 0.335 116.027 115.700 -0.013 0.000 2.672 52 S HA 0.398 4.863 4.470 -0.007 0.000 0.271 52 S C 0.704 175.278 174.600 -0.045 0.000 1.171 52 S CA -1.006 57.179 58.200 -0.024 0.000 0.817 52 S CB 2.294 65.477 63.200 -0.028 0.000 1.150 52 S HN 0.538 nan 8.310 nan 0.000 0.478 53 R N 0.192 120.653 120.500 -0.065 0.000 2.081 53 R HA -0.103 4.233 4.340 -0.007 0.000 0.235 53 R C 0.852 177.101 176.300 -0.085 0.000 1.131 53 R CA 2.096 58.151 56.100 -0.073 0.000 0.960 53 R CB -0.685 29.561 30.300 -0.089 0.000 0.856 53 R HN 0.725 nan 8.270 nan 0.000 0.436 54 D N -0.726 119.607 120.400 -0.113 0.000 2.144 54 D HA -0.124 4.512 4.640 -0.007 0.000 0.199 54 D C 1.856 178.107 176.300 -0.082 0.000 0.984 54 D CA 1.960 55.891 54.000 -0.116 0.000 0.834 54 D CB -0.150 40.560 40.800 -0.151 0.000 0.955 54 D HN 0.439 nan 8.370 nan 0.000 0.465 55 T N -2.050 112.466 114.554 -0.062 0.000 3.014 55 T HA -0.033 4.313 4.350 -0.007 0.000 0.263 55 T C 1.825 176.504 174.700 -0.036 0.000 1.078 55 T CA 0.821 62.895 62.100 -0.043 0.000 1.135 55 T CB 0.068 68.918 68.868 -0.030 0.000 0.895 55 T HN -0.102 nan 8.240 nan 0.000 0.480 56 E N 1.323 121.501 120.200 -0.037 0.000 2.106 56 E HA 0.043 4.389 4.350 -0.007 0.000 0.192 56 E C 1.984 178.563 176.600 -0.035 0.000 0.984 56 E CA 0.822 57.203 56.400 -0.031 0.000 0.806 56 E CB -0.680 29.002 29.700 -0.030 0.000 0.750 56 E HN 0.562 nan 8.360 nan 0.000 0.458 57 L N -0.305 120.891 121.223 -0.045 0.000 2.083 57 L HA -0.171 4.165 4.340 -0.007 0.000 0.209 57 L C 2.441 179.291 176.870 -0.034 0.000 1.083 57 L CA 1.227 56.040 54.840 -0.045 0.000 0.752 57 L CB -0.381 41.644 42.059 -0.056 0.000 0.899 57 L HN 0.304 nan 8.230 nan 0.000 0.433 58 M N -0.158 119.423 119.600 -0.032 0.000 2.099 58 M HA -0.178 4.298 4.480 -0.007 0.000 0.262 58 M C 2.081 178.375 176.300 -0.009 0.000 1.067 58 M CA 1.653 56.944 55.300 -0.014 0.000 1.124 58 M CB -0.426 32.164 32.600 -0.016 0.000 1.353 58 M HN 0.144 nan 8.290 nan 0.000 0.410 59 L N -0.026 121.187 121.223 -0.016 0.000 1.978 59 L HA -0.323 4.013 4.340 -0.007 0.000 0.218 59 L C 1.729 178.590 176.870 -0.015 0.000 1.075 59 L CA 2.224 57.056 54.840 -0.013 0.000 0.767 59 L CB -0.767 41.283 42.059 -0.015 0.000 0.890 59 L HN 0.303 nan 8.230 nan 0.000 0.434 60 D N -0.196 120.190 120.400 -0.023 0.000 2.178 60 D HA -0.148 4.487 4.640 -0.007 0.000 0.201 60 D C 2.171 178.448 176.300 -0.037 0.000 0.980 60 D CA 1.334 55.316 54.000 -0.031 0.000 0.842 60 D CB -0.142 40.635 40.800 -0.038 0.000 0.948 60 D HN 0.555 nan 8.370 nan 0.000 0.472 61 A N 0.728 123.530 122.820 -0.031 0.000 1.902 61 A HA -0.129 4.186 4.320 -0.007 0.000 0.217 61 A C 2.371 179.946 177.584 -0.016 0.000 1.181 61 A CA 0.900 52.918 52.037 -0.032 0.000 0.623 61 A CB -0.736 18.270 19.000 0.009 0.000 0.818 61 A HN 0.216 nan 8.150 nan 0.000 0.443 62 L N -0.897 120.327 121.223 0.002 0.000 2.093 62 L HA -0.231 4.105 4.340 -0.007 0.000 0.208 62 L C 2.834 179.701 176.870 -0.004 0.000 1.085 62 L CA 1.417 56.263 54.840 0.010 0.000 0.755 62 L CB -0.643 41.424 42.059 0.013 0.000 0.904 62 L HN 0.498 nan 8.230 nan 0.000 0.435 63 Q N -0.698 119.093 119.800 -0.014 0.000 2.167 63 Q HA -0.142 4.194 4.340 -0.007 0.000 0.202 63 Q C 2.151 178.134 176.000 -0.030 0.000 0.970 63 Q CA 1.670 57.462 55.803 -0.018 0.000 0.855 63 Q CB -0.157 28.569 28.738 -0.019 0.000 0.911 63 Q HN 0.467 nan 8.270 nan 0.000 0.438 64 T N 1.479 116.005 114.554 -0.047 0.000 2.833 64 T HA -0.073 4.273 4.350 -0.007 0.000 0.269 64 T C 1.649 176.312 174.700 -0.062 0.000 1.054 64 T CA 0.797 62.854 62.100 -0.071 0.000 1.135 64 T CB -0.034 68.765 68.868 -0.115 0.000 0.869 64 T HN 0.219 nan 8.240 nan 0.000 0.466 65 L N 0.000 121.199 121.223 -0.040 0.000 2.599 65 L HA 0.226 4.562 4.340 -0.007 0.000 0.230 65 L C 2.049 178.916 176.870 -0.005 0.000 1.141 65 L CA 0.577 55.407 54.840 -0.017 0.000 0.877 65 L CB -0.286 41.782 42.059 0.015 0.000 1.009 65 L HN 0.523 nan 8.230 nan 0.000 0.447 66 G N -0.347 108.447 108.800 -0.010 0.000 2.201 66 G HA2 -0.218 3.738 3.960 -0.007 0.000 0.212 66 G HA3 -0.218 3.738 3.960 -0.007 0.000 0.212 66 G C 0.199 175.100 174.900 0.002 0.000 0.994 66 G CA -0.429 44.669 45.100 -0.004 0.000 0.644 66 G HN 0.142 nan 8.290 nan 0.000 0.508 67 L N 0.347 121.573 121.223 0.006 0.000 2.476 67 L HA 0.609 4.944 4.340 -0.007 0.000 0.255 67 L C 1.149 178.022 176.870 0.005 0.000 1.218 67 L CA -0.496 54.350 54.840 0.010 0.000 0.819 67 L CB 0.518 42.586 42.059 0.015 0.000 1.119 67 L HN 0.254 nan 8.230 nan 0.000 0.485 68 R N 0.256 120.761 120.500 0.009 0.000 2.445 68 R HA 0.644 4.979 4.340 -0.007 0.000 0.308 68 R C -1.841 174.464 176.300 0.010 0.000 0.961 68 R CA -0.524 55.580 56.100 0.007 0.000 0.862 68 R CB 1.453 31.758 30.300 0.008 0.000 1.144 68 R HN 0.406 nan 8.270 nan 0.000 0.447 69 V N 4.712 124.630 119.914 0.006 0.000 2.409 69 V HA 0.276 4.392 4.120 -0.007 0.000 0.290 69 V C -0.776 175.323 176.094 0.008 0.000 1.017 69 V CA -0.936 61.369 62.300 0.009 0.000 0.841 69 V CB 1.560 33.385 31.823 0.004 0.000 1.003 69 V HN 0.801 nan 8.190 nan 0.000 0.426 70 D N 3.274 123.681 120.400 0.012 0.000 2.193 70 D HA 0.747 5.383 4.640 -0.007 0.000 0.249 70 D C 0.395 176.703 176.300 0.013 0.000 1.034 70 D CA 0.274 54.281 54.000 0.011 0.000 0.902 70 D CB 2.278 43.086 40.800 0.013 0.000 1.182 70 D HN 0.937 nan 8.370 nan 0.000 0.436 71 G N -0.634 108.172 108.800 0.011 0.000 2.350 71 G HA2 0.103 4.059 3.960 -0.007 0.000 0.274 71 G HA3 0.103 4.059 3.960 -0.007 0.000 0.274 71 G C 0.226 175.132 174.900 0.010 0.000 1.621 71 G CA -0.230 44.877 45.100 0.013 0.000 0.935 71 G HN 0.396 nan 8.290 nan 0.000 0.694 72 V N 0.638 120.558 119.914 0.010 0.000 3.590 72 V HA 0.675 4.791 4.120 -0.007 0.000 0.265 72 V C 1.209 177.309 176.094 0.010 0.000 1.239 72 V CA 2.073 64.378 62.300 0.008 0.000 1.117 72 V CB 0.117 31.944 31.823 0.008 0.000 0.818 72 V HN 1.553 nan 8.190 nan 0.000 0.451 73 G N 0.970 109.777 108.800 0.012 0.000 3.247 73 G HA2 0.359 4.315 3.960 -0.007 0.000 0.163 73 G HA3 0.359 4.315 3.960 -0.007 0.000 0.163 73 G C 0.757 175.666 174.900 0.015 0.000 1.206 73 G CA 0.479 45.587 45.100 0.013 0.000 0.918 73 G HN 0.554 nan 8.290 nan 0.000 0.625 74 S N -0.599 115.111 115.700 0.017 0.000 2.593 74 S HA 0.234 4.700 4.470 -0.007 0.000 0.217 74 S C 0.014 174.630 174.600 0.025 0.000 0.966 74 S CA 0.173 58.385 58.200 0.020 0.000 0.914 74 S CB 0.249 63.462 63.200 0.020 0.000 0.776 74 S HN 0.275 nan 8.310 nan 0.000 0.523 75 E N 1.566 121.781 120.200 0.025 0.000 2.092 75 E HA 0.555 4.901 4.350 -0.007 0.000 0.271 75 E C -1.036 175.582 176.600 0.031 0.000 0.919 75 E CA -0.152 56.267 56.400 0.032 0.000 0.760 75 E CB 1.198 30.915 29.700 0.029 0.000 1.106 75 E HN 0.394 nan 8.360 nan 0.000 0.408 76 L N 2.547 123.792 121.223 0.037 0.000 2.322 76 L HA 0.567 4.903 4.340 -0.007 0.000 0.281 76 L C -0.169 176.728 176.870 0.044 0.000 1.014 76 L CA -0.678 54.181 54.840 0.032 0.000 0.815 76 L CB 1.958 44.030 42.059 0.022 0.000 1.247 76 L HN 0.359 nan 8.230 nan 0.000 0.421 77 T N 2.303 116.879 114.554 0.037 0.000 2.792 77 T HA 0.497 4.843 4.350 -0.007 0.000 0.280 77 T C -0.290 174.433 174.700 0.038 0.000 0.990 77 T CA -0.397 61.729 62.100 0.044 0.000 0.960 77 T CB 2.041 70.931 68.868 0.037 0.000 0.939 77 T HN 0.157 nan 8.240 nan 0.000 0.439 78 V N 3.783 123.726 119.914 0.048 0.000 2.435 78 V HA 0.819 4.935 4.120 -0.007 0.000 0.290 78 V C 0.116 176.234 176.094 0.040 0.000 1.030 78 V CA -0.515 61.808 62.300 0.039 0.000 0.881 78 V CB 1.491 33.338 31.823 0.040 0.000 0.983 78 V HN 1.107 nan 8.190 nan 0.000 0.445 79 S N 2.597 118.316 115.700 0.030 0.000 2.656 79 S HA 1.001 5.467 4.470 -0.007 0.000 0.273 79 S C -0.198 174.416 174.600 0.024 0.000 1.168 79 S CA 0.026 58.243 58.200 0.029 0.000 0.817 79 S CB 1.862 65.077 63.200 0.025 0.000 1.146 79 S HN 2.191 nan 8.310 nan 0.000 0.475 80 G N 0.722 109.536 108.800 0.023 0.000 2.428 80 G HA2 0.174 4.130 3.960 -0.007 0.000 0.202 80 G HA3 0.174 4.130 3.960 -0.007 0.000 0.202 80 G C -1.572 173.341 174.900 0.022 0.000 1.247 80 G CA -0.774 44.338 45.100 0.019 0.000 1.020 80 G HN 0.786 nan 8.290 nan 0.000 0.529 81 R N -0.912 119.600 120.500 0.019 0.000 2.854 81 R HA 0.622 4.958 4.340 -0.007 0.000 0.271 81 R C -0.175 176.139 176.300 0.023 0.000 0.994 81 R CA -1.059 55.054 56.100 0.022 0.000 0.945 81 R CB 1.327 31.638 30.300 0.019 0.000 1.194 81 R HN 0.551 nan 8.270 nan 0.000 0.476 82 I N 2.789 123.376 120.570 0.029 0.000 2.347 82 I HA 0.064 4.229 4.170 -0.007 0.000 0.294 82 I C 0.399 176.530 176.117 0.024 0.000 1.090 82 I CA 0.581 61.899 61.300 0.030 0.000 1.314 82 I CB 0.274 38.300 38.000 0.044 0.000 1.423 82 I HN 0.507 nan 8.210 nan 0.000 0.503 83 E N 6.779 126.988 120.200 0.015 0.000 3.191 83 E HA 0.346 4.692 4.350 -0.007 0.000 0.303 83 E C -2.851 173.750 176.600 0.001 0.000 1.197 83 E CA -1.709 54.697 56.400 0.010 0.000 0.901 83 E CB 0.438 30.143 29.700 0.009 0.000 1.446 83 E HN 0.215 nan 8.360 nan 0.000 0.385 84 P HA 0.166 nan 4.420 nan 0.000 0.271 84 P C 0.569 177.858 177.300 -0.018 0.000 1.218 84 P CA 0.065 63.155 63.100 -0.016 0.000 0.780 84 P CB 0.961 32.648 31.700 -0.022 0.000 0.901 85 G N 2.294 111.077 108.800 -0.027 0.000 2.616 85 G HA2 0.383 4.339 3.960 -0.007 0.000 0.268 85 G HA3 0.383 4.339 3.960 -0.007 0.000 0.268 85 G C -2.510 172.374 174.900 -0.028 0.000 1.213 85 G CA -1.232 43.853 45.100 -0.025 0.000 0.926 85 G HN 0.321 nan 8.290 nan 0.000 0.523 86 P HA 0.230 nan 4.420 nan 0.000 0.268 86 P C 0.809 178.090 177.300 -0.033 0.000 1.204 86 P CA 1.328 64.415 63.100 -0.023 0.000 0.768 86 P CB 0.991 32.680 31.700 -0.018 0.000 0.842 87 G N 1.981 110.760 108.800 -0.036 0.000 2.143 87 G HA2 -0.194 3.761 3.960 -0.007 0.000 0.248 87 G HA3 -0.194 3.761 3.960 -0.007 0.000 0.248 87 G C 0.464 175.321 174.900 -0.071 0.000 0.991 87 G CA -0.072 44.999 45.100 -0.047 0.000 0.689 87 G HN 0.851 nan 8.290 nan 0.000 0.522 88 A N -0.080 122.693 122.820 -0.078 0.000 2.567 88 A HA 0.507 4.823 4.320 -0.007 0.000 0.240 88 A C 0.847 178.326 177.584 -0.175 0.000 1.053 88 A CA 1.271 53.239 52.037 -0.115 0.000 0.755 88 A CB 0.148 19.083 19.000 -0.110 0.000 0.978 88 A HN 0.969 nan 8.150 nan 0.000 0.507 89 R N 3.083 123.463 120.500 -0.201 0.000 2.500 89 R HA 0.468 4.804 4.340 -0.007 0.000 0.299 89 R C -1.771 174.348 176.300 -0.301 0.000 1.038 89 R CA -0.462 55.483 56.100 -0.258 0.000 0.903 89 R CB 1.427 31.623 30.300 -0.174 0.000 1.177 89 R HN 0.518 nan 8.270 nan 0.000 0.455 90 V N 3.737 123.351 119.914 -0.500 0.000 2.461 90 V HA 0.072 4.188 4.120 -0.007 0.000 0.275 90 V C 0.093 176.031 176.094 -0.260 0.000 1.047 90 V CA -0.239 61.809 62.300 -0.419 0.000 0.955 90 V CB 1.342 32.754 31.823 -0.685 0.000 0.988 90 V HN 0.642 nan 8.190 nan 0.000 0.471 91 D N 3.610 123.920 120.400 -0.150 0.000 2.339 91 D HA 0.173 4.809 4.640 -0.007 0.000 0.241 91 D C 0.615 176.885 176.300 -0.051 0.000 1.183 91 D CA -0.265 53.680 54.000 -0.092 0.000 0.859 91 D CB 1.150 41.904 40.800 -0.076 0.000 1.067 91 D HN 0.575 nan 8.370 nan 0.000 0.484 92 C N 3.348 122.636 119.300 -0.019 0.000 2.618 92 C HA 0.417 4.873 4.460 -0.007 0.000 0.264 92 C C 1.736 176.711 174.990 -0.026 0.000 1.334 92 C CA 0.174 59.195 59.018 0.006 0.000 1.731 92 C CB -1.365 26.408 27.740 0.055 0.000 1.852 92 C HN 0.894 nan 8.230 nan 0.000 0.566 93 G N 1.327 110.106 108.800 -0.035 0.000 2.651 93 G HA2 -0.324 3.632 3.960 -0.007 0.000 0.315 93 G HA3 -0.324 3.632 3.960 -0.007 0.000 0.315 93 G C 0.228 175.102 174.900 -0.043 0.000 1.258 93 G CA 0.687 45.760 45.100 -0.045 0.000 1.002 93 G HN 0.465 nan 8.290 nan 0.000 0.551 94 L N 1.754 122.939 121.223 -0.064 0.000 2.910 94 L HA 0.738 5.074 4.340 -0.007 0.000 0.252 94 L C 1.658 178.466 176.870 -0.102 0.000 1.195 94 L CA 0.922 55.721 54.840 -0.068 0.000 1.003 94 L CB -0.102 41.916 42.059 -0.069 0.000 1.328 94 L HN 1.171 nan 8.230 nan 0.000 0.540 95 A N -0.560 122.195 122.820 -0.108 0.000 2.437 95 A HA 0.515 4.831 4.320 -0.007 0.000 0.303 95 A C 1.552 179.040 177.584 -0.161 0.000 1.324 95 A CA 0.292 52.239 52.037 -0.148 0.000 0.983 95 A CB -0.119 18.797 19.000 -0.139 0.000 1.142 95 A HN 0.463 nan 8.150 nan 0.000 0.541 96 G N 2.008 110.689 108.800 -0.198 0.000 2.440 96 G HA2 -0.288 3.668 3.960 -0.007 0.000 0.218 96 G HA3 -0.288 3.668 3.960 -0.007 0.000 0.218 96 G C 1.577 176.260 174.900 -0.361 0.000 1.154 96 G CA 1.782 46.749 45.100 -0.221 0.000 0.767 96 G HN 0.889 nan 8.290 nan 0.000 0.552 97 T N -0.856 113.387 114.554 -0.518 0.000 2.833 97 T HA -0.067 4.279 4.350 -0.007 0.000 0.269 97 T C 2.259 176.570 174.700 -0.648 0.000 1.054 97 T CA 1.386 62.880 62.100 -1.010 0.000 1.135 97 T CB -0.338 68.023 68.868 -0.846 0.000 0.869 97 T HN 0.045 nan 8.240 nan 0.000 0.466 98 V N 1.366 121.114 119.914 -0.278 0.000 2.323 98 V HA 0.009 4.125 4.120 -0.007 0.000 0.244 98 V C 2.532 178.634 176.094 0.013 0.000 1.041 98 V CA 1.304 63.559 62.300 -0.074 0.000 1.025 98 V CB -0.811 30.998 31.823 -0.022 0.000 0.656 98 V HN 0.393 nan 8.190 nan 0.000 0.451 99 L N 0.136 121.353 121.223 -0.010 0.000 2.079 99 L HA -0.164 4.171 4.340 -0.007 0.000 0.210 99 L C 2.355 179.260 176.870 0.058 0.000 1.081 99 L CA 2.095 56.979 54.840 0.073 0.000 0.752 99 L CB -0.418 41.681 42.059 0.067 0.000 0.896 99 L HN 0.163 nan 8.230 nan 0.000 0.433 100 R N -2.450 118.047 120.500 -0.005 0.000 2.206 100 R HA 0.158 4.493 4.340 -0.007 0.000 0.198 100 R C 1.641 178.108 176.300 0.278 0.000 0.986 100 R CA 0.580 56.750 56.100 0.117 0.000 1.029 100 R CB -0.151 30.231 30.300 0.137 0.000 0.966 100 R HN 0.248 nan 8.270 nan 0.000 0.487 101 F N -1.089 118.877 119.950 0.025 0.000 2.656 101 F HA 0.181 4.704 4.527 -0.006 0.000 0.291 101 F C 1.790 177.616 175.800 0.044 0.000 1.122 101 F CA -0.147 57.864 58.000 0.017 0.000 1.427 101 F CB -0.306 38.691 39.000 -0.006 0.000 1.125 101 F HN -0.261 nan 8.300 nan 0.000 0.583 102 V N 0.659 120.723 119.914 0.249 0.000 2.725 102 V HA -0.025 4.091 4.120 -0.007 0.000 0.247 102 V C -0.613 175.618 176.094 0.228 0.000 1.058 102 V CA 0.951 63.413 62.300 0.269 0.000 1.080 102 V CB -1.356 30.680 31.823 0.354 0.000 0.713 102 V HN 0.069 nan 8.190 nan 0.000 0.465 103 P HA -0.096 nan 4.420 nan 0.000 0.215 103 P C -1.452 175.872 177.300 0.041 0.000 1.153 103 P CA 1.719 64.695 63.100 -0.206 0.000 0.853 103 P CB -1.118 30.345 31.700 -0.396 0.000 0.788 104 P HA -0.079 nan 4.420 nan 0.000 0.225 104 P C 1.328 178.740 177.300 0.185 0.000 1.148 104 P CA 1.070 64.254 63.100 0.141 0.000 0.779 104 P CB -0.391 31.424 31.700 0.191 0.000 0.780 105 L N -1.455 119.875 121.223 0.179 0.000 2.168 105 L HA 0.021 4.357 4.340 -0.007 0.000 0.203 105 L C 2.391 179.364 176.870 0.170 0.000 1.078 105 L CA 1.017 55.960 54.840 0.171 0.000 0.780 105 L CB -0.910 41.246 42.059 0.162 0.000 0.939 105 L HN -0.061 nan 8.230 nan 0.000 0.451 106 A N 0.212 123.169 122.820 0.229 0.000 1.933 106 A HA -0.181 4.134 4.320 -0.007 0.000 0.218 106 A C 2.385 180.057 177.584 0.146 0.000 1.175 106 A CA 1.750 53.919 52.037 0.219 0.000 0.628 106 A CB -0.580 18.652 19.000 0.387 0.000 0.814 106 A HN 0.400 nan 8.150 nan 0.000 0.444 107 A N -0.703 122.193 122.820 0.127 0.000 2.119 107 A HA 0.171 4.487 4.320 -0.007 0.000 0.217 107 A C 2.009 179.613 177.584 0.033 0.000 1.153 107 A CA 0.927 52.998 52.037 0.057 0.000 0.692 107 A CB -0.439 18.565 19.000 0.006 0.000 0.799 107 A HN 0.472 nan 8.150 nan 0.000 0.458 108 L N -0.723 120.553 121.223 0.087 0.000 2.141 108 L HA 0.000 4.336 4.340 -0.007 0.000 0.209 108 L C 1.775 178.685 176.870 0.067 0.000 1.094 108 L CA 0.486 55.386 54.840 0.100 0.000 0.763 108 L CB -0.564 41.586 42.059 0.152 0.000 0.908 108 L HN 0.489 nan 8.230 nan 0.000 0.437 109 G N -1.301 107.538 108.800 0.064 0.000 2.522 109 G HA2 0.262 4.217 3.960 -0.007 0.000 0.304 109 G HA3 0.262 4.217 3.960 -0.007 0.000 0.304 109 G C 0.767 175.689 174.900 0.037 0.000 1.210 109 G CA 0.255 45.385 45.100 0.050 0.000 0.960 109 G HN 0.179 nan 8.290 nan 0.000 0.497 110 S N -1.657 114.061 115.700 0.029 0.000 2.503 110 S HA 0.128 4.594 4.470 -0.007 0.000 0.217 110 S C 0.739 175.353 174.600 0.023 0.000 0.999 110 S CA -0.109 58.104 58.200 0.022 0.000 0.914 110 S CB 0.145 63.355 63.200 0.017 0.000 0.782 110 S HN 0.283 nan 8.310 nan 0.000 0.520 111 V N 4.797 124.727 119.914 0.026 0.000 2.607 111 V HA 0.380 4.496 4.120 -0.007 0.000 0.289 111 V C -2.334 173.779 176.094 0.031 0.000 1.053 111 V CA -2.099 60.214 62.300 0.022 0.000 0.996 111 V CB 1.144 32.975 31.823 0.014 0.000 0.995 111 V HN 0.256 nan 8.190 nan 0.000 0.476 112 P HA 0.256 nan 4.420 nan 0.000 0.281 112 P C -1.019 176.290 177.300 0.015 0.000 1.252 112 P CA -0.072 63.050 63.100 0.036 0.000 0.778 112 P CB 1.108 32.823 31.700 0.025 0.000 0.895 113 V N 3.876 123.816 119.914 0.044 0.000 2.483 113 V HA 0.291 4.407 4.120 -0.007 0.000 0.297 113 V C 0.441 176.499 176.094 -0.059 0.000 1.027 113 V CA -0.377 61.889 62.300 -0.057 0.000 0.855 113 V CB 1.859 33.634 31.823 -0.080 0.000 0.995 113 V HN 0.452 nan 8.190 nan 0.000 0.424 114 T N 5.458 119.893 114.554 -0.198 0.000 2.856 114 T HA 0.603 4.949 4.350 -0.007 0.000 0.292 114 T C -0.646 173.746 174.700 -0.514 0.000 0.980 114 T CA 0.217 62.199 62.100 -0.196 0.000 1.091 114 T CB 0.306 69.084 68.868 -0.150 0.000 0.936 114 T HN 0.317 nan 8.240 nan 0.000 0.503 115 F N 2.249 121.915 119.950 -0.475 0.000 2.467 115 F HA 0.534 5.057 4.527 -0.007 0.000 0.336 115 F C 0.441 175.951 175.800 -0.484 0.000 1.123 115 F CA -0.928 56.719 58.000 -0.589 0.000 0.964 115 F CB 1.703 40.011 39.000 -1.153 0.000 1.136 115 F HN 0.455 nan 8.300 nan 0.000 0.447 116 D N 0.699 120.999 120.400 -0.166 0.000 2.614 116 D HA 0.811 5.447 4.640 -0.007 0.000 0.264 116 D C -0.397 175.874 176.300 -0.048 0.000 1.092 116 D CA -0.376 53.566 54.000 -0.097 0.000 1.071 116 D CB 2.410 43.157 40.800 -0.088 0.000 1.443 116 D HN 0.711 nan 8.370 nan 0.000 0.528 117 G N -0.184 108.602 108.800 -0.023 0.000 2.561 117 G HA2 0.335 4.291 3.960 -0.007 0.000 0.310 117 G HA3 0.335 4.291 3.960 -0.007 0.000 0.310 117 G C -1.359 173.534 174.900 -0.012 0.000 1.292 117 G CA -0.662 44.430 45.100 -0.014 0.000 0.811 117 G HN 0.408 nan 8.290 nan 0.000 0.482 118 D N 0.120 120.513 120.400 -0.012 0.000 2.400 118 D HA 0.119 4.754 4.640 -0.007 0.000 0.238 118 D C 1.517 177.816 176.300 -0.001 0.000 1.157 118 D CA -0.055 53.938 54.000 -0.012 0.000 0.889 118 D CB 1.465 42.256 40.800 -0.016 0.000 1.199 118 D HN 0.555 nan 8.370 nan 0.000 0.436 119 Q N 1.118 120.918 119.800 -0.001 0.000 2.118 119 Q HA -0.336 4.000 4.340 -0.007 0.000 0.211 119 Q C 1.718 177.725 176.000 0.013 0.000 0.998 119 Q CA 1.906 57.712 55.803 0.006 0.000 0.872 119 Q CB 0.014 28.753 28.738 0.002 0.000 0.925 119 Q HN 0.550 nan 8.270 nan 0.000 0.414 120 Q N -0.930 118.876 119.800 0.010 0.000 2.226 120 Q HA -0.131 4.205 4.340 -0.007 0.000 0.204 120 Q C 1.770 177.782 176.000 0.020 0.000 0.975 120 Q CA 1.127 56.941 55.803 0.017 0.000 0.866 120 Q CB -0.142 28.607 28.738 0.017 0.000 0.915 120 Q HN 0.526 nan 8.270 nan 0.000 0.440 121 A N 0.555 123.385 122.820 0.016 0.000 2.067 121 A HA -0.112 4.204 4.320 -0.007 0.000 0.219 121 A C 1.788 179.398 177.584 0.044 0.000 1.158 121 A CA 0.801 52.852 52.037 0.023 0.000 0.661 121 A CB -0.254 18.756 19.000 0.018 0.000 0.801 121 A HN 0.316 nan 8.150 nan 0.000 0.452 122 R N -0.688 119.838 120.500 0.043 0.000 2.280 122 R HA -0.045 4.291 4.340 -0.007 0.000 0.207 122 R C 1.868 178.200 176.300 0.054 0.000 1.043 122 R CA 0.703 56.837 56.100 0.057 0.000 1.006 122 R CB -0.246 30.082 30.300 0.047 0.000 0.885 122 R HN 0.482 nan 8.270 nan 0.000 0.467 123 G N 0.701 109.528 108.800 0.044 0.000 2.985 123 G HA2 -0.043 3.913 3.960 -0.007 0.000 0.209 123 G HA3 -0.043 3.913 3.960 -0.007 0.000 0.209 123 G C 0.382 175.312 174.900 0.050 0.000 1.165 123 G CA -0.296 44.829 45.100 0.042 0.000 0.776 123 G HN 0.128 nan 8.290 nan 0.000 0.541 124 R N 0.473 121.009 120.500 0.059 0.000 2.457 124 R HA 0.365 4.701 4.340 -0.007 0.000 0.284 124 R C -2.589 173.774 176.300 0.105 0.000 1.024 124 R CA -1.704 54.438 56.100 0.070 0.000 1.025 124 R CB 0.641 30.973 30.300 0.052 0.000 1.063 124 R HN -0.033 nan 8.270 nan 0.000 0.493 125 P HA -0.002 nan 4.420 nan 0.000 0.268 125 P C -0.235 177.274 177.300 0.349 0.000 1.204 125 P CA 0.300 63.540 63.100 0.233 0.000 0.768 125 P CB 0.568 32.439 31.700 0.285 0.000 0.842 126 I N 2.257 122.946 120.570 0.199 0.000 5.285 126 I HA 0.158 4.323 4.170 -0.007 0.000 0.351 126 I C 1.721 177.652 176.117 -0.311 0.000 1.206 126 I CA 0.698 62.005 61.300 0.013 0.000 1.527 126 I CB -0.702 37.308 38.000 0.017 0.000 1.694 126 I HN 0.258 nan 8.210 nan 0.000 0.585 127 A N 2.037 124.728 122.820 -0.215 0.000 1.948 127 A HA -0.053 4.262 4.320 -0.007 0.000 0.220 127 A C -0.323 177.049 177.584 -0.353 0.000 1.177 127 A CA 2.368 54.249 52.037 -0.261 0.000 0.636 127 A CB -2.045 16.873 19.000 -0.137 0.000 0.815 127 A HN 0.403 nan 8.150 nan 0.000 0.449 128 P HA -0.123 nan 4.420 nan 0.000 0.217 128 P C 1.606 178.570 177.300 -0.560 0.000 1.150 128 P CA 0.815 63.650 63.100 -0.442 0.000 0.832 128 P CB -0.068 31.393 31.700 -0.399 0.000 0.787 129 L N -0.941 119.733 121.223 -0.914 0.000 2.093 129 L HA -0.091 4.245 4.340 -0.007 0.000 0.208 129 L C 2.067 178.701 176.870 -0.392 0.000 1.085 129 L CA 1.696 56.183 54.840 -0.588 0.000 0.755 129 L CB -1.280 40.443 42.059 -0.560 0.000 0.904 129 L HN -0.139 nan 8.230 nan 0.000 0.435 130 L N -0.788 120.168 121.223 -0.445 0.000 2.093 130 L HA -0.176 4.160 4.340 -0.007 0.000 0.208 130 L C 2.212 178.926 176.870 -0.260 0.000 1.085 130 L CA 1.153 55.760 54.840 -0.389 0.000 0.755 130 L CB -0.971 40.789 42.059 -0.498 0.000 0.904 130 L HN 0.249 nan 8.230 nan 0.000 0.435 131 D N 0.501 120.760 120.400 -0.235 0.000 2.144 131 D HA -0.151 4.485 4.640 -0.007 0.000 0.199 131 D C 2.253 178.472 176.300 -0.135 0.000 0.984 131 D CA 1.512 55.416 54.000 -0.161 0.000 0.834 131 D CB 0.026 40.744 40.800 -0.138 0.000 0.955 131 D HN 0.305 nan 8.370 nan 0.000 0.465 132 A N 0.643 123.373 122.820 -0.151 0.000 1.902 132 A HA -0.128 4.188 4.320 -0.007 0.000 0.217 132 A C 2.410 179.933 177.584 -0.100 0.000 1.181 132 A CA 0.899 52.875 52.037 -0.102 0.000 0.623 132 A CB -0.770 18.176 19.000 -0.089 0.000 0.818 132 A HN 0.211 nan 8.150 nan 0.000 0.443 133 L N -1.111 120.033 121.223 -0.130 0.000 2.046 133 L HA -0.216 4.120 4.340 -0.007 0.000 0.208 133 L C 2.883 179.681 176.870 -0.120 0.000 1.077 133 L CA 1.588 56.350 54.840 -0.130 0.000 0.747 133 L CB -0.494 41.482 42.059 -0.138 0.000 0.896 133 L HN 0.363 nan 8.230 nan 0.000 0.432 134 R N 0.050 120.483 120.500 -0.111 0.000 2.091 134 R HA -0.184 4.152 4.340 -0.007 0.000 0.238 134 R C 2.126 178.380 176.300 -0.076 0.000 1.136 134 R CA 1.501 57.549 56.100 -0.087 0.000 0.959 134 R CB -0.330 29.921 30.300 -0.081 0.000 0.856 134 R HN 0.450 nan 8.270 nan 0.000 0.437 135 E N 0.511 120.667 120.200 -0.073 0.000 2.265 135 E HA -0.161 4.185 4.350 -0.007 0.000 0.196 135 E C 1.378 177.941 176.600 -0.061 0.000 0.996 135 E CA 0.785 57.151 56.400 -0.056 0.000 0.832 135 E CB 0.008 29.681 29.700 -0.044 0.000 0.756 135 E HN 0.357 nan 8.360 nan 0.000 0.491 136 L N -0.409 120.762 121.223 -0.088 0.000 2.629 136 L HA 0.173 4.509 4.340 -0.007 0.000 0.230 136 L C 1.198 177.989 176.870 -0.132 0.000 1.151 136 L CA 0.230 55.000 54.840 -0.116 0.000 0.924 136 L CB 0.291 42.241 42.059 -0.182 0.000 1.137 136 L HN 0.235 nan 8.230 nan 0.000 0.457 137 G N -0.262 108.480 108.800 -0.098 0.000 2.159 137 G HA2 -0.228 3.727 3.960 -0.007 0.000 0.227 137 G HA3 -0.228 3.727 3.960 -0.007 0.000 0.227 137 G C 0.139 174.990 174.900 -0.082 0.000 0.986 137 G CA -0.133 44.918 45.100 -0.082 0.000 0.651 137 G HN 0.079 nan 8.290 nan 0.000 0.523 138 V N 1.446 121.302 119.914 -0.096 0.000 2.461 138 V HA 0.666 4.781 4.120 -0.007 0.000 0.275 138 V C 1.023 177.089 176.094 -0.047 0.000 1.047 138 V CA -0.167 62.087 62.300 -0.076 0.000 0.955 138 V CB 1.228 32.996 31.823 -0.092 0.000 0.988 138 V HN 1.098 nan 8.190 nan 0.000 0.471 139 A N 5.496 128.302 122.820 -0.023 0.000 2.409 139 A HA 0.611 4.927 4.320 -0.007 0.000 0.267 139 A C -0.344 177.245 177.584 0.007 0.000 1.127 139 A CA -0.185 51.846 52.037 -0.010 0.000 0.795 139 A CB 0.322 19.323 19.000 0.002 0.000 1.061 139 A HN 0.734 nan 8.150 nan 0.000 0.502 140 V N 4.003 123.916 119.914 -0.001 0.000 2.525 140 V HA 0.278 4.394 4.120 -0.007 0.000 0.299 140 V C -1.098 175.015 176.094 0.032 0.000 1.034 140 V CA -0.920 61.393 62.300 0.022 0.000 0.863 140 V CB 1.917 33.712 31.823 -0.046 0.000 0.999 140 V HN 0.880 nan 8.190 nan 0.000 0.423 141 D N 4.126 124.576 120.400 0.083 0.000 2.317 141 D HA 0.616 5.252 4.640 -0.007 0.000 0.234 141 D C 0.520 176.889 176.300 0.115 0.000 1.112 141 D CA 0.731 54.777 54.000 0.076 0.000 0.840 141 D CB 1.725 42.570 40.800 0.074 0.000 1.078 141 D HN 1.046 nan 8.370 nan 0.000 0.486 142 G N 1.216 110.057 108.800 0.069 0.000 2.617 142 G HA2 -0.078 3.877 3.960 -0.007 0.000 0.686 142 G HA3 -0.078 3.877 3.960 -0.007 0.000 0.686 142 G C 0.347 175.251 174.900 0.007 0.000 1.214 142 G CA -0.156 44.994 45.100 0.083 0.000 0.796 142 G HN 0.454 nan 8.290 nan 0.000 0.654 143 T N -1.574 112.977 114.554 -0.005 0.000 3.040 143 T HA 0.652 4.998 4.350 -0.007 0.000 0.266 143 T C 1.079 175.743 174.700 -0.061 0.000 1.005 143 T CA 1.008 63.062 62.100 -0.075 0.000 0.906 143 T CB 0.839 69.673 68.868 -0.056 0.000 1.082 143 T HN 2.224 nan 8.240 nan 0.000 0.531 144 G N 0.626 109.455 108.800 0.049 0.000 2.645 144 G HA2 0.572 4.528 3.960 -0.007 0.000 0.292 144 G HA3 0.572 4.528 3.960 -0.007 0.000 0.292 144 G C -1.530 173.562 174.900 0.320 0.000 1.415 144 G CA -1.188 43.987 45.100 0.126 0.000 0.785 144 G HN 0.325 nan 8.290 nan 0.000 0.483 145 L N 1.970 123.378 121.223 0.307 0.000 2.499 145 L HA 0.268 4.604 4.340 -0.007 0.000 0.273 145 L C -1.614 175.329 176.870 0.122 0.000 1.195 145 L CA -1.113 53.864 54.840 0.228 0.000 0.882 145 L CB 0.719 42.860 42.059 0.136 0.000 1.133 145 L HN 0.282 nan 8.230 nan 0.000 0.483 146 P HA 0.348 nan 4.420 nan 0.000 0.282 146 P C -1.122 176.250 177.300 0.120 0.000 1.249 146 P CA -0.289 62.822 63.100 0.020 0.000 0.806 146 P CB 0.961 32.649 31.700 -0.020 0.000 0.984 147 F N -0.640 119.374 119.950 0.105 0.000 2.620 147 F HA 0.790 5.315 4.527 -0.005 0.000 0.320 147 F C -0.525 175.371 175.800 0.161 0.000 1.069 147 F CA -1.552 56.502 58.000 0.090 0.000 0.953 147 F CB 1.862 40.887 39.000 0.041 0.000 1.322 147 F HN 0.212 nan 8.300 nan 0.000 0.479 148 R N 1.847 122.556 120.500 0.349 0.000 2.621 148 R HA 0.780 5.116 4.340 -0.007 0.000 0.292 148 R C -2.103 174.381 176.300 0.307 0.000 0.969 148 R CA -0.725 55.533 56.100 0.263 0.000 0.887 148 R CB 2.177 32.554 30.300 0.128 0.000 1.180 148 R HN 0.764 nan 8.270 nan 0.000 0.450 149 V N 4.181 124.293 119.914 0.329 0.000 2.713 149 V HA 0.609 4.724 4.120 -0.007 0.000 0.307 149 V C -0.161 176.022 176.094 0.149 0.000 1.052 149 V CA -0.701 61.744 62.300 0.242 0.000 0.967 149 V CB 1.778 33.790 31.823 0.315 0.000 1.019 149 V HN 0.786 nan 8.190 nan 0.000 0.459 150 R N 1.849 122.403 120.500 0.090 0.000 2.585 150 R HA 0.470 4.806 4.340 -0.007 0.000 0.288 150 R C -0.107 176.209 176.300 0.026 0.000 1.194 150 R CA -0.421 55.712 56.100 0.056 0.000 1.006 150 R CB 1.833 32.158 30.300 0.042 0.000 1.229 150 R HN 0.927 nan 8.270 nan 0.000 0.412 151 G N 0.843 109.659 108.800 0.026 0.000 2.562 151 G HA2 0.119 4.075 3.960 -0.007 0.000 0.275 151 G HA3 0.119 4.075 3.960 -0.007 0.000 0.275 151 G C 0.301 175.202 174.900 0.002 0.000 1.196 151 G CA -0.610 44.493 45.100 0.004 0.000 0.908 151 G HN 0.693 nan 8.290 nan 0.000 0.524 152 N N -0.780 117.915 118.700 -0.008 0.000 2.451 152 N HA 0.252 4.988 4.740 -0.007 0.000 0.264 152 N C 1.064 176.578 175.510 0.006 0.000 1.167 152 N CA -0.103 52.946 53.050 -0.002 0.000 0.898 152 N CB 0.415 38.898 38.487 -0.007 0.000 1.176 152 N HN 1.178 nan 8.380 nan 0.000 0.507 153 G N -0.387 108.421 108.800 0.013 0.000 2.176 153 G HA2 -0.223 3.732 3.960 -0.007 0.000 0.252 153 G HA3 -0.223 3.732 3.960 -0.007 0.000 0.252 153 G C -0.103 174.812 174.900 0.026 0.000 1.024 153 G CA 0.581 45.694 45.100 0.021 0.000 0.755 153 G HN 1.380 nan 8.290 nan 0.000 0.507 154 S N -2.206 113.506 115.700 0.020 0.000 2.701 154 S HA 0.713 5.179 4.470 -0.007 0.000 0.267 154 S C -1.340 173.250 174.600 -0.018 0.000 1.034 154 S CA -0.381 57.832 58.200 0.023 0.000 0.867 154 S CB 1.737 64.950 63.200 0.021 0.000 1.123 154 S HN 1.453 nan 8.310 nan 0.000 0.470 155 L N 0.284 121.488 121.223 -0.031 0.000 2.666 155 L HA 0.665 5.001 4.340 -0.007 0.000 0.259 155 L C 0.852 177.668 176.870 -0.090 0.000 0.919 155 L CA -0.165 54.606 54.840 -0.114 0.000 0.927 155 L CB 1.854 43.774 42.059 -0.231 0.000 1.423 155 L HN 1.190 nan 8.230 nan 0.000 0.426 156 A N 2.611 125.400 122.820 -0.052 0.000 2.070 156 A HA 0.388 4.704 4.320 -0.007 0.000 0.220 156 A C 1.285 178.899 177.584 0.050 0.000 1.159 156 A CA 1.663 53.708 52.037 0.013 0.000 0.656 156 A CB -0.699 18.304 19.000 0.006 0.000 0.800 156 A HN 1.515 nan 8.150 nan 0.000 0.453 157 G N -2.039 106.735 108.800 -0.043 0.000 2.512 157 G HA2 0.305 4.261 3.960 -0.007 0.000 0.254 157 G HA3 0.305 4.261 3.960 -0.007 0.000 0.254 157 G C 1.090 176.036 174.900 0.075 0.000 1.199 157 G CA 0.566 45.716 45.100 0.084 0.000 0.941 157 G HN 2.520 nan 8.290 nan 0.000 0.569 158 G N -3.260 105.614 108.800 0.123 0.000 2.341 158 G HA2 0.467 4.423 3.960 -0.007 0.000 0.196 158 G HA3 0.467 4.423 3.960 -0.007 0.000 0.196 158 G C -0.217 174.735 174.900 0.086 0.000 1.231 158 G CA 0.582 45.728 45.100 0.077 0.000 1.155 158 G HN 2.039 nan 8.290 nan 0.000 0.529 159 T N -0.163 114.428 114.554 0.062 0.000 2.856 159 T HA 0.709 5.055 4.350 -0.007 0.000 0.283 159 T C -0.967 173.767 174.700 0.056 0.000 1.008 159 T CA 0.244 62.384 62.100 0.066 0.000 0.997 159 T CB 1.785 70.683 68.868 0.051 0.000 0.992 159 T HN 1.619 nan 8.240 nan 0.000 0.454 160 V N 1.679 121.637 119.914 0.073 0.000 2.932 160 V HA 0.846 4.962 4.120 -0.007 0.000 0.307 160 V C -1.449 174.690 176.094 0.076 0.000 1.147 160 V CA -0.699 61.636 62.300 0.058 0.000 0.951 160 V CB 1.945 33.798 31.823 0.050 0.000 1.031 160 V HN 1.099 nan 8.190 nan 0.000 0.426 161 A N 6.498 129.349 122.820 0.052 0.000 2.330 161 A HA 0.930 5.246 4.320 -0.007 0.000 0.327 161 A C -0.896 176.719 177.584 0.052 0.000 1.155 161 A CA -0.554 51.518 52.037 0.058 0.000 0.803 161 A CB 1.111 20.127 19.000 0.026 0.000 1.208 161 A HN 1.285 nan 8.150 nan 0.000 0.477 162 I N 1.332 121.955 120.570 0.089 0.000 2.722 162 I HA 0.328 4.494 4.170 -0.007 0.000 0.295 162 I C -1.542 174.659 176.117 0.141 0.000 1.161 162 I CA -0.639 60.716 61.300 0.091 0.000 1.032 162 I CB 2.166 40.231 38.000 0.107 0.000 1.244 162 I HN 0.671 nan 8.210 nan 0.000 0.421 163 D N 6.272 126.741 120.400 0.114 0.000 2.374 163 D HA 0.360 4.996 4.640 -0.007 0.000 0.240 163 D C 0.204 176.725 176.300 0.368 0.000 1.229 163 D CA 0.050 54.156 54.000 0.175 0.000 0.895 163 D CB 1.421 42.280 40.800 0.099 0.000 1.046 163 D HN 0.567 nan 8.370 nan 0.000 0.498 164 A N 3.057 126.226 122.820 0.582 0.000 2.545 164 A HA 0.161 4.477 4.320 -0.007 0.000 0.277 164 A C 1.808 179.491 177.584 0.165 0.000 1.301 164 A CA -0.351 51.928 52.037 0.403 0.000 0.935 164 A CB 0.029 19.164 19.000 0.225 0.000 1.093 164 A HN 0.458 nan 8.150 nan 0.000 0.519 165 S N 0.099 115.975 115.700 0.293 0.000 2.442 165 S HA -0.087 4.379 4.470 -0.007 0.000 0.236 165 S C 2.072 176.697 174.600 0.042 0.000 1.007 165 S CA 1.239 59.523 58.200 0.141 0.000 0.965 165 S CB -0.047 63.270 63.200 0.194 0.000 0.773 165 S HN 0.819 nan 8.310 nan 0.000 0.504 166 A N -0.049 122.816 122.820 0.075 0.000 2.072 166 A HA 0.362 4.678 4.320 -0.007 0.000 0.216 166 A C 0.987 178.492 177.584 -0.132 0.000 1.156 166 A CA 0.396 52.455 52.037 0.036 0.000 0.701 166 A CB 0.128 19.211 19.000 0.138 0.000 0.816 166 A HN 0.321 nan 8.150 nan 0.000 0.458 167 S N -1.581 113.898 115.700 -0.370 0.000 2.582 167 S HA 0.293 4.759 4.470 -0.007 0.000 0.287 167 S C 0.674 174.983 174.600 -0.485 0.000 1.146 167 S CA 0.211 58.102 58.200 -0.514 0.000 0.941 167 S CB 0.774 63.437 63.200 -0.896 0.000 1.115 167 S HN 0.772 nan 8.310 nan 0.000 0.458 168 S N 3.804 119.328 115.700 -0.293 0.000 2.469 168 S HA -0.137 4.329 4.470 -0.007 0.000 0.238 168 S C 1.383 175.888 174.600 -0.158 0.000 0.998 168 S CA 0.974 59.050 58.200 -0.208 0.000 0.957 168 S CB -0.451 62.670 63.200 -0.131 0.000 0.764 168 S HN 0.803 nan 8.310 nan 0.000 0.514 169 Q N -0.290 119.403 119.800 -0.178 0.000 2.291 169 Q HA -0.017 4.319 4.340 -0.007 0.000 0.206 169 Q C 1.313 177.407 176.000 0.158 0.000 0.976 169 Q CA 1.059 56.889 55.803 0.045 0.000 0.875 169 Q CB -0.341 28.370 28.738 -0.046 0.000 0.927 169 Q HN 0.612 nan 8.270 nan 0.000 0.450 170 F N -0.390 119.568 119.950 0.014 0.000 2.186 170 F HA -0.153 4.369 4.527 -0.008 0.000 0.299 170 F C 2.208 177.972 175.800 -0.061 0.000 1.090 170 F CA 0.419 58.415 58.000 -0.006 0.000 1.307 170 F CB -0.939 38.056 39.000 -0.009 0.000 1.019 170 F HN -0.128 nan 8.300 nan 0.000 0.489 171 V N -1.019 118.908 119.914 0.022 0.000 2.283 171 V HA -0.209 3.907 4.120 -0.007 0.000 0.243 171 V C 2.373 178.300 176.094 -0.279 0.000 1.039 171 V CA 1.897 64.053 62.300 -0.239 0.000 1.016 171 V CB -0.992 30.474 31.823 -0.594 0.000 0.650 171 V HN 0.251 nan 8.190 nan 0.000 0.449 172 S N 0.767 116.330 115.700 -0.229 0.000 2.370 172 S HA -0.163 4.303 4.470 -0.007 0.000 0.226 172 S C 2.076 176.447 174.600 -0.381 0.000 1.033 172 S CA 1.495 59.503 58.200 -0.320 0.000 1.011 172 S CB -0.779 62.257 63.200 -0.273 0.000 0.852 172 S HN 0.702 nan 8.310 nan 0.000 0.457 173 G N 1.483 110.216 108.800 -0.112 0.000 2.418 173 G HA2 -0.140 3.816 3.960 -0.007 0.000 0.217 173 G HA3 -0.140 3.816 3.960 -0.007 0.000 0.217 173 G C 1.335 176.214 174.900 -0.035 0.000 1.158 173 G CA 0.620 45.721 45.100 0.001 0.000 0.771 173 G HN 0.434 nan 8.290 nan 0.000 0.545 174 L N -0.135 121.080 121.223 -0.013 0.000 2.027 174 L HA 0.033 4.369 4.340 -0.007 0.000 0.206 174 L C 2.905 179.724 176.870 -0.085 0.000 1.074 174 L CA 0.524 55.381 54.840 0.030 0.000 0.745 174 L CB -0.405 41.687 42.059 0.055 0.000 0.898 174 L HN 0.179 nan 8.230 nan 0.000 0.433 175 L N -0.522 120.592 121.223 -0.183 0.000 2.083 175 L HA -0.236 4.100 4.340 -0.007 0.000 0.209 175 L C 2.516 179.234 176.870 -0.253 0.000 1.083 175 L CA 1.128 55.833 54.840 -0.225 0.000 0.752 175 L CB -0.506 41.385 42.059 -0.280 0.000 0.899 175 L HN 0.276 nan 8.230 nan 0.000 0.433 176 L N -1.002 120.050 121.223 -0.285 0.000 2.083 176 L HA -0.178 4.158 4.340 -0.007 0.000 0.209 176 L C 2.378 179.113 176.870 -0.225 0.000 1.083 176 L CA 1.088 55.763 54.840 -0.275 0.000 0.752 176 L CB -0.302 41.541 42.059 -0.361 0.000 0.899 176 L HN 0.149 nan 8.230 nan 0.000 0.433 177 S N -0.978 114.584 115.700 -0.231 0.000 2.535 177 S HA 0.166 4.631 4.470 -0.007 0.000 0.214 177 S C 2.017 176.171 174.600 -0.744 0.000 0.980 177 S CA 0.479 58.527 58.200 -0.254 0.000 0.907 177 S CB 0.333 63.552 63.200 0.031 0.000 0.790 177 S HN 0.400 nan 8.310 nan 0.000 0.510 178 A N 1.708 123.983 122.820 -0.907 0.000 1.978 178 A HA 0.051 4.367 4.320 -0.007 0.000 0.220 178 A C 2.212 179.345 177.584 -0.752 0.000 1.170 178 A CA 1.555 52.800 52.037 -1.319 0.000 0.636 178 A CB -0.753 17.909 19.000 -0.564 0.000 0.810 178 A HN 0.511 nan 8.150 nan 0.000 0.448 179 A N -1.173 121.408 122.820 -0.398 0.000 2.172 179 A HA 0.084 4.400 4.320 -0.007 0.000 0.216 179 A C 2.085 179.589 177.584 -0.132 0.000 1.154 179 A CA 1.542 53.463 52.037 -0.194 0.000 0.701 179 A CB -0.384 18.549 19.000 -0.112 0.000 0.789 179 A HN 0.376 nan 8.150 nan 0.000 0.465 180 S N -0.439 115.163 115.700 -0.163 0.000 2.556 180 S HA 0.299 4.765 4.470 -0.007 0.000 0.216 180 S C -0.242 174.480 174.600 0.204 0.000 0.970 180 S CA -0.456 57.754 58.200 0.017 0.000 0.912 180 S CB -0.219 63.012 63.200 0.050 0.000 0.790 180 S HN 0.401 nan 8.310 nan 0.000 0.504 181 F N 2.199 122.156 119.950 0.012 0.000 2.429 181 F HA 0.255 4.778 4.527 -0.007 0.000 0.348 181 F C 1.970 177.778 175.800 0.013 0.000 1.109 181 F CA -1.201 56.807 58.000 0.012 0.000 1.232 181 F CB -0.492 38.515 39.000 0.011 0.000 1.157 181 F HN -0.065 nan 8.300 nan 0.000 0.564 182 T N 0.036 114.707 114.554 0.195 0.000 2.653 182 T HA -0.210 4.136 4.350 -0.007 0.000 0.268 182 T C 0.897 175.654 174.700 0.095 0.000 1.035 182 T CA 1.911 64.077 62.100 0.110 0.000 1.154 182 T CB -0.116 68.796 68.868 0.073 0.000 0.862 182 T HN 0.489 nan 8.240 nan 0.000 0.441 183 D N 0.672 121.139 120.400 0.113 0.000 2.368 183 D HA 0.364 5.000 4.640 -0.007 0.000 0.218 183 D C 1.350 177.710 176.300 0.100 0.000 1.112 183 D CA 0.530 54.583 54.000 0.089 0.000 0.834 183 D CB 0.237 41.082 40.800 0.075 0.000 0.953 183 D HN 0.484 nan 8.370 nan 0.000 0.505 184 G N 1.261 110.134 108.800 0.121 0.000 2.569 184 G HA2 -0.215 3.741 3.960 -0.007 0.000 0.259 184 G HA3 -0.215 3.741 3.960 -0.007 0.000 0.259 184 G C -0.738 174.256 174.900 0.156 0.000 1.263 184 G CA -0.118 45.026 45.100 0.074 0.000 0.928 184 G HN 0.330 nan 8.290 nan 0.000 0.572 185 L N -1.109 120.175 121.223 0.101 0.000 2.513 185 L HA 0.734 5.070 4.340 -0.007 0.000 0.261 185 L C -0.176 176.765 176.870 0.119 0.000 0.945 185 L CA 0.041 54.975 54.840 0.155 0.000 0.848 185 L CB 2.248 44.416 42.059 0.181 0.000 1.334 185 L HN 0.972 nan 8.230 nan 0.000 0.407 186 T N 3.801 118.430 114.554 0.126 0.000 2.786 186 T HA 0.693 5.039 4.350 -0.007 0.000 0.283 186 T C -0.851 173.947 174.700 0.162 0.000 0.992 186 T CA -0.383 61.797 62.100 0.132 0.000 0.954 186 T CB 1.357 70.281 68.868 0.092 0.000 0.934 186 T HN 0.360 nan 8.240 nan 0.000 0.440 187 V N 3.800 123.858 119.914 0.239 0.000 2.459 187 V HA 0.578 4.693 4.120 -0.007 0.000 0.295 187 V C -0.239 176.076 176.094 0.368 0.000 1.029 187 V CA -0.833 61.640 62.300 0.288 0.000 0.874 187 V CB 1.661 33.676 31.823 0.320 0.000 0.985 187 V HN 0.793 nan 8.190 nan 0.000 0.438 188 Q N 2.739 122.701 119.800 0.269 0.000 2.325 188 Q HA 0.397 4.733 4.340 -0.007 0.000 0.270 188 Q C -0.768 175.406 176.000 0.290 0.000 1.020 188 Q CA -0.527 55.412 55.803 0.228 0.000 0.785 188 Q CB 1.235 30.031 28.738 0.098 0.000 1.259 188 Q HN 0.880 nan 8.270 nan 0.000 0.452 189 H N 2.078 121.322 119.070 0.290 0.000 2.690 189 H HA 0.329 4.880 4.556 -0.007 0.000 0.314 189 H C 0.195 175.596 175.328 0.121 0.000 1.069 189 H CA 0.819 57.010 56.048 0.238 0.000 1.436 189 H CB 1.110 31.067 29.762 0.325 0.000 1.462 189 H HN 0.737 nan 8.280 nan 0.000 0.511 190 T N 1.089 115.388 114.554 -0.425 0.000 3.170 190 T HA 0.346 4.692 4.350 -0.007 0.000 0.288 190 T C 1.053 175.498 174.700 -0.425 0.000 0.992 190 T CA -0.089 61.796 62.100 -0.359 0.000 0.909 190 T CB 0.116 68.905 68.868 -0.132 0.000 1.133 190 T HN 0.606 nan 8.240 nan 0.000 0.530 191 G N 1.813 110.181 108.800 -0.720 0.000 2.546 191 G HA2 0.544 4.500 3.960 -0.007 0.000 0.239 191 G HA3 0.544 4.500 3.960 -0.007 0.000 0.239 191 G C 0.101 174.943 174.900 -0.096 0.000 1.476 191 G CA -0.175 44.794 45.100 -0.220 0.000 1.064 191 G HN 0.471 nan 8.290 nan 0.000 0.561 192 S N -0.830 114.928 115.700 0.098 0.000 2.521 192 S HA 0.476 4.942 4.470 -0.007 0.000 0.278 192 S C 0.807 175.551 174.600 0.240 0.000 1.140 192 S CA 0.216 58.489 58.200 0.120 0.000 1.028 192 S CB 0.162 63.412 63.200 0.083 0.000 1.203 192 S HN 1.458 nan 8.310 nan 0.000 0.491 193 S N 0.164 115.950 115.700 0.143 0.000 2.691 193 S HA -0.103 4.363 4.470 -0.007 0.000 0.320 193 S C -0.489 174.158 174.600 0.078 0.000 1.241 193 S CA -0.434 57.834 58.200 0.112 0.000 1.028 193 S CB -0.611 62.622 63.200 0.055 0.000 0.726 193 S HN 0.650 nan 8.310 nan 0.000 0.488 194 L N 5.503 126.715 121.223 -0.019 0.000 2.294 194 L HA 0.598 4.934 4.340 -0.007 0.000 0.283 194 L C -2.212 174.559 176.870 -0.165 0.000 1.015 194 L CA -2.103 52.611 54.840 -0.210 0.000 0.831 194 L CB 1.330 43.192 42.059 -0.329 0.000 1.217 194 L HN 0.602 nan 8.230 nan 0.000 0.420 195 P HA 0.262 nan 4.420 nan 0.000 0.276 195 P C -0.391 176.785 177.300 -0.208 0.000 1.252 195 P CA -0.158 62.749 63.100 -0.322 0.000 0.802 195 P CB 0.996 32.191 31.700 -0.842 0.000 1.035 196 S N -1.304 114.322 115.700 -0.123 0.000 3.749 196 S HA -0.180 4.286 4.470 -0.007 0.000 0.348 196 S C 1.303 175.915 174.600 0.019 0.000 1.045 196 S CA 0.571 58.770 58.200 -0.001 0.000 1.051 196 S CB -2.151 61.062 63.200 0.022 0.000 0.898 196 S HN 0.822 nan 8.310 nan 0.000 0.472 197 A N 1.301 124.116 122.820 -0.007 0.000 1.927 197 A HA -0.117 4.199 4.320 -0.007 0.000 0.220 197 A C 0.168 177.754 177.584 0.004 0.000 1.185 197 A CA 2.165 54.216 52.037 0.023 0.000 0.639 197 A CB -1.608 17.414 19.000 0.037 0.000 0.820 197 A HN 0.566 nan 8.150 nan 0.000 0.451 198 P HA -0.128 nan 4.420 nan 0.000 0.218 198 P C 0.734 177.917 177.300 -0.195 0.000 1.148 198 P CA 1.566 64.582 63.100 -0.140 0.000 0.822 198 P CB -0.209 31.341 31.700 -0.249 0.000 0.784 199 H N -1.553 117.493 119.070 -0.039 0.000 2.436 199 H HA 0.077 4.629 4.556 -0.006 0.000 0.294 199 H C 1.912 177.209 175.328 -0.053 0.000 1.048 199 H CA 0.812 56.841 56.048 -0.031 0.000 1.353 199 H CB -0.538 29.213 29.762 -0.019 0.000 1.414 199 H HN 0.080 nan 8.280 nan 0.000 0.536 200 I N 0.057 120.645 120.570 0.030 0.000 2.315 200 I HA -0.197 3.969 4.170 -0.007 0.000 0.248 200 I C 2.526 178.630 176.117 -0.022 0.000 1.117 200 I CA 0.899 62.162 61.300 -0.061 0.000 1.404 200 I CB -0.258 37.693 38.000 -0.082 0.000 1.071 200 I HN 0.287 nan 8.210 nan 0.000 0.419 201 A N 0.631 123.463 122.820 0.021 0.000 1.969 201 A HA -0.211 4.105 4.320 -0.007 0.000 0.218 201 A C 2.408 179.987 177.584 -0.008 0.000 1.169 201 A CA 1.346 53.402 52.037 0.032 0.000 0.635 201 A CB -0.562 18.456 19.000 0.030 0.000 0.810 201 A HN 0.440 nan 8.150 nan 0.000 0.445 202 M N -0.422 119.151 119.600 -0.045 0.000 2.080 202 M HA -0.165 4.311 4.480 -0.007 0.000 0.260 202 M C 2.052 178.328 176.300 -0.040 0.000 1.068 202 M CA 2.318 57.589 55.300 -0.049 0.000 1.109 202 M CB -0.445 32.108 32.600 -0.079 0.000 1.342 202 M HN 0.407 nan 8.290 nan 0.000 0.405 203 T N 1.040 115.554 114.554 -0.068 0.000 2.684 203 T HA -0.117 4.228 4.350 -0.007 0.000 0.267 203 T C 1.796 176.449 174.700 -0.078 0.000 1.036 203 T CA 1.700 63.726 62.100 -0.122 0.000 1.148 203 T CB -0.560 68.182 68.868 -0.210 0.000 0.863 203 T HN 0.618 nan 8.240 nan 0.000 0.436 204 A N 1.411 124.206 122.820 -0.040 0.000 1.902 204 A HA 0.129 4.445 4.320 -0.007 0.000 0.217 204 A C 2.646 180.246 177.584 0.026 0.000 1.181 204 A CA 1.927 53.970 52.037 0.010 0.000 0.623 204 A CB -1.136 17.908 19.000 0.074 0.000 0.818 204 A HN 0.516 nan 8.150 nan 0.000 0.443 205 A N -0.520 122.316 122.820 0.027 0.000 1.877 205 A HA -0.130 4.186 4.320 -0.007 0.000 0.216 205 A C 2.276 179.904 177.584 0.073 0.000 1.186 205 A CA 1.865 53.927 52.037 0.042 0.000 0.620 205 A CB -0.547 18.473 19.000 0.034 0.000 0.822 205 A HN 0.527 nan 8.150 nan 0.000 0.443 206 M N -0.676 118.973 119.600 0.082 0.000 2.229 206 M HA -0.055 4.421 4.480 -0.007 0.000 0.264 206 M C 2.077 178.497 176.300 0.199 0.000 1.063 206 M CA 1.054 56.468 55.300 0.190 0.000 1.114 206 M CB -0.475 32.173 32.600 0.079 0.000 1.387 206 M HN 0.368 nan 8.290 nan 0.000 0.420 207 L N -0.319 120.949 121.223 0.075 0.000 2.042 207 L HA -0.236 4.100 4.340 -0.007 0.000 0.210 207 L C 2.622 179.532 176.870 0.068 0.000 1.076 207 L CA 1.495 56.369 54.840 0.057 0.000 0.749 207 L CB -0.590 41.465 42.059 -0.006 0.000 0.893 207 L HN 0.282 nan 8.230 nan 0.000 0.432 208 R N -0.427 120.106 120.500 0.054 0.000 2.115 208 R HA -0.163 4.173 4.340 -0.007 0.000 0.230 208 R C 2.250 178.568 176.300 0.030 0.000 1.111 208 R CA 1.098 57.220 56.100 0.036 0.000 0.976 208 R CB -0.257 30.061 30.300 0.030 0.000 0.870 208 R HN 0.509 nan 8.270 nan 0.000 0.445 209 Q N -0.125 119.707 119.800 0.053 0.000 2.226 209 Q HA -0.058 4.278 4.340 -0.007 0.000 0.204 209 Q C 1.614 177.576 176.000 -0.063 0.000 0.975 209 Q CA 1.321 57.115 55.803 -0.016 0.000 0.866 209 Q CB 0.097 28.827 28.738 -0.013 0.000 0.915 209 Q HN 0.318 nan 8.270 nan 0.000 0.440 210 A N -0.260 122.599 122.820 0.066 0.000 2.278 210 A HA 0.355 4.671 4.320 -0.007 0.000 0.212 210 A C 1.365 178.966 177.584 0.030 0.000 1.213 210 A CA 0.636 52.719 52.037 0.076 0.000 0.840 210 A CB -0.127 19.024 19.000 0.251 0.000 0.866 210 A HN 0.421 nan 8.150 nan 0.000 0.489 211 G N -1.469 107.336 108.800 0.010 0.000 2.157 211 G HA2 -0.198 3.757 3.960 -0.007 0.000 0.248 211 G HA3 -0.198 3.757 3.960 -0.007 0.000 0.248 211 G C 0.168 175.072 174.900 0.007 0.000 0.979 211 G CA 0.152 45.252 45.100 0.001 0.000 0.650 211 G HN 0.731 nan 8.290 nan 0.000 0.529 212 V N 1.303 121.225 119.914 0.014 0.000 2.546 212 V HA 0.439 4.555 4.120 -0.007 0.000 0.284 212 V C 0.346 176.444 176.094 0.006 0.000 1.050 212 V CA -0.449 61.853 62.300 0.004 0.000 0.981 212 V CB 1.793 33.612 31.823 -0.006 0.000 0.990 212 V HN 0.349 nan 8.190 nan 0.000 0.474 213 D N 4.779 125.181 120.400 0.003 0.000 2.316 213 D HA 0.326 4.962 4.640 -0.007 0.000 0.245 213 D C -0.654 175.657 176.300 0.017 0.000 1.171 213 D CA -0.035 53.971 54.000 0.011 0.000 0.856 213 D CB 1.053 41.859 40.800 0.009 0.000 1.090 213 D HN 0.513 nan 8.370 nan 0.000 0.476 214 I N 2.881 123.469 120.570 0.031 0.000 2.498 214 I HA 0.261 4.427 4.170 -0.007 0.000 0.290 214 I C -1.339 174.818 176.117 0.066 0.000 1.032 214 I CA -0.788 60.546 61.300 0.056 0.000 1.073 214 I CB 1.847 39.888 38.000 0.067 0.000 1.251 214 I HN 0.128 nan 8.210 nan 0.000 0.426 215 D N 6.383 126.826 120.400 0.070 0.000 2.373 215 D HA 0.205 4.841 4.640 -0.007 0.000 0.227 215 D C -0.625 175.702 176.300 0.044 0.000 1.091 215 D CA -0.261 53.765 54.000 0.043 0.000 0.840 215 D CB 1.312 42.124 40.800 0.020 0.000 1.060 215 D HN 0.614 nan 8.370 nan 0.000 0.502 216 D N 1.294 121.713 120.400 0.032 0.000 2.670 216 D HA 0.084 4.719 4.640 -0.007 0.000 0.255 216 D C 0.592 176.833 176.300 -0.098 0.000 1.286 216 D CA -0.360 53.614 54.000 -0.043 0.000 0.830 216 D CB 0.278 41.153 40.800 0.124 0.000 1.065 216 D HN 0.053 nan 8.370 nan 0.000 0.486 217 S N -0.605 115.047 115.700 -0.080 0.000 2.453 217 S HA 0.009 4.475 4.470 -0.007 0.000 0.231 217 S C 0.760 175.300 174.600 -0.100 0.000 1.005 217 S CA 0.435 58.594 58.200 -0.067 0.000 0.949 217 S CB 0.051 63.226 63.200 -0.042 0.000 0.774 217 S HN 0.358 nan 8.310 nan 0.000 0.510 218 T N 3.739 118.198 114.554 -0.157 0.000 2.771 218 T HA 0.405 4.751 4.350 -0.007 0.000 0.281 218 T C -2.753 171.786 174.700 -0.269 0.000 0.982 218 T CA -1.510 60.488 62.100 -0.170 0.000 0.978 218 T CB 1.556 70.332 68.868 -0.152 0.000 0.930 218 T HN -0.075 nan 8.240 nan 0.000 0.447 219 P HA 0.194 nan 4.420 nan 0.000 0.266 219 P C 0.299 177.408 177.300 -0.318 0.000 1.195 219 P CA 0.121 63.084 63.100 -0.229 0.000 0.768 219 P CB 0.264 31.903 31.700 -0.101 0.000 0.838 220 N N -0.664 117.753 118.700 -0.471 0.000 2.878 220 N HA -0.204 4.532 4.740 -0.007 0.000 0.247 220 N C -0.026 175.050 175.510 -0.723 0.000 1.021 220 N CA 1.112 53.911 53.050 -0.419 0.000 0.873 220 N CB -1.151 37.327 38.487 -0.015 0.000 1.128 220 N HN 0.547 nan 8.380 nan 0.000 0.571 221 R N -0.114 119.720 120.500 -1.110 0.000 2.673 221 R HA 0.496 4.832 4.340 -0.007 0.000 0.281 221 R C -1.510 174.265 176.300 -0.876 0.000 0.991 221 R CA -0.592 55.093 56.100 -0.691 0.000 0.896 221 R CB 1.414 31.538 30.300 -0.293 0.000 1.201 221 R HN 0.094 nan 8.270 nan 0.000 0.457 222 W N 3.407 124.725 121.300 0.029 0.000 2.957 222 W HA 0.356 5.013 4.660 -0.006 0.000 0.336 222 W C -0.901 175.626 176.519 0.013 0.000 1.087 222 W CA -0.719 56.635 57.345 0.015 0.000 1.235 222 W CB 2.303 31.768 29.460 0.009 0.000 1.399 222 W HN 0.435 nan 8.180 nan 0.000 0.480 223 Q N 1.975 121.886 119.800 0.186 0.000 2.325 223 Q HA 0.498 4.834 4.340 -0.007 0.000 0.270 223 Q C -0.768 175.287 176.000 0.091 0.000 1.020 223 Q CA -0.749 55.124 55.803 0.117 0.000 0.785 223 Q CB 3.195 31.971 28.738 0.063 0.000 1.259 223 Q HN 0.132 nan 8.270 nan 0.000 0.452 224 V N 3.180 123.132 119.914 0.065 0.000 2.409 224 V HA 0.416 4.532 4.120 -0.007 0.000 0.291 224 V C -0.087 176.010 176.094 0.005 0.000 1.020 224 V CA -0.772 61.538 62.300 0.017 0.000 0.848 224 V CB 1.564 33.365 31.823 -0.037 0.000 0.990 224 V HN 0.668 nan 8.190 nan 0.000 0.430 225 R N 5.478 125.980 120.500 0.004 0.000 2.490 225 R HA 0.387 4.723 4.340 -0.007 0.000 0.278 225 R C -2.393 173.901 176.300 -0.010 0.000 1.069 225 R CA -1.586 54.518 56.100 0.006 0.000 1.080 225 R CB 0.838 31.144 30.300 0.010 0.000 1.030 225 R HN 0.469 nan 8.270 nan 0.000 0.491 226 P HA 0.127 nan 4.420 nan 0.000 0.268 226 P C -0.304 176.996 177.300 -0.001 0.000 1.205 226 P CA 0.070 63.170 63.100 0.000 0.000 0.771 226 P CB 1.143 32.860 31.700 0.029 0.000 0.858 227 G N 2.327 111.123 108.800 -0.007 0.000 2.328 227 G HA2 0.384 4.340 3.960 -0.007 0.000 0.295 227 G HA3 0.384 4.340 3.960 -0.007 0.000 0.295 227 G C -3.387 171.512 174.900 -0.002 0.000 1.413 227 G CA -0.861 44.239 45.100 -0.001 0.000 0.817 227 G HN 0.371 nan 8.290 nan 0.000 0.546 228 P HA 0.496 nan 4.420 nan 0.000 0.276 228 P C -0.461 176.846 177.300 0.010 0.000 1.244 228 P CA -0.339 62.766 63.100 0.009 0.000 0.801 228 P CB 1.697 33.403 31.700 0.010 0.000 1.006 229 V N 1.600 121.526 119.914 0.021 0.000 2.350 229 V HA 0.428 4.544 4.120 -0.007 0.000 0.276 229 V C 0.805 176.931 176.094 0.053 0.000 1.028 229 V CA -0.824 61.501 62.300 0.041 0.000 0.860 229 V CB 0.612 32.462 31.823 0.046 0.000 0.990 229 V HN 0.761 nan 8.190 nan 0.000 0.453 230 A N 4.146 126.995 122.820 0.049 0.000 2.445 230 A HA 0.654 4.969 4.320 -0.007 0.000 0.242 230 A C 0.728 178.347 177.584 0.059 0.000 1.075 230 A CA 0.191 52.244 52.037 0.026 0.000 0.777 230 A CB 0.393 19.379 19.000 -0.023 0.000 1.013 230 A HN 1.369 nan 8.150 nan 0.000 0.493 231 A N 3.103 125.946 122.820 0.038 0.000 2.527 231 A HA 0.542 4.858 4.320 -0.007 0.000 0.313 231 A C 0.609 178.190 177.584 -0.006 0.000 1.410 231 A CA -0.538 51.535 52.037 0.059 0.000 1.060 231 A CB -0.346 18.683 19.000 0.048 0.000 1.137 231 A HN 0.928 nan 8.150 nan 0.000 0.542 232 R N 1.452 121.912 120.500 -0.066 0.000 2.912 232 R HA 0.697 5.033 4.340 -0.007 0.000 0.262 232 R C -0.340 175.780 176.300 -0.299 0.000 1.057 232 R CA -1.030 54.917 56.100 -0.254 0.000 0.981 232 R CB 1.277 31.292 30.300 -0.476 0.000 1.201 232 R HN 0.484 nan 8.270 nan 0.000 0.484 233 R N 0.892 121.221 120.500 -0.286 0.000 2.308 233 R HA 0.189 4.525 4.340 -0.007 0.000 0.305 233 R C -1.277 174.834 176.300 -0.314 0.000 1.053 233 R CA -0.328 55.671 56.100 -0.169 0.000 0.957 233 R CB 0.665 30.915 30.300 -0.084 0.000 1.022 233 R HN 0.572 nan 8.270 nan 0.000 0.461 234 W N 3.105 124.403 121.300 -0.003 0.000 2.520 234 W HA 0.292 4.948 4.660 -0.006 0.000 0.323 234 W C -0.471 176.045 176.519 -0.005 0.000 1.062 234 W CA -0.497 56.844 57.345 -0.005 0.000 1.215 234 W CB 1.453 30.911 29.460 -0.003 0.000 1.340 234 W HN 0.326 nan 8.180 nan 0.000 0.516 235 D N 3.800 124.315 120.400 0.192 0.000 2.414 235 D HA 0.244 4.880 4.640 -0.007 0.000 0.232 235 D C -0.285 176.085 176.300 0.116 0.000 1.070 235 D CA -0.320 53.749 54.000 0.115 0.000 0.839 235 D CB 1.541 42.373 40.800 0.052 0.000 1.079 235 D HN 0.011 nan 8.370 nan 0.000 0.521 236 I N 2.092 122.717 120.570 0.093 0.000 2.395 236 I HA 0.112 4.278 4.170 -0.007 0.000 0.289 236 I C 1.124 177.255 176.117 0.024 0.000 1.023 236 I CA -0.362 60.975 61.300 0.061 0.000 1.350 236 I CB 0.716 38.745 38.000 0.049 0.000 1.409 236 I HN 0.167 nan 8.210 nan 0.000 0.507 237 E N 6.975 127.174 120.200 -0.001 0.000 2.374 237 E HA 0.239 4.584 4.350 -0.007 0.000 0.260 237 E C -2.227 174.340 176.600 -0.056 0.000 1.101 237 E CA -1.484 54.888 56.400 -0.046 0.000 0.907 237 E CB 0.215 29.861 29.700 -0.091 0.000 1.014 237 E HN 0.335 nan 8.360 nan 0.000 0.427 238 P HA -0.084 nan 4.420 nan 0.000 0.269 238 P C -0.656 176.588 177.300 -0.092 0.000 1.215 238 P CA 0.056 63.117 63.100 -0.065 0.000 0.780 238 P CB 0.423 32.087 31.700 -0.061 0.000 0.898 239 D N 2.374 122.757 120.400 -0.028 0.000 2.342 239 D HA 0.019 4.655 4.640 -0.007 0.000 0.260 239 D C 1.091 177.378 176.300 -0.022 0.000 1.278 239 D CA 0.141 54.136 54.000 -0.008 0.000 0.910 239 D CB 0.429 41.262 40.800 0.055 0.000 1.079 239 D HN 0.276 nan 8.370 nan 0.000 0.496 240 L N 2.756 123.910 121.223 -0.115 0.000 2.291 240 L HA -0.109 4.226 4.340 -0.007 0.000 0.214 240 L C 2.337 179.254 176.870 0.078 0.000 1.120 240 L CA 0.622 55.383 54.840 -0.131 0.000 0.799 240 L CB -0.383 41.472 42.059 -0.340 0.000 0.925 240 L HN 0.345 nan 8.230 nan 0.000 0.446 241 T N -0.342 114.258 114.554 0.076 0.000 2.777 241 T HA -0.133 4.213 4.350 -0.007 0.000 0.266 241 T C 1.655 176.433 174.700 0.131 0.000 1.040 241 T CA 1.591 63.754 62.100 0.104 0.000 1.141 241 T CB -0.285 68.634 68.868 0.085 0.000 0.868 241 T HN 0.420 nan 8.240 nan 0.000 0.444 242 N N 0.990 119.780 118.700 0.150 0.000 2.244 242 N HA 0.002 4.738 4.740 -0.007 0.000 0.183 242 N C 2.136 177.886 175.510 0.399 0.000 1.016 242 N CA 0.740 53.932 53.050 0.237 0.000 0.866 242 N CB -0.154 38.494 38.487 0.267 0.000 0.980 242 N HN 0.326 nan 8.380 nan 0.000 0.430 243 A N 0.671 123.699 122.820 0.347 0.000 1.978 243 A HA -0.118 4.198 4.320 -0.007 0.000 0.220 243 A C 2.288 180.138 177.584 0.443 0.000 1.170 243 A CA 1.118 53.419 52.037 0.441 0.000 0.636 243 A CB -0.691 18.568 19.000 0.432 0.000 0.810 243 A HN 0.122 nan 8.150 nan 0.000 0.448 244 V N -0.330 119.777 119.914 0.320 0.000 2.490 244 V HA -0.246 3.870 4.120 -0.007 0.000 0.250 244 V C 2.992 179.213 176.094 0.213 0.000 1.061 244 V CA 1.725 64.165 62.300 0.233 0.000 1.064 244 V CB -1.084 30.838 31.823 0.165 0.000 0.670 244 V HN 0.636 nan 8.190 nan 0.000 0.461 245 A N -0.256 122.693 122.820 0.214 0.000 1.902 245 A HA -0.185 4.131 4.320 -0.007 0.000 0.217 245 A C 1.996 179.743 177.584 0.271 0.000 1.181 245 A CA 1.876 53.997 52.037 0.140 0.000 0.623 245 A CB -0.658 18.326 19.000 -0.025 0.000 0.818 245 A HN 0.497 nan 8.150 nan 0.000 0.443 246 F N -0.055 120.141 119.950 0.409 0.000 2.163 246 F HA -0.026 4.497 4.527 -0.007 0.000 0.297 246 F C 2.077 177.948 175.800 0.118 0.000 1.094 246 F CA 1.087 59.256 58.000 0.283 0.000 1.290 246 F CB -0.522 38.592 39.000 0.190 0.000 1.017 246 F HN 0.066 nan 8.300 nan 0.000 0.483 247 L N -0.904 120.493 121.223 0.290 0.000 2.131 247 L HA -0.213 4.123 4.340 -0.007 0.000 0.210 247 L C 2.393 179.311 176.870 0.080 0.000 1.092 247 L CA 0.972 55.889 54.840 0.128 0.000 0.759 247 L CB -0.853 41.256 42.059 0.083 0.000 0.903 247 L HN 0.073 nan 8.230 nan 0.000 0.435 248 S N -0.005 115.764 115.700 0.114 0.000 2.399 248 S HA -0.173 4.293 4.470 -0.007 0.000 0.231 248 S C 2.228 176.883 174.600 0.092 0.000 1.022 248 S CA 1.130 59.381 58.200 0.086 0.000 0.983 248 S CB -0.225 63.046 63.200 0.119 0.000 0.803 248 S HN 0.524 nan 8.310 nan 0.000 0.480 249 A N 1.515 124.392 122.820 0.094 0.000 1.933 249 A HA 0.074 4.390 4.320 -0.007 0.000 0.218 249 A C 2.346 179.929 177.584 -0.002 0.000 1.175 249 A CA 1.681 53.727 52.037 0.015 0.000 0.628 249 A CB -1.009 17.884 19.000 -0.179 0.000 0.814 249 A HN 0.520 nan 8.150 nan 0.000 0.444 250 A N -0.518 122.299 122.820 -0.005 0.000 1.877 250 A HA -0.003 4.313 4.320 -0.007 0.000 0.216 250 A C 2.234 179.819 177.584 0.001 0.000 1.186 250 A CA 1.804 53.832 52.037 -0.014 0.000 0.620 250 A CB -0.975 18.009 19.000 -0.027 0.000 0.822 250 A HN 0.397 nan 8.150 nan 0.000 0.443 251 V N 0.296 120.207 119.914 -0.004 0.000 2.295 251 V HA -0.242 3.874 4.120 -0.007 0.000 0.246 251 V C 2.653 178.802 176.094 0.091 0.000 1.049 251 V CA 2.133 64.422 62.300 -0.019 0.000 1.024 251 V CB -0.892 30.857 31.823 -0.124 0.000 0.648 251 V HN 0.626 nan 8.190 nan 0.000 0.447 252 V N -1.006 118.982 119.914 0.123 0.000 3.129 252 V HA 0.039 4.155 4.120 -0.007 0.000 0.259 252 V C 1.981 178.155 176.094 0.133 0.000 1.116 252 V CA 1.524 63.951 62.300 0.212 0.000 1.127 252 V CB -0.141 31.798 31.823 0.193 0.000 0.742 252 V HN 0.607 nan 8.190 nan 0.000 0.474 253 S N -0.442 115.304 115.700 0.078 0.000 2.540 253 S HA 0.435 4.901 4.470 -0.007 0.000 0.218 253 S C 1.674 176.295 174.600 0.034 0.000 0.977 253 S CA 0.616 58.842 58.200 0.043 0.000 0.918 253 S CB 0.304 63.511 63.200 0.012 0.000 0.806 253 S HN 1.787 nan 8.310 nan 0.000 0.496 254 G N 0.556 109.383 108.800 0.045 0.000 2.160 254 G HA2 -0.087 3.868 3.960 -0.007 0.000 0.251 254 G HA3 -0.087 3.868 3.960 -0.007 0.000 0.251 254 G C 0.463 175.367 174.900 0.006 0.000 1.008 254 G CA 0.078 45.196 45.100 0.030 0.000 0.724 254 G HN 1.049 nan 8.290 nan 0.000 0.514 255 G N -1.646 107.152 108.800 -0.003 0.000 2.736 255 G HA2 0.739 4.695 3.960 -0.007 0.000 0.229 255 G HA3 0.739 4.695 3.960 -0.007 0.000 0.229 255 G C -0.396 174.487 174.900 -0.027 0.000 1.380 255 G CA 0.334 45.423 45.100 -0.019 0.000 1.040 255 G HN 0.761 nan 8.290 nan 0.000 0.568 256 T N -0.301 114.231 114.554 -0.036 0.000 3.011 256 T HA 0.514 4.859 4.350 -0.007 0.000 0.303 256 T C -1.082 173.590 174.700 -0.047 0.000 0.997 256 T CA -0.189 61.885 62.100 -0.043 0.000 1.007 256 T CB 1.696 70.539 68.868 -0.042 0.000 1.017 256 T HN 0.344 nan 8.240 nan 0.000 0.443 257 V N 4.031 123.915 119.914 -0.049 0.000 2.588 257 V HA 0.574 4.690 4.120 -0.007 0.000 0.304 257 V C -0.218 175.843 176.094 -0.054 0.000 1.042 257 V CA -0.955 61.321 62.300 -0.040 0.000 0.877 257 V CB 2.168 33.987 31.823 -0.007 0.000 0.996 257 V HN 0.697 nan 8.190 nan 0.000 0.425 258 R N 4.356 124.826 120.500 -0.050 0.000 2.514 258 R HA 0.661 4.997 4.340 -0.007 0.000 0.301 258 R C -1.211 175.071 176.300 -0.030 0.000 0.962 258 R CA -0.773 55.291 56.100 -0.059 0.000 0.882 258 R CB 1.898 32.167 30.300 -0.051 0.000 1.143 258 R HN 0.466 nan 8.270 nan 0.000 0.452 259 I N 2.814 123.379 120.570 -0.008 0.000 2.378 259 I HA 0.150 4.316 4.170 -0.007 0.000 0.291 259 I C 0.885 177.067 176.117 0.109 0.000 0.992 259 I CA -0.489 60.857 61.300 0.076 0.000 1.154 259 I CB 1.478 39.619 38.000 0.235 0.000 1.315 259 I HN 0.692 nan 8.210 nan 0.000 0.448 260 T N 1.016 115.611 114.554 0.069 0.000 2.899 260 T HA 0.449 4.794 4.350 -0.007 0.000 0.295 260 T C 1.103 175.870 174.700 0.112 0.000 1.033 260 T CA 0.201 62.344 62.100 0.072 0.000 1.084 260 T CB 1.406 70.291 68.868 0.028 0.000 0.979 260 T HN 1.092 nan 8.240 nan 0.000 0.532 261 G N 0.953 109.820 108.800 0.112 0.000 2.225 261 G HA2 -0.223 3.733 3.960 -0.007 0.000 0.267 261 G HA3 -0.223 3.733 3.960 -0.007 0.000 0.267 261 G C 0.027 175.016 174.900 0.149 0.000 1.024 261 G CA 0.014 45.176 45.100 0.104 0.000 0.784 261 G HN 0.926 nan 8.290 nan 0.000 0.507 262 W N 1.934 123.247 121.300 0.023 0.000 2.308 262 W HA 0.420 5.076 4.660 -0.007 0.000 0.324 262 W C -1.782 174.777 176.519 0.067 0.000 1.387 262 W CA -1.333 56.034 57.345 0.037 0.000 1.250 262 W CB 0.810 30.280 29.460 0.017 0.000 1.257 262 W HN 0.221 nan 8.180 nan 0.000 0.554 263 P HA 0.135 nan 4.420 nan 0.000 0.281 263 P C 0.311 177.738 177.300 0.211 0.000 1.252 263 P CA -0.017 63.106 63.100 0.038 0.000 0.778 263 P CB 1.236 32.878 31.700 -0.097 0.000 0.895 264 R N 2.723 123.349 120.500 0.209 0.000 2.115 264 R HA 0.051 4.386 4.340 -0.007 0.000 0.226 264 R C 0.064 176.429 176.300 0.108 0.000 1.100 264 R CA 1.135 57.344 56.100 0.181 0.000 0.980 264 R CB 0.011 30.346 30.300 0.059 0.000 0.875 264 R HN 0.329 nan 8.270 nan 0.000 0.445 265 V N 0.581 120.536 119.914 0.069 0.000 2.444 265 V HA 0.362 4.478 4.120 -0.007 0.000 0.294 265 V C -0.797 175.309 176.094 0.021 0.000 1.022 265 V CA -0.699 61.628 62.300 0.045 0.000 0.850 265 V CB 1.536 33.375 31.823 0.026 0.000 0.992 265 V HN 0.192 nan 8.190 nan 0.000 0.426 266 S N 2.558 118.264 115.700 0.011 0.000 2.566 266 S HA 0.511 4.976 4.470 -0.007 0.000 0.298 266 S C 0.779 175.362 174.600 -0.028 0.000 1.083 266 S CA -0.149 58.030 58.200 -0.034 0.000 0.978 266 S CB 2.064 65.211 63.200 -0.087 0.000 1.073 266 S HN 0.955 nan 8.310 nan 0.000 0.491 267 V N 1.442 121.334 119.914 -0.036 0.000 3.510 267 V HA 0.245 4.361 4.120 -0.007 0.000 0.270 267 V C 0.534 176.578 176.094 -0.082 0.000 1.201 267 V CA 0.620 62.899 62.300 -0.036 0.000 1.166 267 V CB -1.274 30.543 31.823 -0.011 0.000 0.825 267 V HN 0.738 nan 8.190 nan 0.000 0.484 268 Q N 1.470 121.208 119.800 -0.103 0.000 2.193 268 Q HA 0.401 4.737 4.340 -0.007 0.000 0.246 268 Q C -2.260 173.680 176.000 -0.100 0.000 0.959 268 Q CA -2.170 53.547 55.803 -0.144 0.000 0.904 268 Q CB 1.220 29.869 28.738 -0.147 0.000 1.238 268 Q HN 0.195 nan 8.270 nan 0.000 0.469 269 P HA 0.045 nan 4.420 nan 0.000 0.225 269 P C -0.213 177.151 177.300 0.106 0.000 1.768 269 P CA 0.288 63.383 63.100 -0.009 0.000 0.943 269 P CB -0.188 31.448 31.700 -0.107 0.000 1.936 270 A N 1.441 124.324 122.820 0.104 0.000 1.908 270 A HA -0.214 4.102 4.320 -0.007 0.000 0.218 270 A C 1.868 179.620 177.584 0.280 0.000 1.181 270 A CA 1.810 53.988 52.037 0.235 0.000 0.627 270 A CB -0.786 18.366 19.000 0.254 0.000 0.818 270 A HN 0.192 nan 8.150 nan 0.000 0.445 271 D N -1.289 119.244 120.400 0.222 0.000 2.144 271 D HA -0.087 4.549 4.640 -0.007 0.000 0.200 271 D C 1.680 178.064 176.300 0.140 0.000 0.978 271 D CA 1.360 55.463 54.000 0.171 0.000 0.833 271 D CB -0.482 40.388 40.800 0.118 0.000 0.961 271 D HN 0.651 nan 8.370 nan 0.000 0.470 272 H N 0.205 119.323 119.070 0.079 0.000 2.353 272 H HA 0.023 4.575 4.556 -0.007 0.000 0.300 272 H C 2.187 177.557 175.328 0.070 0.000 1.090 272 H CA 0.844 56.931 56.048 0.065 0.000 1.327 272 H CB -0.134 29.664 29.762 0.060 0.000 1.383 272 H HN 0.130 nan 8.280 nan 0.000 0.508 273 I N -0.088 120.625 120.570 0.239 0.000 2.202 273 I HA -0.243 3.923 4.170 -0.007 0.000 0.242 273 I C 1.883 178.073 176.117 0.121 0.000 1.091 273 I CA 1.052 62.465 61.300 0.188 0.000 1.368 273 I CB -0.190 37.967 38.000 0.262 0.000 1.058 273 I HN 0.204 nan 8.210 nan 0.000 0.410 274 L N 0.358 121.659 121.223 0.131 0.000 2.141 274 L HA -0.159 4.177 4.340 -0.007 0.000 0.209 274 L C 2.812 179.680 176.870 -0.004 0.000 1.094 274 L CA 1.119 55.979 54.840 0.033 0.000 0.763 274 L CB -0.801 41.285 42.059 0.045 0.000 0.908 274 L HN 0.245 nan 8.230 nan 0.000 0.437 275 A N 0.462 123.289 122.820 0.011 0.000 1.930 275 A HA -0.148 4.168 4.320 -0.007 0.000 0.217 275 A C 2.204 179.759 177.584 -0.048 0.000 1.175 275 A CA 1.305 53.327 52.037 -0.026 0.000 0.627 275 A CB -0.504 18.469 19.000 -0.045 0.000 0.815 275 A HN 0.320 nan 8.150 nan 0.000 0.443 276 I N -0.262 120.287 120.570 -0.036 0.000 2.252 276 I HA -0.250 3.916 4.170 -0.007 0.000 0.245 276 I C 2.312 178.328 176.117 -0.168 0.000 1.102 276 I CA 1.025 62.269 61.300 -0.092 0.000 1.385 276 I CB -0.290 37.679 38.000 -0.053 0.000 1.064 276 I HN 0.288 nan 8.210 nan 0.000 0.414 277 L N 0.083 121.228 121.223 -0.129 0.000 2.042 277 L HA -0.223 4.113 4.340 -0.007 0.000 0.210 277 L C 2.659 179.429 176.870 -0.167 0.000 1.076 277 L CA 1.464 56.204 54.840 -0.168 0.000 0.749 277 L CB -0.615 41.367 42.059 -0.127 0.000 0.893 277 L HN 0.171 nan 8.230 nan 0.000 0.432 278 R N -0.493 119.936 120.500 -0.119 0.000 2.148 278 R HA -0.147 4.189 4.340 -0.007 0.000 0.227 278 R C 2.281 178.523 176.300 -0.096 0.000 1.103 278 R CA 0.817 56.861 56.100 -0.093 0.000 0.983 278 R CB -0.193 30.069 30.300 -0.062 0.000 0.874 278 R HN 0.471 nan 8.270 nan 0.000 0.451 279 Q N 0.062 119.789 119.800 -0.121 0.000 2.170 279 Q HA -0.133 4.203 4.340 -0.007 0.000 0.203 279 Q C 0.914 176.835 176.000 -0.131 0.000 0.976 279 Q CA 1.023 56.759 55.803 -0.111 0.000 0.858 279 Q CB 0.133 28.788 28.738 -0.139 0.000 0.907 279 Q HN 0.181 nan 8.270 nan 0.000 0.433 280 L N 0.335 121.418 121.223 -0.234 0.000 2.629 280 L HA 0.073 4.409 4.340 -0.007 0.000 0.230 280 L C -0.206 176.596 176.870 -0.113 0.000 1.151 280 L CA 0.520 55.213 54.840 -0.245 0.000 0.924 280 L CB -0.357 41.364 42.059 -0.563 0.000 1.137 280 L HN 0.197 nan 8.230 nan 0.000 0.457 281 N N -1.576 117.080 118.700 -0.074 0.000 2.782 281 N HA -0.193 4.542 4.740 -0.007 0.000 0.251 281 N C 0.341 175.823 175.510 -0.046 0.000 1.101 281 N CA 0.686 53.716 53.050 -0.033 0.000 0.764 281 N CB -0.947 37.549 38.487 0.016 0.000 1.122 281 N HN 0.435 nan 8.380 nan 0.000 0.561 282 A N -0.206 122.561 122.820 -0.090 0.000 2.407 282 A HA 0.499 4.815 4.320 -0.007 0.000 0.248 282 A C 0.590 178.129 177.584 -0.075 0.000 1.082 282 A CA -0.154 51.832 52.037 -0.086 0.000 0.785 282 A CB 0.656 19.584 19.000 -0.120 0.000 1.020 282 A HN 0.102 nan 8.150 nan 0.000 0.489 283 V N 3.028 122.902 119.914 -0.067 0.000 2.432 283 V HA 0.339 4.455 4.120 -0.007 0.000 0.275 283 V C -0.093 175.943 176.094 -0.096 0.000 1.043 283 V CA -0.205 62.055 62.300 -0.066 0.000 0.925 283 V CB 1.132 32.925 31.823 -0.050 0.000 0.985 283 V HN 0.581 nan 8.190 nan 0.000 0.466 284 V N 6.873 126.723 119.914 -0.106 0.000 2.448 284 V HA 0.587 4.703 4.120 -0.007 0.000 0.295 284 V C -0.193 175.806 176.094 -0.158 0.000 1.025 284 V CA -0.475 61.725 62.300 -0.167 0.000 0.859 284 V CB 1.637 33.349 31.823 -0.185 0.000 0.988 284 V HN 0.786 nan 8.190 nan 0.000 0.431 285 I N 1.162 121.607 120.570 -0.210 0.000 2.769 285 I HA 0.669 4.835 4.170 -0.007 0.000 0.298 285 I C -1.215 174.759 176.117 -0.238 0.000 1.128 285 I CA -0.799 60.419 61.300 -0.136 0.000 1.031 285 I CB 2.532 40.489 38.000 -0.071 0.000 1.235 285 I HN 0.562 nan 8.210 nan 0.000 0.423 286 H N 4.276 123.279 119.070 -0.112 0.000 2.562 286 H HA 0.840 5.392 4.556 -0.007 0.000 0.314 286 H C -0.251 175.047 175.328 -0.050 0.000 1.079 286 H CA -0.018 55.976 56.048 -0.091 0.000 1.349 286 H CB 1.537 31.271 29.762 -0.045 0.000 1.432 286 H HN 0.887 nan 8.280 nan 0.000 0.479 287 A N 2.447 125.298 122.820 0.053 0.000 2.540 287 A HA 0.416 4.732 4.320 -0.007 0.000 0.297 287 A C -0.759 176.847 177.584 0.037 0.000 1.056 287 A CA -0.851 51.209 52.037 0.038 0.000 0.700 287 A CB 0.958 19.961 19.000 0.005 0.000 1.280 287 A HN 0.855 nan 8.150 nan 0.000 0.398 288 D N 2.020 122.443 120.400 0.039 0.000 2.772 288 D HA -0.238 4.398 4.640 -0.007 0.000 0.233 288 D C 0.692 177.024 176.300 0.052 0.000 1.143 288 D CA 2.171 56.192 54.000 0.035 0.000 0.700 288 D CB -1.481 39.331 40.800 0.020 0.000 1.076 288 D HN 1.970 nan 8.370 nan 0.000 0.430 289 S N -2.872 112.875 115.700 0.078 0.000 3.521 289 S HA -0.284 4.182 4.470 -0.007 0.000 0.328 289 S C 0.178 174.858 174.600 0.133 0.000 1.165 289 S CA 1.543 59.809 58.200 0.110 0.000 0.941 289 S CB -2.067 61.183 63.200 0.083 0.000 0.951 289 S HN 1.248 nan 8.310 nan 0.000 0.539 290 S N -0.017 115.745 115.700 0.103 0.000 2.671 290 S HA 0.851 5.317 4.470 -0.007 0.000 0.299 290 S C -0.855 173.723 174.600 -0.037 0.000 1.116 290 S CA -0.692 57.553 58.200 0.074 0.000 0.912 290 S CB 2.005 65.221 63.200 0.026 0.000 1.130 290 S HN 1.374 nan 8.310 nan 0.000 0.501 291 L N 1.673 122.806 121.223 -0.150 0.000 2.333 291 L HA 0.672 5.008 4.340 -0.007 0.000 0.280 291 L C -0.559 176.111 176.870 -0.334 0.000 1.004 291 L CA -0.143 54.406 54.840 -0.486 0.000 0.820 291 L CB 1.617 42.996 42.059 -1.134 0.000 1.247 291 L HN 0.950 nan 8.230 nan 0.000 0.416 292 E N 3.967 123.985 120.200 -0.303 0.000 2.187 292 E HA 0.595 4.941 4.350 -0.007 0.000 0.268 292 E C -1.850 174.623 176.600 -0.213 0.000 0.896 292 E CA -0.766 55.517 56.400 -0.196 0.000 0.766 292 E CB 1.903 31.526 29.700 -0.128 0.000 1.142 292 E HN 0.482 nan 8.360 nan 0.000 0.408 293 V N 5.171 124.985 119.914 -0.167 0.000 2.487 293 V HA 0.448 4.563 4.120 -0.007 0.000 0.298 293 V C -0.426 175.611 176.094 -0.094 0.000 1.028 293 V CA -0.730 61.484 62.300 -0.144 0.000 0.860 293 V CB 1.597 33.335 31.823 -0.142 0.000 0.991 293 V HN 0.678 nan 8.190 nan 0.000 0.427 294 R N 3.019 123.470 120.500 -0.082 0.000 2.295 294 R HA 0.615 4.951 4.340 -0.007 0.000 0.324 294 R C 0.446 176.718 176.300 -0.046 0.000 0.968 294 R CA -0.423 55.643 56.100 -0.055 0.000 0.837 294 R CB 1.858 32.130 30.300 -0.047 0.000 1.133 294 R HN 0.871 nan 8.270 nan 0.000 0.450 295 G N 3.655 112.437 108.800 -0.030 0.000 2.539 295 G HA2 0.299 4.255 3.960 -0.007 0.000 0.258 295 G HA3 0.299 4.255 3.960 -0.007 0.000 0.258 295 G C -2.089 172.817 174.900 0.010 0.000 1.202 295 G CA -0.901 44.191 45.100 -0.014 0.000 0.851 295 G HN 0.338 nan 8.290 nan 0.000 0.556 296 P HA 0.155 nan 4.420 nan 0.000 0.277 296 P C 1.011 178.356 177.300 0.075 0.000 1.271 296 P CA -0.140 62.994 63.100 0.056 0.000 0.795 296 P CB 0.949 32.700 31.700 0.084 0.000 1.101 297 T N -3.314 111.275 114.554 0.058 0.000 3.035 297 T HA 0.271 4.617 4.350 -0.007 0.000 0.268 297 T C 0.987 175.720 174.700 0.056 0.000 1.109 297 T CA 0.705 62.834 62.100 0.047 0.000 1.119 297 T CB -0.634 68.251 68.868 0.028 0.000 0.900 297 T HN 0.726 nan 8.240 nan 0.000 0.503 298 G N 0.151 109.003 108.800 0.087 0.000 2.506 298 G HA2 0.543 4.499 3.960 -0.007 0.000 0.292 298 G HA3 0.543 4.499 3.960 -0.007 0.000 0.292 298 G C -2.129 172.871 174.900 0.166 0.000 1.425 298 G CA -0.991 44.148 45.100 0.065 0.000 0.788 298 G HN 0.529 nan 8.290 nan 0.000 0.490 299 Y N -1.081 119.249 120.300 0.050 0.000 2.552 299 Y HA 0.732 5.278 4.550 -0.007 0.000 0.337 299 Y C -1.006 174.950 175.900 0.093 0.000 1.094 299 Y CA -1.498 56.644 58.100 0.071 0.000 1.028 299 Y CB 1.142 39.650 38.460 0.079 0.000 1.321 299 Y HN 0.453 nan 8.280 nan 0.000 0.456 300 D N 0.982 121.503 120.400 0.202 0.000 2.511 300 D HA 0.408 5.044 4.640 -0.007 0.000 0.276 300 D C 0.262 176.717 176.300 0.257 0.000 1.220 300 D CA -0.102 53.978 54.000 0.133 0.000 1.077 300 D CB 1.034 41.894 40.800 0.100 0.000 1.126 300 D HN 0.973 nan 8.370 nan 0.000 0.583 301 G N -0.888 107.986 108.800 0.123 0.000 2.594 301 G HA2 0.451 4.406 3.960 -0.007 0.000 0.243 301 G HA3 0.451 4.406 3.960 -0.007 0.000 0.243 301 G C -0.747 174.235 174.900 0.137 0.000 1.229 301 G CA -0.189 44.929 45.100 0.031 0.000 0.843 301 G HN 0.347 nan 8.290 nan 0.000 0.578 302 F N -1.180 118.824 119.950 0.090 0.000 2.613 302 F HA 0.609 5.132 4.527 -0.007 0.000 0.310 302 F C -1.179 174.652 175.800 0.052 0.000 1.085 302 F CA -1.787 56.253 58.000 0.067 0.000 0.945 302 F CB 1.710 40.748 39.000 0.065 0.000 1.298 302 F HN 0.222 nan 8.300 nan 0.000 0.455 303 D N 1.817 122.349 120.400 0.220 0.000 2.217 303 D HA 0.541 5.177 4.640 -0.007 0.000 0.243 303 D C -1.174 175.262 176.300 0.228 0.000 1.054 303 D CA -0.271 53.819 54.000 0.150 0.000 0.838 303 D CB 2.430 43.280 40.800 0.083 0.000 1.162 303 D HN 0.622 nan 8.370 nan 0.000 0.472 304 V N 1.855 121.897 119.914 0.214 0.000 2.733 304 V HA 0.251 4.367 4.120 -0.007 0.000 0.306 304 V C -1.592 174.586 176.094 0.140 0.000 1.084 304 V CA -0.787 61.632 62.300 0.198 0.000 0.905 304 V CB 2.336 34.322 31.823 0.271 0.000 1.010 304 V HN 0.396 nan 8.190 nan 0.000 0.424 305 D N 5.332 125.802 120.400 0.117 0.000 2.313 305 D HA 0.329 4.964 4.640 -0.007 0.000 0.239 305 D C 0.370 176.745 176.300 0.125 0.000 1.142 305 D CA 0.055 54.119 54.000 0.106 0.000 0.847 305 D CB 1.403 42.260 40.800 0.095 0.000 1.082 305 D HN 0.583 nan 8.370 nan 0.000 0.480 306 L N 3.885 125.177 121.223 0.115 0.000 2.818 306 L HA 0.207 4.543 4.340 -0.007 0.000 0.243 306 L C 1.964 178.906 176.870 0.119 0.000 1.185 306 L CA -0.335 54.578 54.840 0.122 0.000 0.988 306 L CB 0.102 42.225 42.059 0.107 0.000 1.292 306 L HN 0.230 nan 8.230 nan 0.000 0.519 307 R N 1.920 122.484 120.500 0.107 0.000 2.117 307 R HA -0.164 4.172 4.340 -0.007 0.000 0.243 307 R C 1.975 178.305 176.300 0.050 0.000 1.143 307 R CA 2.061 58.211 56.100 0.084 0.000 0.968 307 R CB -0.263 30.074 30.300 0.061 0.000 0.863 307 R HN 0.320 nan 8.270 nan 0.000 0.444 308 A N -0.536 122.308 122.820 0.040 0.000 2.132 308 A HA 0.161 4.477 4.320 -0.007 0.000 0.213 308 A C 0.709 178.255 177.584 -0.064 0.000 1.154 308 A CA 0.735 52.736 52.037 -0.060 0.000 0.753 308 A CB 0.314 19.190 19.000 -0.208 0.000 0.826 308 A HN 0.292 nan 8.150 nan 0.000 0.469 309 V N -4.101 115.827 119.914 0.023 0.000 2.719 309 V HA 0.512 4.628 4.120 -0.007 0.000 0.330 309 V C 0.993 177.161 176.094 0.123 0.000 1.224 309 V CA -0.006 62.333 62.300 0.066 0.000 1.314 309 V CB -0.442 31.402 31.823 0.035 0.000 1.416 309 V HN 0.199 nan 8.190 nan 0.000 0.651 310 G N 2.004 110.911 108.800 0.178 0.000 2.448 310 G HA2 -0.218 3.737 3.960 -0.007 0.000 0.219 310 G HA3 -0.218 3.737 3.960 -0.007 0.000 0.219 310 G C 1.125 176.100 174.900 0.125 0.000 1.127 310 G CA 1.136 46.333 45.100 0.163 0.000 0.766 310 G HN 0.897 nan 8.290 nan 0.000 0.552 311 E N 0.328 120.624 120.200 0.161 0.000 2.472 311 E HA 0.015 4.361 4.350 -0.007 0.000 0.200 311 E C 1.919 178.549 176.600 0.051 0.000 1.046 311 E CA 0.206 56.665 56.400 0.099 0.000 0.871 311 E CB -0.299 29.429 29.700 0.046 0.000 0.806 311 E HN 0.456 nan 8.360 nan 0.000 0.533 312 L N 1.045 122.310 121.223 0.069 0.000 2.554 312 L HA 0.000 4.336 4.340 -0.007 0.000 0.226 312 L C 1.977 178.877 176.870 0.049 0.000 1.137 312 L CA 0.624 55.498 54.840 0.058 0.000 0.863 312 L CB -0.292 41.814 42.059 0.080 0.000 0.985 312 L HN 0.165 nan 8.230 nan 0.000 0.451 313 T N 0.497 115.077 114.554 0.043 0.000 2.684 313 T HA -0.114 4.232 4.350 -0.007 0.000 0.267 313 T C -0.458 174.266 174.700 0.041 0.000 1.036 313 T CA 1.402 63.527 62.100 0.041 0.000 1.148 313 T CB -0.892 67.977 68.868 0.001 0.000 0.863 313 T HN 0.240 nan 8.240 nan 0.000 0.436 314 P HA -0.015 nan 4.420 nan 0.000 0.215 314 P C 1.778 179.097 177.300 0.032 0.000 1.157 314 P CA 1.091 64.211 63.100 0.033 0.000 0.868 314 P CB -0.110 31.585 31.700 -0.008 0.000 0.788 315 S N -0.845 114.858 115.700 0.005 0.000 2.382 315 S HA -0.097 4.369 4.470 -0.007 0.000 0.228 315 S C 1.979 176.617 174.600 0.063 0.000 1.027 315 S CA 1.119 59.327 58.200 0.014 0.000 0.991 315 S CB -1.161 62.047 63.200 0.014 0.000 0.823 315 S HN -0.047 nan 8.310 nan 0.000 0.469 316 V N 1.834 121.800 119.914 0.087 0.000 2.548 316 V HA -0.117 3.999 4.120 -0.007 0.000 0.249 316 V C 2.568 178.799 176.094 0.229 0.000 1.055 316 V CA 1.444 63.836 62.300 0.153 0.000 1.065 316 V CB -1.101 30.816 31.823 0.157 0.000 0.681 316 V HN 0.522 nan 8.190 nan 0.000 0.462 317 A N 0.165 123.079 122.820 0.157 0.000 1.902 317 A HA -0.113 4.203 4.320 -0.007 0.000 0.217 317 A C 2.432 180.107 177.584 0.151 0.000 1.181 317 A CA 2.003 54.126 52.037 0.144 0.000 0.623 317 A CB -0.694 18.376 19.000 0.118 0.000 0.818 317 A HN 0.549 nan 8.150 nan 0.000 0.443 318 A N -0.134 122.757 122.820 0.118 0.000 1.902 318 A HA -0.041 4.275 4.320 -0.007 0.000 0.217 318 A C 2.158 179.831 177.584 0.147 0.000 1.181 318 A CA 1.466 53.547 52.037 0.073 0.000 0.623 318 A CB -0.636 18.347 19.000 -0.029 0.000 0.818 318 A HN 0.476 nan 8.150 nan 0.000 0.443 319 L N -0.726 120.614 121.223 0.196 0.000 2.042 319 L HA -0.242 4.094 4.340 -0.007 0.000 0.210 319 L C 3.092 180.253 176.870 0.484 0.000 1.076 319 L CA 1.218 56.242 54.840 0.307 0.000 0.749 319 L CB -0.617 41.550 42.059 0.181 0.000 0.893 319 L HN 0.446 nan 8.230 nan 0.000 0.432 320 A N -0.020 123.054 122.820 0.422 0.000 1.933 320 A HA -0.133 4.182 4.320 -0.007 0.000 0.218 320 A C 2.490 180.149 177.584 0.125 0.000 1.175 320 A CA 1.598 53.756 52.037 0.201 0.000 0.628 320 A CB -0.642 18.313 19.000 -0.074 0.000 0.814 320 A HN 0.408 nan 8.150 nan 0.000 0.444 321 A N -0.811 122.085 122.820 0.126 0.000 2.067 321 A HA 0.136 4.452 4.320 -0.007 0.000 0.219 321 A C 1.765 179.393 177.584 0.073 0.000 1.158 321 A CA 1.184 53.273 52.037 0.087 0.000 0.661 321 A CB -0.362 18.700 19.000 0.102 0.000 0.801 321 A HN 0.463 nan 8.150 nan 0.000 0.452 322 L N -0.891 120.402 121.223 0.116 0.000 2.728 322 L HA 0.297 4.632 4.340 -0.007 0.000 0.238 322 L C 1.236 178.048 176.870 -0.096 0.000 1.143 322 L CA -0.235 54.644 54.840 0.065 0.000 0.937 322 L CB -0.151 41.989 42.059 0.136 0.000 1.225 322 L HN 0.356 nan 8.230 nan 0.000 0.507 323 A N 0.509 123.249 122.820 -0.133 0.000 2.409 323 A HA 0.273 4.589 4.320 -0.007 0.000 0.246 323 A C 0.879 178.289 177.584 -0.289 0.000 1.099 323 A CA 0.054 51.826 52.037 -0.441 0.000 0.789 323 A CB 0.153 19.109 19.000 -0.072 0.000 1.053 323 A HN 0.372 nan 8.150 nan 0.000 0.503 324 S N 0.634 116.162 115.700 -0.288 0.000 2.558 324 S HA 0.287 4.752 4.470 -0.007 0.000 0.288 324 S C -2.584 171.961 174.600 -0.091 0.000 1.318 324 S CA -0.786 57.319 58.200 -0.158 0.000 1.056 324 S CB -0.321 62.812 63.200 -0.112 0.000 0.853 324 S HN 0.467 nan 8.310 nan 0.000 0.505 325 P HA 0.241 nan 4.420 nan 0.000 0.262 325 P C 1.166 178.446 177.300 -0.032 0.000 1.182 325 P CA 1.318 64.393 63.100 -0.041 0.000 0.761 325 P CB 0.101 31.783 31.700 -0.030 0.000 0.795 326 G N 1.881 110.665 108.800 -0.027 0.000 2.217 326 G HA2 -0.247 3.709 3.960 -0.007 0.000 0.246 326 G HA3 -0.247 3.709 3.960 -0.007 0.000 0.246 326 G C 0.422 175.306 174.900 -0.026 0.000 0.990 326 G CA 0.003 45.090 45.100 -0.022 0.000 0.627 326 G HN 0.576 nan 8.290 nan 0.000 0.522 327 S N -0.219 115.461 115.700 -0.033 0.000 2.568 327 S HA 0.456 4.921 4.470 -0.007 0.000 0.282 327 S C 0.395 174.964 174.600 -0.051 0.000 1.338 327 S CA 0.216 58.395 58.200 -0.035 0.000 1.045 327 S CB 1.985 65.165 63.200 -0.035 0.000 0.873 327 S HN 0.842 nan 8.310 nan 0.000 0.516 328 V N 2.892 122.771 119.914 -0.058 0.000 2.448 328 V HA 0.491 4.606 4.120 -0.007 0.000 0.295 328 V C -0.162 175.850 176.094 -0.137 0.000 1.025 328 V CA -0.564 61.689 62.300 -0.079 0.000 0.859 328 V CB 1.843 33.636 31.823 -0.050 0.000 0.988 328 V HN 0.862 nan 8.190 nan 0.000 0.431 329 S N 4.638 120.210 115.700 -0.213 0.000 2.500 329 S HA 0.682 5.148 4.470 -0.007 0.000 0.301 329 S C -0.540 173.931 174.600 -0.215 0.000 1.092 329 S CA -0.897 57.085 58.200 -0.363 0.000 1.030 329 S CB 1.613 64.334 63.200 -0.798 0.000 1.031 329 S HN 0.700 nan 8.310 nan 0.000 0.483 330 R N 1.675 122.089 120.500 -0.143 0.000 2.393 330 R HA 0.505 4.840 4.340 -0.007 0.000 0.315 330 R C -1.579 174.715 176.300 -0.009 0.000 0.952 330 R CA -0.796 55.270 56.100 -0.056 0.000 0.842 330 R CB 0.847 31.134 30.300 -0.021 0.000 1.163 330 R HN 0.293 nan 8.270 nan 0.000 0.450 331 L N 2.436 123.661 121.223 0.005 0.000 2.282 331 L HA 0.431 4.767 4.340 -0.007 0.000 0.288 331 L C 0.273 177.166 176.870 0.039 0.000 1.033 331 L CA 0.158 55.029 54.840 0.050 0.000 0.807 331 L CB 1.470 43.562 42.059 0.055 0.000 1.209 331 L HN 0.770 nan 8.230 nan 0.000 0.423 332 S N 0.206 115.939 115.700 0.055 0.000 2.740 332 S HA 0.852 5.318 4.470 -0.007 0.000 0.300 332 S C 0.581 175.215 174.600 0.057 0.000 1.147 332 S CA -0.238 57.989 58.200 0.045 0.000 0.871 332 S CB 1.672 64.899 63.200 0.044 0.000 1.173 332 S HN 1.182 nan 8.310 nan 0.000 0.510 333 G N 0.299 109.131 108.800 0.053 0.000 2.143 333 G HA2 -0.209 3.746 3.960 -0.007 0.000 0.248 333 G HA3 -0.209 3.746 3.960 -0.007 0.000 0.248 333 G C 0.242 175.198 174.900 0.093 0.000 0.991 333 G CA 0.419 45.560 45.100 0.067 0.000 0.689 333 G HN 1.735 nan 8.290 nan 0.000 0.522 334 I N -3.719 116.890 120.570 0.066 0.000 3.326 334 I HA 0.735 4.900 4.170 -0.007 0.000 0.336 334 I C 1.591 177.692 176.117 -0.026 0.000 1.543 334 I CA 0.081 61.412 61.300 0.051 0.000 1.013 334 I CB 0.226 38.206 38.000 -0.033 0.000 1.468 334 I HN 0.063 nan 8.210 nan 0.000 0.515 335 A N 2.176 125.015 122.820 0.031 0.000 1.978 335 A HA -0.261 4.054 4.320 -0.007 0.000 0.220 335 A C 2.305 179.869 177.584 -0.034 0.000 1.170 335 A CA 2.194 54.228 52.037 -0.005 0.000 0.636 335 A CB -1.105 17.913 19.000 0.029 0.000 0.810 335 A HN 0.836 nan 8.150 nan 0.000 0.448 336 H N -1.104 117.901 119.070 -0.109 0.000 2.545 336 H HA 0.017 4.568 4.556 -0.007 0.000 0.282 336 H C 1.382 176.543 175.328 -0.278 0.000 1.020 336 H CA 1.222 57.188 56.048 -0.136 0.000 1.243 336 H CB -0.471 29.227 29.762 -0.107 0.000 1.377 336 H HN 0.326 nan 8.280 nan 0.000 0.581 337 L N 1.184 121.921 121.223 -0.810 0.000 2.465 337 L HA -0.004 4.332 4.340 -0.007 0.000 0.224 337 L C 2.572 179.187 176.870 -0.424 0.000 1.145 337 L CA 0.777 55.060 54.840 -0.929 0.000 0.834 337 L CB -0.377 41.276 42.059 -0.676 0.000 0.944 337 L HN 0.172 nan 8.230 nan 0.000 0.451 338 R N -0.972 119.377 120.500 -0.252 0.000 2.193 338 R HA -0.043 4.293 4.340 -0.007 0.000 0.229 338 R C 1.688 177.941 176.300 -0.078 0.000 1.110 338 R CA 1.039 57.060 56.100 -0.131 0.000 0.988 338 R CB -0.400 29.853 30.300 -0.079 0.000 0.871 338 R HN 0.421 nan 8.270 nan 0.000 0.458 339 G N -0.670 108.091 108.800 -0.065 0.000 3.434 339 G HA2 0.041 3.997 3.960 -0.007 0.000 0.258 339 G HA3 0.041 3.997 3.960 -0.007 0.000 0.258 339 G C 0.028 174.995 174.900 0.112 0.000 1.128 339 G CA -0.361 44.756 45.100 0.028 0.000 0.792 339 G HN 0.275 nan 8.290 nan 0.000 0.539 340 H N -0.312 118.699 119.070 -0.098 0.000 2.294 340 H HA 0.132 4.683 4.556 -0.007 0.000 0.318 340 H C 1.455 176.748 175.328 -0.058 0.000 1.644 340 H CA -0.564 55.428 56.048 -0.094 0.000 1.466 340 H CB 1.033 30.715 29.762 -0.134 0.000 1.735 340 H HN 0.043 nan 8.280 nan 0.000 0.676 341 E N -0.099 120.127 120.200 0.042 0.000 2.136 341 E HA -0.171 4.175 4.350 -0.007 0.000 0.208 341 E C 0.528 177.148 176.600 0.033 0.000 1.035 341 E CA 1.710 58.121 56.400 0.017 0.000 0.838 341 E CB -0.021 29.704 29.700 0.042 0.000 0.748 341 E HN 0.287 nan 8.360 nan 0.000 0.459 342 T N -1.279 113.291 114.554 0.028 0.000 2.864 342 T HA 0.150 4.496 4.350 -0.007 0.000 0.289 342 T C -1.601 173.067 174.700 -0.052 0.000 1.082 342 T CA -0.926 61.169 62.100 -0.009 0.000 1.009 342 T CB 1.308 70.154 68.868 -0.036 0.000 1.234 342 T HN -0.080 nan 8.240 nan 0.000 0.526 343 D N 1.359 121.705 120.400 -0.090 0.000 2.357 343 D HA 0.126 4.762 4.640 -0.007 0.000 0.265 343 D C 1.165 177.349 176.300 -0.193 0.000 1.334 343 D CA 0.204 54.131 54.000 -0.121 0.000 0.984 343 D CB 0.435 41.173 40.800 -0.102 0.000 1.077 343 D HN 0.415 nan 8.370 nan 0.000 0.514 344 R N 2.693 123.088 120.500 -0.175 0.000 2.189 344 R HA 0.014 4.350 4.340 -0.007 0.000 0.218 344 R C 1.923 178.112 176.300 -0.184 0.000 1.074 344 R CA 0.597 56.584 56.100 -0.189 0.000 0.991 344 R CB 0.181 30.404 30.300 -0.130 0.000 0.883 344 R HN 0.493 nan 8.270 nan 0.000 0.457 345 L N -0.272 120.851 121.223 -0.167 0.000 2.027 345 L HA -0.087 4.249 4.340 -0.007 0.000 0.206 345 L C 2.637 179.426 176.870 -0.135 0.000 1.074 345 L CA 1.242 56.004 54.840 -0.130 0.000 0.745 345 L CB -0.648 41.344 42.059 -0.111 0.000 0.898 345 L HN 0.197 nan 8.230 nan 0.000 0.433 346 A N 0.266 122.995 122.820 -0.152 0.000 1.902 346 A HA -0.124 4.192 4.320 -0.007 0.000 0.217 346 A C 2.538 179.983 177.584 -0.231 0.000 1.181 346 A CA 1.736 53.681 52.037 -0.153 0.000 0.623 346 A CB -0.647 18.274 19.000 -0.131 0.000 0.818 346 A HN 0.393 nan 8.150 nan 0.000 0.443 347 A N -0.383 122.203 122.820 -0.390 0.000 1.898 347 A HA 0.026 4.341 4.320 -0.007 0.000 0.216 347 A C 2.166 179.493 177.584 -0.428 0.000 1.181 347 A CA 1.379 53.011 52.037 -0.675 0.000 0.620 347 A CB -0.564 17.693 19.000 -1.239 0.000 0.819 347 A HN 0.453 nan 8.150 nan 0.000 0.442 348 L N -0.725 120.336 121.223 -0.271 0.000 2.046 348 L HA -0.163 4.173 4.340 -0.007 0.000 0.208 348 L C 2.936 179.743 176.870 -0.105 0.000 1.077 348 L CA 1.472 56.233 54.840 -0.132 0.000 0.747 348 L CB -0.434 41.613 42.059 -0.020 0.000 0.896 348 L HN 0.505 nan 8.230 nan 0.000 0.432 349 S N -0.755 114.884 115.700 -0.101 0.000 2.353 349 S HA -0.229 4.236 4.470 -0.007 0.000 0.222 349 S C 2.018 176.570 174.600 -0.080 0.000 1.035 349 S CA 2.224 60.383 58.200 -0.068 0.000 1.025 349 S CB -0.252 62.909 63.200 -0.066 0.000 0.902 349 S HN 0.437 nan 8.310 nan 0.000 0.440 350 T N 1.994 116.480 114.554 -0.113 0.000 2.684 350 T HA -0.057 4.288 4.350 -0.007 0.000 0.267 350 T C 1.788 176.405 174.700 -0.138 0.000 1.036 350 T CA 1.491 63.536 62.100 -0.092 0.000 1.148 350 T CB -0.351 68.489 68.868 -0.048 0.000 0.863 350 T HN 0.410 nan 8.240 nan 0.000 0.436 351 E N 0.615 120.641 120.200 -0.290 0.000 2.158 351 E HA 0.118 4.464 4.350 -0.007 0.000 0.191 351 E C 2.267 178.721 176.600 -0.244 0.000 0.982 351 E CA 0.426 56.522 56.400 -0.505 0.000 0.823 351 E CB -0.313 28.563 29.700 -1.373 0.000 0.766 351 E HN 0.508 nan 8.360 nan 0.000 0.468 352 I N 1.808 122.339 120.570 -0.065 0.000 2.226 352 I HA -0.253 3.913 4.170 -0.007 0.000 0.245 352 I C 1.769 177.942 176.117 0.093 0.000 1.100 352 I CA 0.828 62.232 61.300 0.173 0.000 1.374 352 I CB -0.227 37.878 38.000 0.175 0.000 1.057 352 I HN 0.020 nan 8.210 nan 0.000 0.413 353 N N 0.893 119.608 118.700 0.026 0.000 2.244 353 N HA -0.111 4.625 4.740 -0.007 0.000 0.183 353 N C 1.876 177.401 175.510 0.025 0.000 1.016 353 N CA 0.944 54.007 53.050 0.022 0.000 0.866 353 N CB -0.287 38.201 38.487 0.001 0.000 0.980 353 N HN 0.305 nan 8.380 nan 0.000 0.430 354 R N 0.519 121.025 120.500 0.010 0.000 2.105 354 R HA 0.045 4.381 4.340 -0.007 0.000 0.239 354 R C 1.528 177.862 176.300 0.056 0.000 1.135 354 R CA 0.756 56.867 56.100 0.018 0.000 0.967 354 R CB -0.200 30.095 30.300 -0.008 0.000 0.861 354 R HN 0.208 nan 8.270 nan 0.000 0.442 355 L N -0.406 120.878 121.223 0.101 0.000 2.645 355 L HA 0.159 4.495 4.340 -0.007 0.000 0.235 355 L C 0.980 177.901 176.870 0.084 0.000 1.150 355 L CA 0.435 55.348 54.840 0.121 0.000 0.911 355 L CB 0.105 42.281 42.059 0.194 0.000 1.077 355 L HN 0.515 nan 8.230 nan 0.000 0.438 356 G N -0.390 108.447 108.800 0.062 0.000 2.157 356 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.239 356 G HA3 -0.211 3.745 3.960 -0.007 0.000 0.239 356 G C 0.542 175.469 174.900 0.044 0.000 0.982 356 G CA -0.176 44.951 45.100 0.044 0.000 0.650 356 G HN 0.512 nan 8.290 nan 0.000 0.527 357 G N -1.145 107.690 108.800 0.059 0.000 2.535 357 G HA2 0.574 4.530 3.960 -0.007 0.000 0.282 357 G HA3 0.574 4.530 3.960 -0.007 0.000 0.282 357 G C -0.196 174.725 174.900 0.034 0.000 1.350 357 G CA 0.554 45.686 45.100 0.053 0.000 1.039 357 G HN 0.731 nan 8.290 nan 0.000 0.509 358 T N -0.550 114.021 114.554 0.028 0.000 3.038 358 T HA 0.380 4.726 4.350 -0.007 0.000 0.344 358 T C -1.211 173.495 174.700 0.009 0.000 1.054 358 T CA -0.288 61.819 62.100 0.012 0.000 1.092 358 T CB 0.460 69.331 68.868 0.004 0.000 1.031 358 T HN 0.652 nan 8.240 nan 0.000 0.482 359 C N 4.605 123.910 119.300 0.008 0.000 2.431 359 C HA 0.825 5.281 4.460 -0.007 0.000 0.321 359 C C -0.432 174.552 174.990 -0.009 0.000 1.202 359 C CA -0.805 58.215 59.018 0.003 0.000 1.398 359 C CB 0.443 28.193 27.740 0.017 0.000 2.047 359 C HN 0.992 nan 8.230 nan 0.000 0.465 360 R N 4.069 124.560 120.500 -0.015 0.000 2.393 360 R HA 0.469 4.805 4.340 -0.007 0.000 0.315 360 R C -0.361 175.926 176.300 -0.022 0.000 0.952 360 R CA -0.127 55.962 56.100 -0.018 0.000 0.842 360 R CB 0.984 31.275 30.300 -0.015 0.000 1.163 360 R HN 0.886 nan 8.270 nan 0.000 0.450 361 E N 2.614 122.798 120.200 -0.027 0.000 2.384 361 E HA 0.075 4.421 4.350 -0.007 0.000 0.266 361 E C -0.664 175.921 176.600 -0.024 0.000 1.012 361 E CA 0.028 56.410 56.400 -0.031 0.000 0.901 361 E CB 0.730 30.406 29.700 -0.040 0.000 0.967 361 E HN 0.723 nan 8.360 nan 0.000 0.435 362 T N 0.804 115.344 114.554 -0.022 0.000 2.940 362 T HA 0.392 4.738 4.350 -0.007 0.000 0.288 362 T C -1.986 172.705 174.700 -0.014 0.000 1.045 362 T CA -1.714 60.377 62.100 -0.015 0.000 1.018 362 T CB 1.372 70.234 68.868 -0.010 0.000 1.151 362 T HN 0.228 nan 8.240 nan 0.000 0.529 363 P HA 0.011 nan 4.420 nan 0.000 0.221 363 P C 0.479 177.776 177.300 -0.004 0.000 1.145 363 P CA 1.118 64.215 63.100 -0.005 0.000 0.795 363 P CB 0.024 31.725 31.700 0.002 0.000 0.775 364 D N -2.537 117.862 120.400 -0.001 0.000 2.673 364 D HA 0.313 4.949 4.640 -0.007 0.000 0.278 364 D C 0.677 176.975 176.300 -0.003 0.000 1.393 364 D CA -0.371 53.631 54.000 0.004 0.000 0.805 364 D CB 0.264 41.075 40.800 0.020 0.000 1.110 364 D HN 0.148 nan 8.370 nan 0.000 0.476 365 G N -0.159 108.630 108.800 -0.017 0.000 2.513 365 G HA2 0.329 4.285 3.960 -0.007 0.000 0.182 365 G HA3 0.329 4.285 3.960 -0.007 0.000 0.182 365 G C -2.020 172.866 174.900 -0.023 0.000 1.190 365 G CA -0.737 44.352 45.100 -0.019 0.000 0.987 365 G HN 0.151 nan 8.290 nan 0.000 0.479 366 L N -0.062 121.151 121.223 -0.015 0.000 2.445 366 L HA 0.710 5.046 4.340 -0.007 0.000 0.262 366 L C -0.737 176.119 176.870 -0.023 0.000 0.974 366 L CA -1.120 53.708 54.840 -0.019 0.000 0.822 366 L CB 2.489 44.539 42.059 -0.014 0.000 1.339 366 L HN 0.407 nan 8.230 nan 0.000 0.409 367 V N 3.600 123.499 119.914 -0.026 0.000 2.409 367 V HA 0.512 4.628 4.120 -0.007 0.000 0.291 367 V C -0.218 175.853 176.094 -0.038 0.000 1.020 367 V CA -0.277 62.001 62.300 -0.037 0.000 0.848 367 V CB 1.879 33.684 31.823 -0.030 0.000 0.990 367 V HN 0.484 nan 8.190 nan 0.000 0.430 368 I N 3.666 124.200 120.570 -0.060 0.000 2.418 368 I HA 0.418 4.584 4.170 -0.007 0.000 0.287 368 I C -0.055 176.026 176.117 -0.059 0.000 1.008 368 I CA -0.173 61.099 61.300 -0.048 0.000 1.104 368 I CB 2.244 40.218 38.000 -0.044 0.000 1.264 368 I HN 0.495 nan 8.210 nan 0.000 0.438 369 T N 5.463 119.998 114.554 -0.033 0.000 2.758 369 T HA 0.481 4.826 4.350 -0.007 0.000 0.285 369 T C 0.185 174.873 174.700 -0.020 0.000 0.981 369 T CA -0.478 61.603 62.100 -0.032 0.000 0.965 369 T CB 1.325 70.180 68.868 -0.022 0.000 0.927 369 T HN 0.645 nan 8.240 nan 0.000 0.448 370 A N 3.440 126.244 122.820 -0.028 0.000 2.491 370 A HA 0.540 4.856 4.320 -0.007 0.000 0.261 370 A C 0.639 178.215 177.584 -0.013 0.000 1.101 370 A CA -0.054 51.971 52.037 -0.018 0.000 0.772 370 A CB 0.049 19.027 19.000 -0.037 0.000 1.043 370 A HN 0.720 nan 8.150 nan 0.000 0.501 371 T N 2.938 117.492 114.554 0.000 0.000 2.896 371 T HA 0.625 4.970 4.350 -0.007 0.000 0.297 371 T C -2.964 171.741 174.700 0.009 0.000 1.108 371 T CA -1.436 60.666 62.100 0.002 0.000 1.004 371 T CB 1.206 70.078 68.868 0.006 0.000 1.159 371 T HN 0.374 nan 8.240 nan 0.000 0.499 372 P HA 0.269 nan 4.420 nan 0.000 0.264 372 P C -0.779 176.535 177.300 0.023 0.000 1.193 372 P CA 0.010 63.117 63.100 0.011 0.000 0.763 372 P CB 0.306 32.010 31.700 0.007 0.000 0.810 373 L N 3.594 124.835 121.223 0.031 0.000 2.365 373 L HA 0.696 5.032 4.340 -0.007 0.000 0.267 373 L C 0.763 177.658 176.870 0.042 0.000 1.033 373 L CA -0.902 53.965 54.840 0.046 0.000 0.802 373 L CB 1.375 43.470 42.059 0.061 0.000 1.267 373 L HN 0.411 nan 8.230 nan 0.000 0.457 374 R N -0.313 120.218 120.500 0.053 0.000 2.855 374 R HA 0.696 5.032 4.340 -0.007 0.000 0.266 374 R C -2.937 173.397 176.300 0.056 0.000 1.034 374 R CA -2.075 54.051 56.100 0.045 0.000 0.944 374 R CB -0.555 29.766 30.300 0.036 0.000 1.219 374 R HN 0.111 nan 8.270 nan 0.000 0.474 375 P HA 0.382 nan 4.420 nan 0.000 0.268 375 P C -0.461 176.880 177.300 0.068 0.000 1.208 375 P CA 0.116 63.248 63.100 0.053 0.000 0.777 375 P CB 0.772 32.493 31.700 0.035 0.000 0.875 376 G N 0.566 109.419 108.800 0.088 0.000 2.428 376 G HA2 0.452 4.408 3.960 -0.007 0.000 0.304 376 G HA3 0.452 4.408 3.960 -0.007 0.000 0.304 376 G C -1.986 172.987 174.900 0.121 0.000 1.303 376 G CA -0.537 44.620 45.100 0.096 0.000 0.825 376 G HN 0.324 nan 8.290 nan 0.000 0.484 377 I N 1.188 121.826 120.570 0.113 0.000 2.354 377 I HA 0.278 4.444 4.170 -0.007 0.000 0.286 377 I C -0.592 175.622 176.117 0.163 0.000 1.007 377 I CA -0.929 60.447 61.300 0.126 0.000 1.167 377 I CB 1.230 39.268 38.000 0.064 0.000 1.320 377 I HN 0.574 nan 8.210 nan 0.000 0.458 378 W N 7.986 129.315 121.300 0.048 0.000 2.358 378 W HA 0.323 4.979 4.660 -0.007 0.000 0.307 378 W C -0.369 176.179 176.519 0.048 0.000 1.203 378 W CA -0.566 56.815 57.345 0.059 0.000 1.279 378 W CB 0.858 30.359 29.460 0.069 0.000 1.264 378 W HN 0.531 nan 8.180 nan 0.000 0.474 379 R N 3.975 124.340 120.500 -0.225 0.000 2.404 379 R HA 0.388 4.724 4.340 -0.007 0.000 0.291 379 R C 0.889 177.146 176.300 -0.071 0.000 1.025 379 R CA 0.009 55.996 56.100 -0.188 0.000 0.991 379 R CB 1.418 31.476 30.300 -0.403 0.000 1.053 379 R HN 0.573 nan 8.270 nan 0.000 0.479 380 A N 2.402 125.232 122.820 0.017 0.000 2.147 380 A HA 0.023 4.338 4.320 -0.007 0.000 0.211 380 A C -0.097 177.638 177.584 0.251 0.000 1.160 380 A CA 0.080 52.214 52.037 0.162 0.000 0.781 380 A CB -0.237 18.815 19.000 0.087 0.000 0.842 380 A HN 0.895 nan 8.150 nan 0.000 0.475 381 Y N -2.426 117.844 120.300 -0.049 0.000 3.721 381 Y HA -0.233 4.313 4.550 -0.007 0.000 0.218 381 Y C 1.189 177.074 175.900 -0.025 0.000 1.188 381 Y CA 0.612 58.686 58.100 -0.044 0.000 1.607 381 Y CB -2.499 35.927 38.460 -0.056 0.000 1.496 381 Y HN 1.285 nan 8.280 nan 0.000 0.626 382 A N -0.789 122.073 122.820 0.069 0.000 2.832 382 A HA -0.232 4.084 4.320 -0.007 0.000 0.280 382 A C 0.220 177.840 177.584 0.059 0.000 1.464 382 A CA 1.311 53.370 52.037 0.037 0.000 0.804 382 A CB -1.095 17.915 19.000 0.016 0.000 1.020 382 A HN 0.633 nan 8.150 nan 0.000 0.563 383 D N -1.089 119.371 120.400 0.099 0.000 2.462 383 D HA 0.447 5.083 4.640 -0.007 0.000 0.245 383 D C 1.204 177.585 176.300 0.136 0.000 1.122 383 D CA 0.032 54.117 54.000 0.143 0.000 0.864 383 D CB 0.196 41.066 40.800 0.116 0.000 1.098 383 D HN 0.647 nan 8.370 nan 0.000 0.541 384 H N 2.724 121.736 119.070 -0.096 0.000 2.362 384 H HA -0.162 4.390 4.556 -0.006 0.000 0.294 384 H C 1.167 176.372 175.328 -0.205 0.000 1.113 384 H CA 1.203 57.149 56.048 -0.170 0.000 1.253 384 H CB 0.196 29.863 29.762 -0.157 0.000 1.363 384 H HN 0.218 nan 8.280 nan 0.000 0.494 385 R N -0.141 120.085 120.500 -0.456 0.000 2.161 385 R HA 0.028 4.364 4.340 -0.007 0.000 0.213 385 R C 2.257 178.457 176.300 -0.166 0.000 1.055 385 R CA 0.872 56.726 56.100 -0.410 0.000 0.996 385 R CB 0.037 30.068 30.300 -0.449 0.000 0.901 385 R HN 0.372 nan 8.270 nan 0.000 0.456 386 M N 0.621 120.206 119.600 -0.026 0.000 2.117 386 M HA -0.078 4.398 4.480 -0.007 0.000 0.262 386 M C 2.464 178.904 176.300 0.233 0.000 1.065 386 M CA 1.550 56.962 55.300 0.186 0.000 1.114 386 M CB -0.970 31.756 32.600 0.210 0.000 1.361 386 M HN 0.141 nan 8.290 nan 0.000 0.408 387 A N 0.205 123.039 122.820 0.024 0.000 1.908 387 A HA -0.168 4.148 4.320 -0.007 0.000 0.218 387 A C 2.216 179.574 177.584 -0.378 0.000 1.181 387 A CA 1.743 53.718 52.037 -0.105 0.000 0.627 387 A CB -0.614 18.251 19.000 -0.224 0.000 0.818 387 A HN 0.519 nan 8.150 nan 0.000 0.445 388 M N -0.668 118.591 119.600 -0.569 0.000 2.319 388 M HA -0.059 4.417 4.480 -0.007 0.000 0.265 388 M C 2.421 178.413 176.300 -0.513 0.000 1.068 388 M CA 1.063 55.886 55.300 -0.795 0.000 1.118 388 M CB -0.373 31.724 32.600 -0.839 0.000 1.395 388 M HN 0.478 nan 8.290 nan 0.000 0.435 389 A N 0.748 123.369 122.820 -0.333 0.000 1.972 389 A HA -0.019 4.297 4.320 -0.007 0.000 0.219 389 A C 2.353 179.519 177.584 -0.698 0.000 1.169 389 A CA 1.804 53.647 52.037 -0.323 0.000 0.635 389 A CB -1.346 17.617 19.000 -0.062 0.000 0.810 389 A HN 0.531 nan 8.150 nan 0.000 0.446 390 G N -0.546 107.679 108.800 -0.959 0.000 2.408 390 G HA2 0.047 4.002 3.960 -0.007 0.000 0.217 390 G HA3 0.047 4.002 3.960 -0.007 0.000 0.217 390 G C 1.699 176.289 174.900 -0.517 0.000 1.150 390 G CA 1.261 45.545 45.100 -1.359 0.000 0.776 390 G HN 0.748 nan 8.290 nan 0.000 0.542 391 A N 0.846 123.468 122.820 -0.331 0.000 1.902 391 A HA 0.032 4.348 4.320 -0.007 0.000 0.217 391 A C 2.378 179.941 177.584 -0.035 0.000 1.181 391 A CA 1.281 53.225 52.037 -0.154 0.000 0.623 391 A CB -0.343 18.287 19.000 -0.616 0.000 0.818 391 A HN 0.379 nan 8.150 nan 0.000 0.443 392 I N 0.033 120.523 120.570 -0.134 0.000 2.179 392 I HA -0.234 3.932 4.170 -0.007 0.000 0.242 392 I C 2.175 178.306 176.117 0.025 0.000 1.088 392 I CA 0.866 62.219 61.300 0.089 0.000 1.357 392 I CB -0.302 37.717 38.000 0.030 0.000 1.051 392 I HN 0.247 nan 8.210 nan 0.000 0.409 393 I N 1.029 121.502 120.570 -0.161 0.000 2.208 393 I HA -0.224 3.941 4.170 -0.007 0.000 0.245 393 I C 2.659 178.751 176.117 -0.042 0.000 1.097 393 I CA 1.945 63.163 61.300 -0.136 0.000 1.363 393 I CB -1.954 35.849 38.000 -0.329 0.000 1.051 393 I HN 0.278 nan 8.210 nan 0.000 0.413 394 G N 0.733 109.510 108.800 -0.038 0.000 2.498 394 G HA2 -0.144 3.812 3.960 -0.007 0.000 0.219 394 G HA3 -0.144 3.812 3.960 -0.007 0.000 0.219 394 G C 1.827 176.767 174.900 0.066 0.000 1.119 394 G CA 0.108 45.217 45.100 0.016 0.000 0.766 394 G HN 0.328 nan 8.290 nan 0.000 0.552 395 L N -0.444 120.857 121.223 0.129 0.000 2.127 395 L HA -0.036 4.300 4.340 -0.007 0.000 0.211 395 L C 2.611 179.518 176.870 0.062 0.000 1.089 395 L CA 0.993 55.906 54.840 0.121 0.000 0.757 395 L CB -0.131 42.019 42.059 0.153 0.000 0.899 395 L HN 0.111 nan 8.230 nan 0.000 0.434 396 R N -1.053 119.479 120.500 0.053 0.000 2.476 396 R HA 0.302 4.637 4.340 -0.007 0.000 0.276 396 R C -0.591 175.724 176.300 0.025 0.000 0.941 396 R CA 0.175 56.297 56.100 0.037 0.000 1.088 396 R CB 1.156 31.483 30.300 0.043 0.000 1.216 396 R HN 0.053 nan 8.270 nan 0.000 0.533 397 V N 1.359 121.286 119.914 0.023 0.000 2.447 397 V HA 0.440 4.556 4.120 -0.007 0.000 0.292 397 V C 0.094 176.197 176.094 0.015 0.000 1.021 397 V CA -1.379 60.933 62.300 0.021 0.000 0.850 397 V CB 1.506 33.346 31.823 0.028 0.000 1.005 397 V HN 0.179 nan 8.190 nan 0.000 0.426 398 A N 3.238 126.064 122.820 0.010 0.000 2.483 398 A HA 0.572 4.888 4.320 -0.007 0.000 0.238 398 A C 1.451 179.039 177.584 0.006 0.000 1.070 398 A CA 0.788 52.826 52.037 0.002 0.000 0.770 398 A CB -0.040 18.959 19.000 -0.002 0.000 1.008 398 A HN 2.343 nan 8.150 nan 0.000 0.497 399 G N 0.181 108.979 108.800 -0.003 0.000 2.136 399 G HA2 -0.109 3.847 3.960 -0.007 0.000 0.242 399 G HA3 -0.109 3.847 3.960 -0.007 0.000 0.242 399 G C 0.027 174.941 174.900 0.024 0.000 0.989 399 G CA 0.071 45.174 45.100 0.006 0.000 0.682 399 G HN 1.374 nan 8.290 nan 0.000 0.522 400 V N 0.686 120.614 119.914 0.023 0.000 2.432 400 V HA 0.561 4.677 4.120 -0.007 0.000 0.275 400 V C 0.268 176.393 176.094 0.052 0.000 1.043 400 V CA -0.257 62.079 62.300 0.060 0.000 0.925 400 V CB 1.509 33.364 31.823 0.054 0.000 0.985 400 V HN 0.406 nan 8.190 nan 0.000 0.466 401 E N 3.321 123.586 120.200 0.109 0.000 2.234 401 E HA 0.531 4.877 4.350 -0.007 0.000 0.266 401 E C -1.350 175.393 176.600 0.237 0.000 0.877 401 E CA -0.772 55.702 56.400 0.123 0.000 0.758 401 E CB 2.662 32.412 29.700 0.085 0.000 1.170 401 E HN 0.411 nan 8.360 nan 0.000 0.415 402 V N 3.493 123.612 119.914 0.341 0.000 2.498 402 V HA -0.034 4.082 4.120 -0.007 0.000 0.279 402 V C 0.999 177.245 176.094 0.254 0.000 1.048 402 V CA -0.123 62.389 62.300 0.353 0.000 0.967 402 V CB 1.089 33.141 31.823 0.382 0.000 0.988 402 V HN 0.824 nan 8.190 nan 0.000 0.473 403 D N 2.903 123.407 120.400 0.173 0.000 2.117 403 D HA -0.131 4.505 4.640 -0.007 0.000 0.198 403 D C 0.669 177.019 176.300 0.084 0.000 0.982 403 D CA 1.034 55.093 54.000 0.098 0.000 0.828 403 D CB 0.096 40.912 40.800 0.025 0.000 0.967 403 D HN 0.570 nan 8.370 nan 0.000 0.464 404 D N -0.899 119.540 120.400 0.065 0.000 2.443 404 D HA 0.119 4.755 4.640 -0.007 0.000 0.281 404 D C 0.385 176.673 176.300 -0.020 0.000 1.210 404 D CA -0.644 53.369 54.000 0.022 0.000 0.875 404 D CB 0.101 40.899 40.800 -0.004 0.000 1.125 404 D HN -0.029 nan 8.370 nan 0.000 0.503 405 I N 2.137 122.680 120.570 -0.046 0.000 2.614 405 I HA 0.035 4.201 4.170 -0.007 0.000 0.258 405 I C 1.938 177.937 176.117 -0.196 0.000 1.189 405 I CA 0.979 62.135 61.300 -0.240 0.000 1.462 405 I CB -0.044 37.622 38.000 -0.557 0.000 1.092 405 I HN 0.384 nan 8.210 nan 0.000 0.442 406 A N 0.316 123.078 122.820 -0.097 0.000 2.225 406 A HA 0.002 4.318 4.320 -0.007 0.000 0.215 406 A C 2.423 179.967 177.584 -0.067 0.000 1.164 406 A CA 1.190 53.188 52.037 -0.066 0.000 0.710 406 A CB -1.000 17.982 19.000 -0.030 0.000 0.780 406 A HN 0.481 nan 8.150 nan 0.000 0.473 407 A N 0.078 122.855 122.820 -0.072 0.000 2.070 407 A HA -0.103 4.213 4.320 -0.007 0.000 0.220 407 A C 2.279 179.824 177.584 -0.065 0.000 1.159 407 A CA 2.109 54.112 52.037 -0.056 0.000 0.656 407 A CB -1.292 17.691 19.000 -0.028 0.000 0.800 407 A HN 0.795 nan 8.150 nan 0.000 0.453 408 T N -1.962 112.522 114.554 -0.117 0.000 3.025 408 T HA -0.144 4.201 4.350 -0.007 0.000 0.270 408 T C 1.648 176.320 174.700 -0.048 0.000 1.126 408 T CA 1.801 63.831 62.100 -0.115 0.000 1.105 408 T CB -1.292 67.430 68.868 -0.244 0.000 0.884 408 T HN 0.672 nan 8.240 nan 0.000 0.522 409 T N -0.475 114.047 114.554 -0.052 0.000 3.025 409 T HA -0.017 4.329 4.350 -0.007 0.000 0.270 409 T C 1.731 176.381 174.700 -0.082 0.000 1.126 409 T CA 1.064 63.139 62.100 -0.042 0.000 1.105 409 T CB -0.440 68.405 68.868 -0.038 0.000 0.884 409 T HN 0.505 nan 8.240 nan 0.000 0.522 410 K N 1.564 121.870 120.400 -0.157 0.000 2.074 410 K HA -0.148 4.168 4.320 -0.007 0.000 0.209 410 K C 1.925 178.379 176.600 -0.244 0.000 1.048 410 K CA 1.919 58.030 56.287 -0.293 0.000 0.926 410 K CB -0.158 31.968 32.500 -0.624 0.000 0.713 410 K HN 0.654 nan 8.250 nan 0.000 0.444 411 T N -3.082 111.394 114.554 -0.130 0.000 3.130 411 T HA 0.205 4.551 4.350 -0.007 0.000 0.288 411 T C -0.110 174.633 174.700 0.070 0.000 0.936 411 T CA -0.597 61.501 62.100 -0.003 0.000 0.897 411 T CB 0.684 69.618 68.868 0.109 0.000 1.178 411 T HN 0.055 nan 8.240 nan 0.000 0.543 412 L N 1.449 122.717 121.223 0.075 0.000 2.400 412 L HA 0.474 4.810 4.340 -0.007 0.000 0.261 412 L C -2.585 174.363 176.870 0.131 0.000 1.554 412 L CA -1.533 53.390 54.840 0.139 0.000 0.774 412 L CB 1.630 43.822 42.059 0.221 0.000 0.964 412 L HN -0.250 nan 8.230 nan 0.000 0.524 413 P HA -0.115 nan 4.420 nan 0.000 0.218 413 P C 0.530 177.888 177.300 0.097 0.000 1.148 413 P CA 1.299 64.437 63.100 0.063 0.000 0.822 413 P CB 0.337 32.060 31.700 0.038 0.000 0.784 414 E N -2.158 118.116 120.200 0.123 0.000 2.445 414 E HA -0.002 4.344 4.350 -0.007 0.000 0.189 414 E C 1.199 177.911 176.600 0.186 0.000 1.069 414 E CA -0.326 56.149 56.400 0.126 0.000 0.871 414 E CB -0.633 29.126 29.700 0.098 0.000 0.991 414 E HN 0.211 nan 8.360 nan 0.000 0.481 415 F N 2.609 122.612 119.950 0.089 0.000 2.091 415 F HA -0.162 4.361 4.527 -0.007 0.000 0.299 415 F C -1.045 174.833 175.800 0.130 0.000 1.103 415 F CA 1.509 59.591 58.000 0.136 0.000 1.228 415 F CB -0.824 38.156 39.000 -0.033 0.000 0.984 415 F HN 0.068 nan 8.300 nan 0.000 0.477 416 P HA -0.212 nan 4.420 nan 0.000 0.215 416 P C 1.437 178.824 177.300 0.146 0.000 1.153 416 P CA 2.086 65.201 63.100 0.025 0.000 0.853 416 P CB -0.288 31.452 31.700 0.067 0.000 0.788 417 R N 0.093 120.662 120.500 0.116 0.000 2.066 417 R HA -0.064 4.272 4.340 -0.007 0.000 0.232 417 R C 2.174 178.536 176.300 0.104 0.000 1.131 417 R CA 1.307 57.476 56.100 0.114 0.000 0.955 417 R CB -0.981 29.372 30.300 0.088 0.000 0.851 417 R HN 0.141 nan 8.270 nan 0.000 0.432 418 L N -0.370 120.914 121.223 0.102 0.000 2.083 418 L HA -0.206 4.129 4.340 -0.007 0.000 0.209 418 L C 2.566 179.564 176.870 0.213 0.000 1.083 418 L CA 1.332 56.248 54.840 0.126 0.000 0.752 418 L CB -0.657 41.499 42.059 0.161 0.000 0.899 418 L HN 0.443 nan 8.230 nan 0.000 0.433 419 W N 0.955 122.191 121.300 -0.107 0.000 2.379 419 W HA -0.185 4.471 4.660 -0.006 0.000 0.307 419 W C 2.511 179.035 176.519 0.009 0.000 1.200 419 W CA 1.534 58.790 57.345 -0.149 0.000 1.297 419 W CB 0.017 29.129 29.460 -0.580 0.000 1.140 419 W HN 0.177 nan 8.180 nan 0.000 0.507 420 A N 0.662 123.623 122.820 0.234 0.000 1.908 420 A HA -0.309 4.007 4.320 -0.007 0.000 0.218 420 A C 1.884 179.485 177.584 0.027 0.000 1.181 420 A CA 2.167 54.285 52.037 0.134 0.000 0.627 420 A CB -1.196 17.905 19.000 0.169 0.000 0.818 420 A HN 0.540 nan 8.150 nan 0.000 0.445 421 E N -0.726 119.492 120.200 0.031 0.000 2.110 421 E HA -0.226 4.120 4.350 -0.007 0.000 0.193 421 E C 2.007 178.578 176.600 -0.048 0.000 0.988 421 E CA 1.378 57.775 56.400 -0.005 0.000 0.804 421 E CB -0.254 29.449 29.700 0.006 0.000 0.745 421 E HN 0.657 nan 8.360 nan 0.000 0.458 422 M N 0.428 119.980 119.600 -0.079 0.000 2.086 422 M HA -0.139 4.337 4.480 -0.007 0.000 0.261 422 M C 1.972 178.155 176.300 -0.195 0.000 1.067 422 M CA 1.476 56.692 55.300 -0.140 0.000 1.116 422 M CB 0.124 32.618 32.600 -0.177 0.000 1.348 422 M HN 0.131 nan 8.290 nan 0.000 0.407 423 V N 0.567 120.325 119.914 -0.261 0.000 2.591 423 V HA 0.120 4.236 4.120 -0.007 0.000 0.249 423 V C 1.275 177.298 176.094 -0.117 0.000 1.053 423 V CA 1.024 63.188 62.300 -0.226 0.000 1.068 423 V CB -1.200 30.473 31.823 -0.250 0.000 0.689 423 V HN 0.837 nan 8.190 nan 0.000 0.462 424 G N 0.000 108.749 108.800 -0.085 0.000 5.446 424 G HA2 0.000 3.956 3.960 -0.007 0.000 0.244 424 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 424 G CA 0.000 45.069 45.100 -0.051 0.000 0.502 424 G HN 0.000 nan 8.290 nan 0.000 0.925