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 2yxz_1_D DATA FIRST_RESID 2 DATA SEQUENCE RLKDLGERAL LARLAPLGYP PEAPLPPGDD AGGVWAEGRA WLLKTDGFLY DATA SEQUENCE REVALKGMGP FEVGFRGVAA TASDLLAKMG RPLGFTLGLF LPEDLEEGFV DATA SEQUENCE LELVRGAAEA AKRLGAFLLG GDTNRGVEVA LTVSGYALAE APLPRKALPG DATA SEQUENCE DLLYLAGDRW GRTGAAIRAH YEGRSLEGFP KIREAAFYPL PRLELLALSG DATA SEQUENCE LLRGSLDSSD GLAETLWQLA DLGVGVEVEA LPLYPDVLAF AGSEEAALEL DATA SEQUENCE VLYGGEEFEA VLVVPQEGAA AVEARAKAKG LPLFRAGRVV AGEGVYLRGA DATA SEQUENCE PLPR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.292 176.300 -0.013 0.000 0.893 2 R CA 0.000 56.093 56.100 -0.011 0.000 0.921 2 R CB 0.000 30.293 30.300 -0.012 0.000 0.687 3 L N 1.185 122.399 121.223 -0.014 0.000 2.056 3 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 3 L C 3.243 180.103 176.870 -0.016 0.000 1.078 3 L CA 2.129 56.960 54.840 -0.015 0.000 0.749 3 L CB -0.621 41.429 42.059 -0.016 0.000 0.901 3 L HN 1.027 nan 8.230 nan 0.000 0.433 4 K N -0.250 120.140 120.400 -0.016 0.000 2.520 4 K HA -0.193 4.127 4.320 -0.000 0.000 0.197 4 K C 1.274 177.863 176.600 -0.019 0.000 1.044 4 K CA 1.936 58.213 56.287 -0.017 0.000 0.938 4 K CB -0.593 31.898 32.500 -0.015 0.000 0.767 4 K HN 0.509 nan 8.250 nan 0.000 0.481 5 D N -1.690 118.699 120.400 -0.018 0.000 2.457 5 D HA 0.097 4.737 4.640 -0.000 0.000 0.254 5 D C 1.791 178.078 176.300 -0.021 0.000 1.097 5 D CA 0.101 54.089 54.000 -0.020 0.000 0.870 5 D CB 0.108 40.898 40.800 -0.018 0.000 1.253 5 D HN 0.290 nan 8.370 nan 0.000 0.500 6 L N 0.981 122.192 121.223 -0.019 0.000 1.988 6 L HA 0.093 4.433 4.340 -0.000 0.000 0.207 6 L C 0.690 177.547 176.870 -0.022 0.000 1.071 6 L CA 1.867 56.696 54.840 -0.019 0.000 0.744 6 L CB -0.144 41.906 42.059 -0.016 0.000 0.893 6 L HN 0.211 nan 8.230 nan 0.000 0.433 7 G N -2.976 105.810 108.800 -0.022 0.000 2.770 7 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.686 7 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.686 7 G C 0.071 174.958 174.900 -0.022 0.000 1.180 7 G CA 0.059 45.144 45.100 -0.025 0.000 0.767 7 G HN 0.380 nan 8.290 nan 0.000 0.646 8 E N 0.406 120.592 120.200 -0.022 0.000 2.085 8 E HA -0.007 4.343 4.350 -0.000 0.000 0.194 8 E C 2.879 179.468 176.600 -0.019 0.000 0.994 8 E CA 3.296 59.684 56.400 -0.020 0.000 0.801 8 E CB -0.809 28.878 29.700 -0.021 0.000 0.743 8 E HN 2.116 nan 8.360 nan 0.000 0.453 9 R N 0.301 120.788 120.500 -0.020 0.000 2.082 9 R HA 0.255 4.595 4.340 -0.000 0.000 0.234 9 R C 2.886 179.177 176.300 -0.015 0.000 1.136 9 R CA 2.499 58.588 56.100 -0.017 0.000 0.935 9 R CB -1.476 28.812 30.300 -0.020 0.000 0.842 9 R HN 0.935 nan 8.270 nan 0.000 0.430 10 A N 0.333 123.143 122.820 -0.017 0.000 1.933 10 A HA 0.090 4.410 4.320 -0.000 0.000 0.218 10 A C 2.406 179.982 177.584 -0.013 0.000 1.175 10 A CA 1.589 53.618 52.037 -0.015 0.000 0.628 10 A CB -0.410 18.580 19.000 -0.016 0.000 0.814 10 A HN 0.517 nan 8.150 nan 0.000 0.444 11 L N -0.040 121.175 121.223 -0.014 0.000 1.994 11 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 11 L C 2.851 179.714 176.870 -0.011 0.000 1.071 11 L CA 2.386 57.219 54.840 -0.011 0.000 0.745 11 L CB -0.942 41.110 42.059 -0.013 0.000 0.892 11 L HN 0.378 nan 8.230 nan 0.000 0.431 12 L N -1.152 120.063 121.223 -0.013 0.000 2.079 12 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 12 L C 2.755 179.615 176.870 -0.017 0.000 1.081 12 L CA 2.507 57.338 54.840 -0.014 0.000 0.752 12 L CB -2.482 39.568 42.059 -0.016 0.000 0.896 12 L HN 0.548 nan 8.230 nan 0.000 0.433 13 A N -0.388 122.422 122.820 -0.016 0.000 1.933 13 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 13 A C 2.712 180.287 177.584 -0.015 0.000 1.175 13 A CA 2.965 54.991 52.037 -0.017 0.000 0.628 13 A CB -0.761 18.232 19.000 -0.011 0.000 0.814 13 A HN 0.940 nan 8.150 nan 0.000 0.444 14 R N -0.146 120.348 120.500 -0.010 0.000 2.062 14 R HA 0.260 4.600 4.340 -0.000 0.000 0.226 14 R C 2.133 178.433 176.300 -0.001 0.000 1.125 14 R CA 1.292 57.389 56.100 -0.004 0.000 0.966 14 R CB -1.379 28.920 30.300 -0.002 0.000 0.861 14 R HN 0.548 nan 8.270 nan 0.000 0.433 15 L N 0.299 121.522 121.223 -0.001 0.000 2.056 15 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 15 L C 3.200 180.075 176.870 0.008 0.000 1.078 15 L CA 1.128 55.972 54.840 0.007 0.000 0.749 15 L CB -0.811 41.252 42.059 0.007 0.000 0.901 15 L HN 0.477 nan 8.230 nan 0.000 0.433 16 A N 1.072 123.884 122.820 -0.013 0.000 1.944 16 A HA -0.225 4.095 4.320 -0.000 0.000 0.222 16 A C 0.229 177.780 177.584 -0.054 0.000 1.237 16 A CA 2.673 54.683 52.037 -0.046 0.000 0.668 16 A CB -2.069 16.882 19.000 -0.082 0.000 0.830 16 A HN 0.413 nan 8.150 nan 0.000 0.471 17 P HA 0.178 nan 4.420 nan 0.000 0.231 17 P C 0.599 177.956 177.300 0.094 0.000 1.168 17 P CA 1.071 64.180 63.100 0.015 0.000 0.779 17 P CB -0.673 31.031 31.700 0.006 0.000 0.844 18 L N 0.994 122.260 121.223 0.072 0.000 2.584 18 L HA 0.483 4.822 4.340 -0.000 0.000 0.272 18 L C 1.763 178.695 176.870 0.104 0.000 1.195 18 L CA 0.602 55.488 54.840 0.075 0.000 0.920 18 L CB -1.937 40.153 42.059 0.050 0.000 1.173 18 L HN 0.344 nan 8.230 nan 0.000 0.489 19 G N 1.206 110.060 108.800 0.089 0.000 2.196 19 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.268 19 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.268 19 G C 0.202 175.152 174.900 0.083 0.000 0.975 19 G CA 0.624 45.767 45.100 0.072 0.000 0.648 19 G HN 1.926 nan 8.290 nan 0.000 0.538 20 Y N 2.844 123.153 120.300 0.015 0.000 2.411 20 Y HA 0.457 5.007 4.550 -0.000 0.000 0.333 20 Y C -1.214 174.697 175.900 0.019 0.000 1.186 20 Y CA -1.443 56.665 58.100 0.014 0.000 1.381 20 Y CB 0.823 39.291 38.460 0.013 0.000 1.273 20 Y HN 0.122 nan 8.280 nan 0.000 0.546 21 P HA 0.060 nan 4.420 nan 0.000 0.271 21 P C -2.313 174.981 177.300 -0.009 0.000 1.233 21 P CA -1.132 61.838 63.100 -0.217 0.000 0.764 21 P CB 1.075 32.580 31.700 -0.325 0.000 0.825 22 P HA -0.097 nan 4.420 nan 0.000 0.220 22 P C 0.453 177.827 177.300 0.124 0.000 1.148 22 P CA 1.566 64.731 63.100 0.107 0.000 0.803 22 P CB 0.180 31.927 31.700 0.079 0.000 0.782 23 E N -0.014 120.257 120.200 0.119 0.000 2.267 23 E HA 0.659 5.009 4.350 -0.000 0.000 0.248 23 E C -0.601 176.133 176.600 0.224 0.000 0.899 23 E CA -0.639 55.877 56.400 0.194 0.000 0.764 23 E CB 1.322 31.136 29.700 0.189 0.000 1.227 23 E HN 0.380 nan 8.360 nan 0.000 0.421 24 A N 2.578 125.516 122.820 0.196 0.000 2.566 24 A HA 0.908 5.228 4.320 -0.000 0.000 0.292 24 A C -2.203 175.297 177.584 -0.139 0.000 1.112 24 A CA -1.192 50.794 52.037 -0.086 0.000 0.707 24 A CB 1.805 20.711 19.000 -0.157 0.000 1.302 24 A HN 0.343 nan 8.150 nan 0.000 0.409 25 P HA 0.095 nan 4.420 nan 0.000 0.234 25 P C -0.214 176.990 177.300 -0.159 0.000 1.167 25 P CA 0.917 63.623 63.100 -0.656 0.000 0.763 25 P CB 0.102 31.042 31.700 -1.267 0.000 0.835 26 L N 0.221 121.415 121.223 -0.049 0.000 2.434 26 L HA 0.483 4.823 4.340 -0.000 0.000 0.260 26 L C -2.605 174.369 176.870 0.174 0.000 0.983 26 L CA -2.537 52.342 54.840 0.065 0.000 0.820 26 L CB 3.111 45.206 42.059 0.060 0.000 1.361 26 L HN -0.294 nan 8.230 nan 0.000 0.410 27 P HA 0.319 nan 4.420 nan 0.000 0.276 27 P C -2.772 174.347 177.300 -0.301 0.000 1.261 27 P CA -1.810 61.294 63.100 0.007 0.000 0.800 27 P CB 0.086 31.784 31.700 -0.004 0.000 1.066 28 P HA 0.072 nan 4.420 nan 0.000 0.267 28 P C 0.830 177.868 177.300 -0.438 0.000 1.200 28 P CA 1.146 63.700 63.100 -0.910 0.000 0.772 28 P CB -0.226 31.166 31.700 -0.513 0.000 0.855 29 G N 0.678 109.251 108.800 -0.378 0.000 2.198 29 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 29 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 29 G C 0.225 175.061 174.900 -0.106 0.000 1.025 29 G CA 0.056 45.052 45.100 -0.173 0.000 0.769 29 G HN 0.582 nan 8.290 nan 0.000 0.507 30 D N -0.717 119.620 120.400 -0.105 0.000 2.511 30 D HA 0.237 4.877 4.640 -0.000 0.000 0.276 30 D C 1.210 177.510 176.300 0.000 0.000 1.220 30 D CA -0.591 53.388 54.000 -0.036 0.000 1.077 30 D CB 0.506 41.295 40.800 -0.018 0.000 1.126 30 D HN 0.044 nan 8.370 nan 0.000 0.583 31 D N -0.607 119.808 120.400 0.025 0.000 2.392 31 D HA 0.116 4.756 4.640 -0.000 0.000 0.228 31 D C 0.137 176.475 176.300 0.064 0.000 1.003 31 D CA 0.526 54.555 54.000 0.048 0.000 0.917 31 D CB 0.499 41.336 40.800 0.061 0.000 0.890 31 D HN 0.320 nan 8.370 nan 0.000 0.532 32 A N -0.523 122.332 122.820 0.059 0.000 2.515 32 A HA 0.594 4.914 4.320 -0.000 0.000 0.292 32 A C -0.467 177.178 177.584 0.102 0.000 1.065 32 A CA -0.280 51.804 52.037 0.078 0.000 0.641 32 A CB 1.020 20.063 19.000 0.072 0.000 1.306 32 A HN 0.100 nan 8.150 nan 0.000 0.441 33 G N -1.618 107.263 108.800 0.135 0.000 2.788 33 G HA2 0.977 4.937 3.960 -0.000 0.000 0.293 33 G HA3 0.977 4.937 3.960 -0.000 0.000 0.293 33 G C -0.034 174.916 174.900 0.084 0.000 1.305 33 G CA -0.342 44.891 45.100 0.222 0.000 1.005 33 G HN 2.206 nan 8.290 nan 0.000 0.496 34 G N -2.308 106.487 108.800 -0.009 0.000 2.328 34 G HA2 0.637 4.597 3.960 -0.000 0.000 0.295 34 G HA3 0.637 4.597 3.960 -0.000 0.000 0.295 34 G C -1.160 173.600 174.900 -0.232 0.000 1.413 34 G CA 0.436 45.479 45.100 -0.095 0.000 0.817 34 G HN 1.859 nan 8.290 nan 0.000 0.546 35 V N -3.741 116.049 119.914 -0.206 0.000 3.167 35 V HA 0.884 5.004 4.120 -0.000 0.000 0.310 35 V C -1.242 174.718 176.094 -0.223 0.000 1.207 35 V CA -1.777 60.377 62.300 -0.243 0.000 1.059 35 V CB 1.820 33.588 31.823 -0.091 0.000 1.079 35 V HN 0.874 nan 8.190 nan 0.000 0.446 36 W N 0.941 122.276 121.300 0.059 0.000 2.331 36 W HA 0.792 5.452 4.660 -0.000 0.000 0.306 36 W C 0.176 176.750 176.519 0.090 0.000 1.162 36 W CA -0.092 57.303 57.345 0.082 0.000 1.232 36 W CB 1.555 31.044 29.460 0.048 0.000 1.235 36 W HN 0.960 nan 8.180 nan 0.000 0.479 37 A N 3.180 126.243 122.820 0.405 0.000 2.357 37 A HA 0.467 4.787 4.320 -0.000 0.000 0.295 37 A C 0.059 177.799 177.584 0.259 0.000 1.121 37 A CA -0.585 51.599 52.037 0.244 0.000 0.742 37 A CB 0.554 19.603 19.000 0.083 0.000 1.181 37 A HN 0.812 nan 8.150 nan 0.000 0.454 38 E N 1.519 121.813 120.200 0.157 0.000 2.360 38 E HA -0.281 4.068 4.350 -0.000 0.000 0.238 38 E C 1.057 177.746 176.600 0.148 0.000 1.186 38 E CA 1.152 57.628 56.400 0.126 0.000 0.719 38 E CB -1.604 28.164 29.700 0.112 0.000 1.236 38 E HN 2.280 nan 8.360 nan 0.000 0.386 39 G N -2.123 106.769 108.800 0.153 0.000 2.184 39 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.264 39 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.264 39 G C 0.326 175.348 174.900 0.204 0.000 0.975 39 G CA 1.040 46.207 45.100 0.111 0.000 0.642 39 G HN 0.802 nan 8.290 nan 0.000 0.536 40 R N -0.536 120.158 120.500 0.324 0.000 2.902 40 R HA 1.000 5.340 4.340 -0.000 0.000 0.258 40 R C 0.039 176.573 176.300 0.391 0.000 1.071 40 R CA 0.406 56.690 56.100 0.306 0.000 1.024 40 R CB 0.978 31.372 30.300 0.156 0.000 1.184 40 R HN 1.928 nan 8.270 nan 0.000 0.492 41 A N 0.612 123.505 122.820 0.122 0.000 2.260 41 A HA 0.605 4.924 4.320 -0.000 0.000 0.312 41 A C -1.444 175.975 177.584 -0.275 0.000 1.321 41 A CA -0.530 51.424 52.037 -0.137 0.000 0.928 41 A CB -0.065 18.775 19.000 -0.267 0.000 1.158 41 A HN 0.671 nan 8.150 nan 0.000 0.542 42 W N 3.482 124.701 121.300 -0.135 0.000 2.294 42 W HA 0.542 5.202 4.660 -0.000 0.000 0.314 42 W C -0.420 176.036 176.519 -0.104 0.000 1.044 42 W CA -0.251 57.030 57.345 -0.107 0.000 1.284 42 W CB 1.234 30.643 29.460 -0.084 0.000 1.231 42 W HN 0.453 nan 8.180 nan 0.000 0.419 43 L N 5.089 126.339 121.223 0.045 0.000 2.325 43 L HA 0.626 4.966 4.340 -0.000 0.000 0.279 43 L C -0.491 176.456 176.870 0.129 0.000 1.054 43 L CA -1.245 53.623 54.840 0.047 0.000 0.804 43 L CB 0.939 42.992 42.059 -0.010 0.000 1.200 43 L HN 0.195 nan 8.230 nan 0.000 0.436 44 L N 3.764 125.056 121.223 0.114 0.000 2.385 44 L HA 0.657 4.997 4.340 -0.000 0.000 0.273 44 L C -0.778 176.151 176.870 0.098 0.000 0.990 44 L CA -0.314 54.600 54.840 0.123 0.000 0.821 44 L CB 1.619 43.745 42.059 0.112 0.000 1.279 44 L HN 0.510 nan 8.230 nan 0.000 0.412 45 K N 2.118 122.575 120.400 0.095 0.000 2.498 45 K HA 0.786 5.106 4.320 -0.000 0.000 0.254 45 K C -1.598 175.063 176.600 0.101 0.000 0.933 45 K CA -0.266 56.081 56.287 0.099 0.000 0.806 45 K CB 2.206 34.774 32.500 0.113 0.000 1.301 45 K HN 0.588 nan 8.250 nan 0.000 0.432 46 T N 3.090 117.698 114.554 0.089 0.000 2.879 46 T HA 0.476 4.826 4.350 -0.000 0.000 0.290 46 T C -1.627 173.104 174.700 0.053 0.000 0.993 46 T CA -0.748 61.403 62.100 0.083 0.000 0.975 46 T CB 0.881 69.788 68.868 0.065 0.000 0.981 46 T HN 0.456 nan 8.240 nan 0.000 0.439 47 D N 1.611 122.038 120.400 0.046 0.000 2.498 47 D HA 0.552 5.192 4.640 -0.000 0.000 0.247 47 D C -0.008 176.095 176.300 -0.329 0.000 1.070 47 D CA -0.269 53.647 54.000 -0.140 0.000 0.842 47 D CB 2.258 42.995 40.800 -0.106 0.000 1.361 47 D HN 0.663 nan 8.370 nan 0.000 0.484 48 G N 0.510 109.001 108.800 -0.514 0.000 2.441 48 G HA2 0.679 4.639 3.960 -0.000 0.000 0.334 48 G HA3 0.679 4.639 3.960 -0.000 0.000 0.334 48 G C -1.193 173.243 174.900 -0.773 0.000 1.161 48 G CA -0.473 44.398 45.100 -0.381 0.000 0.935 48 G HN 0.270 nan 8.290 nan 0.000 0.488 49 F N -0.388 119.602 119.950 0.065 0.000 2.588 49 F HA 0.386 4.913 4.527 -0.000 0.000 0.314 49 F C -0.277 175.569 175.800 0.076 0.000 1.134 49 F CA -0.850 57.181 58.000 0.051 0.000 0.961 49 F CB 2.048 41.059 39.000 0.018 0.000 1.239 49 F HN 0.172 nan 8.300 nan 0.000 0.448 50 L N 3.606 124.959 121.223 0.217 0.000 2.264 50 L HA 0.249 4.589 4.340 -0.000 0.000 0.289 50 L C 1.026 178.014 176.870 0.197 0.000 1.044 50 L CA -0.657 54.293 54.840 0.183 0.000 0.807 50 L CB 1.142 43.268 42.059 0.111 0.000 1.192 50 L HN 0.812 nan 8.230 nan 0.000 0.425 51 Y N 4.557 124.927 120.300 0.117 0.000 2.062 51 Y HA -0.378 4.172 4.550 -0.000 0.000 0.276 51 Y C 2.510 178.442 175.900 0.053 0.000 1.189 51 Y CA 2.526 60.681 58.100 0.092 0.000 1.130 51 Y CB 0.047 38.589 38.460 0.136 0.000 0.959 51 Y HN 0.645 nan 8.280 nan 0.000 0.499 52 R N 0.208 120.827 120.500 0.198 0.000 2.285 52 R HA -0.103 4.237 4.340 -0.000 0.000 0.213 52 R C 1.429 177.719 176.300 -0.017 0.000 1.068 52 R CA 1.776 57.925 56.100 0.081 0.000 1.004 52 R CB -0.537 29.844 30.300 0.135 0.000 0.873 52 R HN 0.474 nan 8.270 nan 0.000 0.467 53 E N 0.926 121.124 120.200 -0.003 0.000 2.400 53 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 53 E C 1.577 178.144 176.600 -0.055 0.000 1.012 53 E CA 0.880 57.280 56.400 -0.000 0.000 0.875 53 E CB 0.842 30.572 29.700 0.049 0.000 0.859 53 E HN 0.418 nan 8.360 nan 0.000 0.498 54 V N -2.738 117.100 119.914 -0.127 0.000 3.635 54 V HA 0.405 4.525 4.120 -0.000 0.000 0.266 54 V C 0.961 176.844 176.094 -0.351 0.000 1.316 54 V CA -0.076 62.119 62.300 -0.174 0.000 1.060 54 V CB 0.432 32.195 31.823 -0.099 0.000 0.820 54 V HN 0.031 nan 8.190 nan 0.000 0.447 55 A N 2.291 124.822 122.820 -0.483 0.000 2.539 55 A HA 0.648 4.968 4.320 -0.000 0.000 0.306 55 A C 0.100 177.391 177.584 -0.488 0.000 1.392 55 A CA -0.222 51.476 52.037 -0.565 0.000 1.060 55 A CB -0.641 17.889 19.000 -0.782 0.000 1.134 55 A HN 0.553 nan 8.150 nan 0.000 0.542 56 L N 1.523 122.437 121.223 -0.514 0.000 2.456 56 L HA 0.387 4.727 4.340 -0.000 0.000 0.257 56 L C 1.354 178.057 176.870 -0.278 0.000 1.162 56 L CA -0.647 53.834 54.840 -0.599 0.000 0.808 56 L CB 0.312 42.127 42.059 -0.408 0.000 1.136 56 L HN 0.732 nan 8.230 nan 0.000 0.466 57 K N 0.674 121.099 120.400 0.043 0.000 2.524 57 K HA 0.323 4.643 4.320 -0.000 0.000 0.279 57 K C 1.066 177.728 176.600 0.102 0.000 0.993 57 K CA 0.534 56.907 56.287 0.143 0.000 1.030 57 K CB -0.662 31.972 32.500 0.223 0.000 0.891 57 K HN 0.976 nan 8.250 nan 0.000 0.488 58 G N 0.532 109.385 108.800 0.088 0.000 2.217 58 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.246 58 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.246 58 G C 0.408 175.314 174.900 0.011 0.000 0.990 58 G CA 0.468 45.667 45.100 0.165 0.000 0.627 58 G HN 0.748 nan 8.290 nan 0.000 0.522 59 M N 1.006 120.438 119.600 -0.279 0.000 2.277 59 M HA 0.563 5.043 4.480 -0.000 0.000 0.350 59 M C 0.945 177.122 176.300 -0.206 0.000 1.180 59 M CA 0.478 55.463 55.300 -0.525 0.000 1.103 59 M CB 1.557 33.703 32.600 -0.757 0.000 1.577 59 M HN 0.295 nan 8.290 nan 0.000 0.459 60 G N 1.550 110.270 108.800 -0.134 0.000 3.108 60 G HA2 0.534 4.494 3.960 -0.000 0.000 0.268 60 G HA3 0.534 4.494 3.960 -0.000 0.000 0.268 60 G C -2.648 172.270 174.900 0.030 0.000 1.361 60 G CA -1.104 44.015 45.100 0.032 0.000 1.047 60 G HN 0.359 nan 8.290 nan 0.000 0.540 61 P HA -0.123 nan 4.420 nan 0.000 0.216 61 P C 1.560 178.798 177.300 -0.104 0.000 1.153 61 P CA 0.886 63.840 63.100 -0.242 0.000 0.858 61 P CB 0.043 31.275 31.700 -0.781 0.000 0.789 62 F N 0.914 120.785 119.950 -0.131 0.000 2.095 62 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 62 F C 1.949 177.746 175.800 -0.005 0.000 1.104 62 F CA 1.745 59.721 58.000 -0.040 0.000 1.232 62 F CB -0.410 38.600 39.000 0.016 0.000 0.987 62 F HN -0.153 nan 8.300 nan 0.000 0.475 63 E N -0.144 120.113 120.200 0.096 0.000 2.106 63 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 63 E C 2.307 178.775 176.600 -0.219 0.000 0.984 63 E CA 1.338 57.657 56.400 -0.135 0.000 0.806 63 E CB -0.700 28.729 29.700 -0.452 0.000 0.750 63 E HN 0.288 nan 8.360 nan 0.000 0.458 64 V N 0.352 120.127 119.914 -0.232 0.000 2.427 64 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 64 V C 2.182 178.102 176.094 -0.291 0.000 1.051 64 V CA 1.976 64.113 62.300 -0.271 0.000 1.048 64 V CB -0.960 30.752 31.823 -0.185 0.000 0.666 64 V HN 0.425 nan 8.190 nan 0.000 0.456 65 G N -1.274 107.375 108.800 -0.251 0.000 2.403 65 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 65 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 65 G C 1.572 176.259 174.900 -0.356 0.000 1.154 65 G CA 0.710 45.626 45.100 -0.306 0.000 0.784 65 G HN 0.480 nan 8.290 nan 0.000 0.538 66 F N 1.071 120.742 119.950 -0.464 0.000 2.102 66 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 66 F C 2.769 178.340 175.800 -0.381 0.000 1.105 66 F CA 1.702 59.464 58.000 -0.397 0.000 1.239 66 F CB 0.020 38.880 39.000 -0.234 0.000 0.991 66 F HN 0.049 nan 8.300 nan 0.000 0.474 67 R N 0.100 120.543 120.500 -0.095 0.000 2.120 67 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 67 R C 2.439 178.383 176.300 -0.593 0.000 1.123 67 R CA 1.284 57.226 56.100 -0.263 0.000 0.975 67 R CB -0.902 29.223 30.300 -0.291 0.000 0.866 67 R HN 0.475 nan 8.270 nan 0.000 0.446 68 G N -0.388 107.926 108.800 -0.811 0.000 2.421 68 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 68 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 68 G C 1.329 175.890 174.900 -0.565 0.000 1.171 68 G CA 0.874 45.298 45.100 -1.127 0.000 0.775 68 G HN 0.218 nan 8.290 nan 0.000 0.543 69 V N 1.442 121.000 119.914 -0.594 0.000 2.379 69 V HA -0.055 4.065 4.120 -0.000 0.000 0.245 69 V C 3.309 179.026 176.094 -0.629 0.000 1.044 69 V CA 1.836 63.687 62.300 -0.748 0.000 1.036 69 V CB -0.699 30.505 31.823 -1.031 0.000 0.664 69 V HN 0.474 nan 8.190 nan 0.000 0.453 70 A N 0.206 122.690 122.820 -0.560 0.000 1.883 70 A HA -0.177 4.142 4.320 -0.000 0.000 0.217 70 A C 2.445 179.827 177.584 -0.338 0.000 1.186 70 A CA 2.274 54.079 52.037 -0.386 0.000 0.624 70 A CB -0.852 17.988 19.000 -0.266 0.000 0.822 70 A HN 0.566 nan 8.150 nan 0.000 0.444 71 A N -1.050 121.464 122.820 -0.510 0.000 1.883 71 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 71 A C 2.330 179.775 177.584 -0.232 0.000 1.186 71 A CA 2.422 53.937 52.037 -0.869 0.000 0.624 71 A CB -1.382 17.037 19.000 -0.968 0.000 0.822 71 A HN 0.442 nan 8.150 nan 0.000 0.444 72 T N 0.250 114.786 114.554 -0.030 0.000 2.746 72 T HA 0.004 4.354 4.350 -0.000 0.000 0.267 72 T C 2.188 177.016 174.700 0.213 0.000 1.039 72 T CA 1.538 63.733 62.100 0.158 0.000 1.142 72 T CB -0.432 68.588 68.868 0.253 0.000 0.866 72 T HN 0.600 nan 8.240 nan 0.000 0.444 73 A N 1.310 124.241 122.820 0.185 0.000 1.930 73 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 73 A C 2.598 180.264 177.584 0.137 0.000 1.175 73 A CA 1.789 53.967 52.037 0.235 0.000 0.627 73 A CB -0.779 18.317 19.000 0.160 0.000 0.815 73 A HN 0.436 nan 8.150 nan 0.000 0.443 74 S N 0.323 116.084 115.700 0.100 0.000 2.368 74 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 74 S C 1.551 176.257 174.600 0.176 0.000 1.030 74 S CA 1.394 59.680 58.200 0.144 0.000 0.999 74 S CB -0.385 62.943 63.200 0.213 0.000 0.844 74 S HN 0.613 nan 8.310 nan 0.000 0.459 75 D N 1.391 121.915 120.400 0.207 0.000 2.144 75 D HA 0.001 4.641 4.640 -0.000 0.000 0.200 75 D C 1.895 178.268 176.300 0.121 0.000 0.978 75 D CA 0.693 54.798 54.000 0.176 0.000 0.833 75 D CB -0.285 40.630 40.800 0.191 0.000 0.961 75 D HN 0.317 nan 8.370 nan 0.000 0.470 76 L N 0.251 121.544 121.223 0.117 0.000 2.056 76 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 76 L C 2.564 179.467 176.870 0.054 0.000 1.078 76 L CA 0.569 55.455 54.840 0.077 0.000 0.749 76 L CB -0.283 41.820 42.059 0.073 0.000 0.901 76 L HN 0.001 nan 8.230 nan 0.000 0.433 77 L N -0.431 120.833 121.223 0.068 0.000 2.083 77 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 77 L C 2.854 179.756 176.870 0.054 0.000 1.083 77 L CA 1.045 55.915 54.840 0.051 0.000 0.752 77 L CB -0.712 41.384 42.059 0.061 0.000 0.899 77 L HN 0.237 nan 8.230 nan 0.000 0.433 78 A N -0.376 122.489 122.820 0.075 0.000 1.978 78 A HA -0.173 4.146 4.320 -0.000 0.000 0.220 78 A C 2.010 179.628 177.584 0.057 0.000 1.170 78 A CA 1.417 53.500 52.037 0.077 0.000 0.636 78 A CB -0.234 18.823 19.000 0.094 0.000 0.810 78 A HN 0.195 nan 8.150 nan 0.000 0.448 79 K N -1.057 119.370 120.400 0.045 0.000 2.458 79 K HA 0.178 4.498 4.320 -0.000 0.000 0.194 79 K C 0.060 176.664 176.600 0.007 0.000 1.024 79 K CA -0.018 56.285 56.287 0.026 0.000 1.108 79 K CB 0.089 32.602 32.500 0.021 0.000 0.846 79 K HN 0.425 nan 8.250 nan 0.000 0.518 80 M N -0.712 118.894 119.600 0.009 0.000 2.620 80 M HA -0.125 4.355 4.480 -0.000 0.000 0.208 80 M C 0.200 176.477 176.300 -0.038 0.000 0.468 80 M CA 0.725 56.021 55.300 -0.007 0.000 0.603 80 M CB -2.491 30.107 32.600 -0.004 0.000 2.246 80 M HN 0.173 nan 8.290 nan 0.000 0.753 81 G N 0.617 109.393 108.800 -0.040 0.000 2.415 81 G HA2 0.624 4.583 3.960 -0.000 0.000 0.327 81 G HA3 0.624 4.583 3.960 -0.000 0.000 0.327 81 G C -0.217 174.638 174.900 -0.075 0.000 1.182 81 G CA -0.734 44.316 45.100 -0.084 0.000 0.924 81 G HN 0.351 nan 8.290 nan 0.000 0.470 82 R N 3.049 123.477 120.500 -0.120 0.000 2.202 82 R HA 0.327 4.667 4.340 -0.000 0.000 0.334 82 R C -2.466 173.768 176.300 -0.110 0.000 1.036 82 R CA -1.537 54.506 56.100 -0.096 0.000 0.878 82 R CB 0.953 31.189 30.300 -0.108 0.000 1.067 82 R HN 0.210 nan 8.270 nan 0.000 0.457 83 P HA -0.017 nan 4.420 nan 0.000 0.267 83 P C -0.195 177.044 177.300 -0.101 0.000 1.209 83 P CA 0.273 63.311 63.100 -0.104 0.000 0.763 83 P CB 0.696 32.399 31.700 0.006 0.000 0.816 84 L N 1.831 123.002 121.223 -0.085 0.000 2.609 84 L HA 0.447 4.787 4.340 -0.000 0.000 0.230 84 L C 1.129 178.111 176.870 0.187 0.000 1.064 84 L CA 0.246 55.113 54.840 0.045 0.000 0.873 84 L CB 0.100 42.153 42.059 -0.010 0.000 1.139 84 L HN 0.511 nan 8.230 nan 0.000 0.490 85 G N -0.679 108.152 108.800 0.051 0.000 2.547 85 G HA2 0.528 4.488 3.960 -0.000 0.000 0.291 85 G HA3 0.528 4.488 3.960 -0.000 0.000 0.291 85 G C -1.943 172.646 174.900 -0.519 0.000 1.471 85 G CA -0.436 44.658 45.100 -0.009 0.000 0.798 85 G HN -0.183 nan 8.290 nan 0.000 0.504 86 F N 0.182 120.138 119.950 0.011 0.000 2.576 86 F HA 0.738 5.265 4.527 -0.000 0.000 0.313 86 F C 0.487 176.242 175.800 -0.075 0.000 1.078 86 F CA -0.739 57.230 58.000 -0.053 0.000 0.921 86 F CB 3.054 42.024 39.000 -0.050 0.000 1.232 86 F HN 0.560 nan 8.300 nan 0.000 0.459 87 T N 0.511 115.118 114.554 0.089 0.000 2.863 87 T HA 0.789 5.139 4.350 -0.000 0.000 0.285 87 T C -1.137 173.588 174.700 0.042 0.000 1.009 87 T CA -0.790 61.324 62.100 0.023 0.000 0.989 87 T CB 1.767 70.608 68.868 -0.045 0.000 1.004 87 T HN 0.275 nan 8.240 nan 0.000 0.455 88 L N 2.049 123.278 121.223 0.010 0.000 2.322 88 L HA 0.728 5.068 4.340 -0.000 0.000 0.281 88 L C 0.614 177.465 176.870 -0.030 0.000 1.014 88 L CA -0.271 54.568 54.840 -0.001 0.000 0.815 88 L CB 1.689 43.734 42.059 -0.024 0.000 1.247 88 L HN 1.081 nan 8.230 nan 0.000 0.421 89 G N 4.593 113.379 108.800 -0.022 0.000 2.468 89 G HA2 0.639 4.598 3.960 -0.000 0.000 0.315 89 G HA3 0.639 4.598 3.960 -0.000 0.000 0.315 89 G C -0.947 173.864 174.900 -0.147 0.000 1.203 89 G CA -0.351 44.687 45.100 -0.105 0.000 0.962 89 G HN 0.403 nan 8.290 nan 0.000 0.476 90 L N 1.729 122.796 121.223 -0.260 0.000 2.329 90 L HA 0.593 4.932 4.340 -0.000 0.000 0.279 90 L C -0.996 175.628 176.870 -0.410 0.000 1.014 90 L CA -0.857 53.866 54.840 -0.195 0.000 0.814 90 L CB 2.107 44.120 42.059 -0.076 0.000 1.257 90 L HN 0.338 nan 8.230 nan 0.000 0.424 91 F N 3.733 123.712 119.950 0.049 0.000 2.460 91 F HA 0.627 5.154 4.527 -0.000 0.000 0.341 91 F C -0.341 175.476 175.800 0.027 0.000 1.130 91 F CA -0.406 57.614 58.000 0.034 0.000 0.962 91 F CB 1.515 40.538 39.000 0.037 0.000 1.171 91 F HN 0.153 nan 8.300 nan 0.000 0.436 92 L N 4.821 126.124 121.223 0.134 0.000 2.431 92 L HA 0.607 4.947 4.340 -0.000 0.000 0.266 92 L C -2.652 174.232 176.870 0.022 0.000 0.978 92 L CA -2.225 52.650 54.840 0.058 0.000 0.822 92 L CB 2.296 44.374 42.059 0.031 0.000 1.310 92 L HN 0.296 nan 8.230 nan 0.000 0.409 93 P HA 0.157 nan 4.420 nan 0.000 0.269 93 P C 0.600 177.875 177.300 -0.043 0.000 1.209 93 P CA 0.030 63.105 63.100 -0.041 0.000 0.776 93 P CB 0.733 32.380 31.700 -0.088 0.000 0.876 94 E N 1.686 121.869 120.200 -0.027 0.000 2.268 94 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 94 E C 1.016 177.595 176.600 -0.035 0.000 0.995 94 E CA 1.671 58.057 56.400 -0.023 0.000 0.836 94 E CB -1.294 28.398 29.700 -0.012 0.000 0.763 94 E HN 0.739 nan 8.360 nan 0.000 0.491 95 D N -1.064 119.306 120.400 -0.050 0.000 2.340 95 D HA 0.147 4.787 4.640 -0.000 0.000 0.220 95 D C 0.548 176.799 176.300 -0.081 0.000 1.039 95 D CA -0.467 53.500 54.000 -0.055 0.000 0.866 95 D CB -0.231 40.537 40.800 -0.054 0.000 0.913 95 D HN 0.348 nan 8.370 nan 0.000 0.523 96 L N 1.541 122.699 121.223 -0.109 0.000 2.453 96 L HA 0.112 4.452 4.340 -0.000 0.000 0.272 96 L C 0.471 177.296 176.870 -0.075 0.000 1.182 96 L CA 0.139 54.880 54.840 -0.165 0.000 0.858 96 L CB 0.443 42.374 42.059 -0.214 0.000 1.120 96 L HN -0.055 nan 8.230 nan 0.000 0.474 97 E N 3.400 123.568 120.200 -0.053 0.000 2.373 97 E HA -0.060 4.290 4.350 -0.000 0.000 0.267 97 E C 0.676 177.320 176.600 0.073 0.000 1.032 97 E CA 0.141 56.553 56.400 0.020 0.000 0.889 97 E CB 0.999 30.726 29.700 0.044 0.000 0.984 97 E HN 0.683 nan 8.360 nan 0.000 0.425 98 E N 2.594 122.828 120.200 0.056 0.000 2.118 98 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 98 E C 1.655 178.306 176.600 0.085 0.000 0.992 98 E CA 1.331 57.769 56.400 0.062 0.000 0.804 98 E CB -0.135 29.588 29.700 0.038 0.000 0.741 98 E HN 0.719 nan 8.360 nan 0.000 0.458 99 G N 0.428 109.280 108.800 0.087 0.000 2.442 99 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 99 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 99 G C 1.349 176.312 174.900 0.105 0.000 1.141 99 G CA 0.691 45.841 45.100 0.083 0.000 0.763 99 G HN 0.400 nan 8.290 nan 0.000 0.554 100 F N 1.214 121.160 119.950 -0.007 0.000 2.095 100 F HA -0.131 4.395 4.527 -0.000 0.000 0.298 100 F C 2.668 178.457 175.800 -0.019 0.000 1.104 100 F CA 1.671 59.658 58.000 -0.021 0.000 1.232 100 F CB -0.107 38.855 39.000 -0.064 0.000 0.987 100 F HN 0.015 nan 8.300 nan 0.000 0.475 101 V N 0.178 120.216 119.914 0.207 0.000 2.427 101 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 101 V C 2.275 178.368 176.094 -0.000 0.000 1.051 101 V CA 1.516 63.874 62.300 0.097 0.000 1.048 101 V CB -0.772 31.116 31.823 0.108 0.000 0.666 101 V HN 0.395 nan 8.190 nan 0.000 0.456 102 L N 0.145 121.379 121.223 0.019 0.000 2.042 102 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 102 L C 2.531 179.404 176.870 0.004 0.000 1.076 102 L CA 1.949 56.798 54.840 0.015 0.000 0.749 102 L CB -0.659 41.419 42.059 0.032 0.000 0.893 102 L HN 0.260 nan 8.230 nan 0.000 0.432 103 E N -0.472 119.718 120.200 -0.018 0.000 2.072 103 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 103 E C 2.344 178.902 176.600 -0.069 0.000 0.985 103 E CA 1.255 57.667 56.400 0.021 0.000 0.801 103 E CB -0.391 29.298 29.700 -0.019 0.000 0.750 103 E HN 0.504 nan 8.360 nan 0.000 0.452 104 L N 0.388 121.495 121.223 -0.194 0.000 1.989 104 L HA -0.214 4.125 4.340 -0.000 0.000 0.211 104 L C 2.552 179.312 176.870 -0.183 0.000 1.071 104 L CA 1.096 55.809 54.840 -0.210 0.000 0.749 104 L CB -0.531 41.418 42.059 -0.184 0.000 0.890 104 L HN 0.017 nan 8.230 nan 0.000 0.431 105 V N -0.102 119.741 119.914 -0.119 0.000 2.343 105 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 105 V C 3.192 179.215 176.094 -0.118 0.000 1.051 105 V CA 2.337 64.576 62.300 -0.102 0.000 1.036 105 V CB -1.233 30.561 31.823 -0.048 0.000 0.654 105 V HN 0.554 nan 8.190 nan 0.000 0.451 106 R N 0.730 121.188 120.500 -0.069 0.000 2.091 106 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 106 R C 2.438 178.581 176.300 -0.262 0.000 1.136 106 R CA 2.160 58.257 56.100 -0.005 0.000 0.959 106 R CB -1.974 28.457 30.300 0.218 0.000 0.856 106 R HN 0.609 nan 8.270 nan 0.000 0.437 107 G N 0.067 108.463 108.800 -0.672 0.000 2.421 107 G HA2 0.009 3.969 3.960 -0.000 0.000 0.216 107 G HA3 0.009 3.969 3.960 -0.000 0.000 0.216 107 G C 2.022 176.563 174.900 -0.599 0.000 1.171 107 G CA 1.485 45.840 45.100 -1.242 0.000 0.775 107 G HN 0.863 nan 8.290 nan 0.000 0.543 108 A N 1.107 123.668 122.820 -0.432 0.000 1.933 108 A HA 0.283 4.603 4.320 -0.000 0.000 0.218 108 A C 2.801 180.169 177.584 -0.361 0.000 1.175 108 A CA 2.217 54.010 52.037 -0.407 0.000 0.628 108 A CB -0.731 18.090 19.000 -0.299 0.000 0.814 108 A HN 0.776 nan 8.150 nan 0.000 0.444 109 A N -0.358 122.322 122.820 -0.233 0.000 1.902 109 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 109 A C 1.971 179.473 177.584 -0.138 0.000 1.181 109 A CA 2.095 54.053 52.037 -0.131 0.000 0.623 109 A CB -0.443 18.532 19.000 -0.043 0.000 0.818 109 A HN 0.506 nan 8.150 nan 0.000 0.443 110 E N 0.386 120.506 120.200 -0.133 0.000 2.110 110 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 110 E C 1.987 178.483 176.600 -0.173 0.000 0.988 110 E CA 1.581 57.968 56.400 -0.021 0.000 0.804 110 E CB -0.470 29.365 29.700 0.226 0.000 0.745 110 E HN 0.463 nan 8.360 nan 0.000 0.458 111 A N 0.672 123.167 122.820 -0.542 0.000 1.898 111 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 111 A C 2.437 179.707 177.584 -0.524 0.000 1.181 111 A CA 1.945 53.432 52.037 -0.917 0.000 0.620 111 A CB -0.979 17.154 19.000 -1.445 0.000 0.819 111 A HN 0.367 nan 8.150 nan 0.000 0.442 112 A N -0.133 122.426 122.820 -0.435 0.000 1.902 112 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 112 A C 2.139 179.612 177.584 -0.184 0.000 1.181 112 A CA 2.035 53.924 52.037 -0.247 0.000 0.623 112 A CB -0.492 18.445 19.000 -0.106 0.000 0.818 112 A HN 0.548 nan 8.150 nan 0.000 0.443 113 K N -0.685 119.613 120.400 -0.171 0.000 2.032 113 K HA -0.192 4.127 4.320 -0.000 0.000 0.209 113 K C 2.160 178.688 176.600 -0.121 0.000 1.048 113 K CA 1.325 57.526 56.287 -0.144 0.000 0.927 113 K CB -0.145 32.317 32.500 -0.063 0.000 0.712 113 K HN 0.265 nan 8.250 nan 0.000 0.441 114 R N 0.504 120.944 120.500 -0.100 0.000 2.159 114 R HA -0.114 4.226 4.340 -0.000 0.000 0.237 114 R C 1.953 178.212 176.300 -0.067 0.000 1.131 114 R CA 1.012 57.077 56.100 -0.059 0.000 0.982 114 R CB -0.453 29.829 30.300 -0.029 0.000 0.868 114 R HN 0.343 nan 8.270 nan 0.000 0.453 115 L N -0.142 121.024 121.223 -0.094 0.000 2.611 115 L HA 0.214 4.554 4.340 -0.000 0.000 0.229 115 L C 0.837 177.658 176.870 -0.083 0.000 1.137 115 L CA 0.244 55.050 54.840 -0.057 0.000 0.901 115 L CB 0.012 42.067 42.059 -0.007 0.000 1.098 115 L HN 0.299 nan 8.230 nan 0.000 0.456 116 G N 0.710 109.424 108.800 -0.144 0.000 2.198 116 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 116 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 116 G C 0.252 174.922 174.900 -0.383 0.000 1.025 116 G CA 0.367 45.339 45.100 -0.212 0.000 0.769 116 G HN 0.537 nan 8.290 nan 0.000 0.507 117 A N -1.223 121.343 122.820 -0.424 0.000 2.616 117 A HA 1.048 5.368 4.320 -0.000 0.000 0.253 117 A C -0.451 176.630 177.584 -0.839 0.000 1.239 117 A CA -0.739 51.024 52.037 -0.456 0.000 0.914 117 A CB 1.166 20.217 19.000 0.084 0.000 1.454 117 A HN 0.832 nan 8.150 nan 0.000 0.460 118 F N -1.986 118.071 119.950 0.179 0.000 2.685 118 F HA 0.553 5.080 4.527 -0.000 0.000 0.315 118 F C -0.585 175.317 175.800 0.172 0.000 1.126 118 F CA -0.565 57.515 58.000 0.133 0.000 0.950 118 F CB 1.549 40.602 39.000 0.089 0.000 1.360 118 F HN 0.319 nan 8.300 nan 0.000 0.469 119 L N 2.458 123.868 121.223 0.313 0.000 2.282 119 L HA 0.444 4.784 4.340 -0.000 0.000 0.288 119 L C -0.150 176.807 176.870 0.144 0.000 1.033 119 L CA -0.455 54.498 54.840 0.188 0.000 0.807 119 L CB 1.448 43.563 42.059 0.093 0.000 1.209 119 L HN 0.596 nan 8.230 nan 0.000 0.423 120 L N 3.582 124.859 121.223 0.089 0.000 2.928 120 L HA 0.368 4.707 4.340 -0.000 0.000 0.246 120 L C 1.021 177.891 176.870 -0.000 0.000 1.239 120 L CA -0.029 54.830 54.840 0.031 0.000 1.035 120 L CB -0.237 41.817 42.059 -0.009 0.000 1.360 120 L HN 0.992 nan 8.230 nan 0.000 0.529 121 G N -0.009 108.797 108.800 0.010 0.000 2.513 121 G HA2 0.137 4.097 3.960 -0.000 0.000 0.227 121 G HA3 0.137 4.097 3.960 -0.000 0.000 0.227 121 G C 0.057 174.947 174.900 -0.017 0.000 1.176 121 G CA -0.234 44.861 45.100 -0.008 0.000 0.967 121 G HN 0.770 nan 8.290 nan 0.000 0.587 122 G N -1.002 107.779 108.800 -0.031 0.000 2.366 122 G HA2 0.560 4.520 3.960 -0.000 0.000 0.190 122 G HA3 0.560 4.520 3.960 -0.000 0.000 0.190 122 G C -1.572 173.294 174.900 -0.056 0.000 1.299 122 G CA 0.953 46.028 45.100 -0.042 0.000 1.056 122 G HN 1.894 nan 8.290 nan 0.000 0.468 123 D N -0.758 119.593 120.400 -0.082 0.000 2.609 123 D HA 0.690 5.330 4.640 -0.000 0.000 0.239 123 D C -0.355 175.854 176.300 -0.153 0.000 1.229 123 D CA 0.580 54.517 54.000 -0.106 0.000 0.808 123 D CB 2.040 42.771 40.800 -0.114 0.000 1.448 123 D HN 0.918 nan 8.370 nan 0.000 0.433 124 T N 0.027 114.494 114.554 -0.146 0.000 2.893 124 T HA 0.753 5.103 4.350 -0.000 0.000 0.293 124 T C -0.779 173.822 174.700 -0.166 0.000 1.027 124 T CA -0.855 61.148 62.100 -0.162 0.000 0.988 124 T CB 1.376 70.194 68.868 -0.084 0.000 1.043 124 T HN 0.292 nan 8.240 nan 0.000 0.461 125 N N 0.134 118.711 118.700 -0.205 0.000 2.494 125 N HA 0.630 5.370 4.740 -0.000 0.000 0.270 125 N C -0.155 175.376 175.510 0.035 0.000 1.285 125 N CA -0.749 52.247 53.050 -0.090 0.000 0.812 125 N CB 2.233 40.650 38.487 -0.117 0.000 1.557 125 N HN 0.992 nan 8.380 nan 0.000 0.487 126 R N -0.080 120.470 120.500 0.084 0.000 2.694 126 R HA 0.683 5.023 4.340 -0.000 0.000 0.268 126 R C 0.583 176.992 176.300 0.181 0.000 1.061 126 R CA 0.296 56.454 56.100 0.096 0.000 1.133 126 R CB -0.269 30.068 30.300 0.061 0.000 1.020 126 R HN 0.766 nan 8.270 nan 0.000 0.475 127 G N -1.290 107.590 108.800 0.133 0.000 2.673 127 G HA2 0.437 4.397 3.960 -0.000 0.000 0.292 127 G HA3 0.437 4.397 3.960 -0.000 0.000 0.292 127 G C 0.574 175.504 174.900 0.051 0.000 1.450 127 G CA 0.068 45.243 45.100 0.127 0.000 0.837 127 G HN 0.706 nan 8.290 nan 0.000 0.505 128 V N -0.079 119.845 119.914 0.017 0.000 2.343 128 V HA 0.025 4.145 4.120 -0.000 0.000 0.247 128 V C 1.193 177.286 176.094 -0.002 0.000 1.051 128 V CA 2.516 64.816 62.300 -0.001 0.000 1.036 128 V CB -0.948 30.867 31.823 -0.013 0.000 0.654 128 V HN 0.869 nan 8.190 nan 0.000 0.451 129 E N -1.692 118.515 120.200 0.013 0.000 2.433 129 E HA 0.452 4.802 4.350 -0.000 0.000 0.278 129 E C -1.396 175.238 176.600 0.055 0.000 0.976 129 E CA -0.935 55.473 56.400 0.013 0.000 0.793 129 E CB 2.131 31.847 29.700 0.026 0.000 1.311 129 E HN -0.136 nan 8.360 nan 0.000 0.460 130 V N 0.780 120.720 119.914 0.043 0.000 2.458 130 V HA 0.399 4.518 4.120 -0.000 0.000 0.287 130 V C 0.010 176.234 176.094 0.217 0.000 1.009 130 V CA 0.791 63.158 62.300 0.111 0.000 1.091 130 V CB -0.188 31.652 31.823 0.029 0.000 0.960 130 V HN 0.706 nan 8.190 nan 0.000 0.476 131 A N 6.231 129.208 122.820 0.263 0.000 2.422 131 A HA 0.902 5.222 4.320 -0.000 0.000 0.302 131 A C -1.223 176.580 177.584 0.365 0.000 1.041 131 A CA -0.600 51.615 52.037 0.296 0.000 0.708 131 A CB 1.717 20.850 19.000 0.221 0.000 1.257 131 A HN 0.960 nan 8.150 nan 0.000 0.414 132 L N 1.864 123.290 121.223 0.338 0.000 2.436 132 L HA 0.857 5.197 4.340 -0.000 0.000 0.268 132 L C -0.223 176.869 176.870 0.370 0.000 0.974 132 L CA 0.164 55.185 54.840 0.300 0.000 0.826 132 L CB 2.406 44.588 42.059 0.204 0.000 1.291 132 L HN 0.878 nan 8.230 nan 0.000 0.406 133 T N 1.875 116.594 114.554 0.274 0.000 2.807 133 T HA 0.805 5.155 4.350 -0.000 0.000 0.279 133 T C -0.773 174.056 174.700 0.214 0.000 0.993 133 T CA -0.680 61.571 62.100 0.253 0.000 0.970 133 T CB 1.499 70.475 68.868 0.179 0.000 0.950 133 T HN 0.472 nan 8.240 nan 0.000 0.441 134 V N 3.247 123.328 119.914 0.279 0.000 2.448 134 V HA 0.626 4.746 4.120 -0.000 0.000 0.295 134 V C -0.092 176.123 176.094 0.203 0.000 1.025 134 V CA -0.638 61.786 62.300 0.206 0.000 0.859 134 V CB 1.819 33.744 31.823 0.169 0.000 0.988 134 V HN 1.134 nan 8.190 nan 0.000 0.431 135 S N 2.517 118.318 115.700 0.167 0.000 2.532 135 S HA 0.936 5.406 4.470 -0.000 0.000 0.301 135 S C 0.108 174.787 174.600 0.132 0.000 1.083 135 S CA -0.546 57.731 58.200 0.128 0.000 1.025 135 S CB 2.053 65.283 63.200 0.049 0.000 1.056 135 S HN 1.133 nan 8.310 nan 0.000 0.494 136 G N 1.197 110.030 108.800 0.054 0.000 2.718 136 G HA2 0.644 4.604 3.960 -0.000 0.000 0.295 136 G HA3 0.644 4.604 3.960 -0.000 0.000 0.295 136 G C -1.525 173.335 174.900 -0.067 0.000 1.421 136 G CA -0.858 44.125 45.100 -0.194 0.000 0.902 136 G HN 0.715 nan 8.290 nan 0.000 0.501 137 Y N -0.864 119.317 120.300 -0.198 0.000 2.549 137 Y HA 0.867 5.417 4.550 -0.000 0.000 0.339 137 Y C -0.051 175.799 175.900 -0.084 0.000 1.053 137 Y CA -1.444 56.630 58.100 -0.043 0.000 1.105 137 Y CB 2.179 40.701 38.460 0.103 0.000 1.258 137 Y HN 0.868 nan 8.280 nan 0.000 0.478 138 A N 1.126 123.984 122.820 0.064 0.000 2.572 138 A HA 0.752 5.072 4.320 -0.000 0.000 0.295 138 A C -1.508 175.808 177.584 -0.447 0.000 1.072 138 A CA -0.498 51.434 52.037 -0.176 0.000 0.691 138 A CB 1.041 19.974 19.000 -0.112 0.000 1.291 138 A HN 1.463 nan 8.150 nan 0.000 0.404 139 L N 0.096 120.934 121.223 -0.642 0.000 2.282 139 L HA 0.920 5.260 4.340 -0.000 0.000 0.288 139 L C 0.302 176.889 176.870 -0.471 0.000 1.033 139 L CA -0.181 54.110 54.840 -0.915 0.000 0.807 139 L CB 0.402 41.861 42.059 -0.999 0.000 1.209 139 L HN 2.004 nan 8.230 nan 0.000 0.423 140 A N 1.748 124.332 122.820 -0.394 0.000 2.340 140 A HA 0.597 4.917 4.320 -0.000 0.000 0.297 140 A C 0.651 178.162 177.584 -0.121 0.000 1.195 140 A CA -0.234 51.681 52.037 -0.203 0.000 0.769 140 A CB 0.345 19.253 19.000 -0.152 0.000 1.163 140 A HN 0.965 nan 8.150 nan 0.000 0.472 141 E N 1.860 122.010 120.200 -0.084 0.000 2.077 141 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 141 E C 0.775 177.395 176.600 0.034 0.000 0.989 141 E CA 1.480 57.867 56.400 -0.022 0.000 0.800 141 E CB 0.124 29.809 29.700 -0.025 0.000 0.746 141 E HN 0.731 nan 8.360 nan 0.000 0.452 142 A N 1.934 124.767 122.820 0.021 0.000 2.815 142 A HA 0.279 4.599 4.320 -0.000 0.000 0.318 142 A C -2.585 175.020 177.584 0.035 0.000 1.186 142 A CA -1.418 50.651 52.037 0.054 0.000 0.754 142 A CB 0.427 19.451 19.000 0.040 0.000 1.151 142 A HN -0.088 nan 8.150 nan 0.000 0.452 143 P HA 0.121 nan 4.420 nan 0.000 0.265 143 P C -0.660 176.656 177.300 0.026 0.000 1.193 143 P CA 0.071 63.170 63.100 -0.002 0.000 0.765 143 P CB 1.093 32.759 31.700 -0.057 0.000 0.823 144 L N 6.771 128.005 121.223 0.019 0.000 2.277 144 L HA 0.502 4.842 4.340 -0.000 0.000 0.284 144 L C -2.316 174.573 176.870 0.033 0.000 1.028 144 L CA -2.448 52.411 54.840 0.031 0.000 0.835 144 L CB 1.325 43.402 42.059 0.031 0.000 1.215 144 L HN 0.257 nan 8.230 nan 0.000 0.425 145 P HA 0.288 nan 4.420 nan 0.000 0.301 145 P C -1.042 176.279 177.300 0.035 0.000 1.309 145 P CA -0.786 62.335 63.100 0.035 0.000 0.782 145 P CB 0.998 32.723 31.700 0.042 0.000 1.282 146 R N 0.697 121.214 120.500 0.028 0.000 2.242 146 R HA 0.382 4.722 4.340 -0.000 0.000 0.334 146 R C 0.497 176.813 176.300 0.027 0.000 1.071 146 R CA 0.102 56.218 56.100 0.027 0.000 0.922 146 R CB 0.223 30.534 30.300 0.019 0.000 1.023 146 R HN 0.463 nan 8.270 nan 0.000 0.458 147 K N 1.408 121.826 120.400 0.030 0.000 2.578 147 K HA 0.611 4.931 4.320 -0.000 0.000 0.269 147 K C -2.150 174.466 176.600 0.027 0.000 0.941 147 K CA -0.634 55.670 56.287 0.028 0.000 0.847 147 K CB 2.191 34.711 32.500 0.033 0.000 1.397 147 K HN 0.627 nan 8.250 nan 0.000 0.422 148 A N 3.557 126.390 122.820 0.021 0.000 2.577 148 A HA 0.615 4.935 4.320 -0.000 0.000 0.297 148 A C -1.974 175.618 177.584 0.014 0.000 1.060 148 A CA -0.729 51.319 52.037 0.018 0.000 0.697 148 A CB 1.140 20.146 19.000 0.010 0.000 1.281 148 A HN 0.509 nan 8.150 nan 0.000 0.402 149 L N 1.820 123.051 121.223 0.013 0.000 2.362 149 L HA 0.500 4.840 4.340 -0.000 0.000 0.271 149 L C -2.502 174.371 176.870 0.005 0.000 1.002 149 L CA -2.366 52.480 54.840 0.010 0.000 0.818 149 L CB 2.651 44.718 42.059 0.013 0.000 1.298 149 L HN 0.404 nan 8.230 nan 0.000 0.420 150 P HA 0.076 nan 4.420 nan 0.000 0.260 150 P C 0.627 177.925 177.300 -0.004 0.000 1.185 150 P CA 0.831 63.928 63.100 -0.005 0.000 0.763 150 P CB 0.635 32.332 31.700 -0.006 0.000 0.776 151 G N 2.600 111.396 108.800 -0.007 0.000 2.481 151 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.200 151 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.200 151 G C -0.094 174.808 174.900 0.003 0.000 1.012 151 G CA -0.503 44.594 45.100 -0.005 0.000 0.676 151 G HN 0.469 nan 8.290 nan 0.000 0.488 152 D N 1.664 122.071 120.400 0.011 0.000 2.400 152 D HA 0.432 5.072 4.640 -0.000 0.000 0.238 152 D C 0.812 177.128 176.300 0.026 0.000 1.157 152 D CA 0.130 54.147 54.000 0.028 0.000 0.889 152 D CB 0.957 41.778 40.800 0.034 0.000 1.199 152 D HN 0.103 nan 8.370 nan 0.000 0.436 153 L N 0.836 122.097 121.223 0.064 0.000 2.399 153 L HA 0.427 4.767 4.340 -0.000 0.000 0.265 153 L C 0.313 177.218 176.870 0.058 0.000 1.089 153 L CA -0.522 54.337 54.840 0.032 0.000 0.802 153 L CB 0.455 42.560 42.059 0.077 0.000 1.180 153 L HN 0.210 nan 8.230 nan 0.000 0.454 154 L N 2.210 123.383 121.223 -0.083 0.000 2.325 154 L HA 0.456 4.795 4.340 -0.000 0.000 0.281 154 L C -1.118 175.659 176.870 -0.155 0.000 1.004 154 L CA -0.526 54.291 54.840 -0.038 0.000 0.823 154 L CB 1.321 43.340 42.059 -0.067 0.000 1.236 154 L HN 0.408 nan 8.230 nan 0.000 0.415 155 Y N 3.088 123.385 120.300 -0.004 0.000 2.509 155 Y HA 0.575 5.125 4.550 -0.000 0.000 0.341 155 Y C -0.179 175.731 175.900 0.017 0.000 1.038 155 Y CA -0.820 57.290 58.100 0.018 0.000 1.089 155 Y CB 2.250 40.731 38.460 0.034 0.000 1.241 155 Y HN 0.327 nan 8.280 nan 0.000 0.468 156 L N 3.030 124.354 121.223 0.169 0.000 2.298 156 L HA 0.717 5.057 4.340 -0.000 0.000 0.284 156 L C -0.236 176.822 176.870 0.313 0.000 1.013 156 L CA -0.852 53.993 54.840 0.009 0.000 0.824 156 L CB 1.234 42.902 42.059 -0.651 0.000 1.221 156 L HN 0.697 nan 8.230 nan 0.000 0.418 157 A N 2.674 125.775 122.820 0.468 0.000 2.304 157 A HA 0.876 5.196 4.320 -0.000 0.000 0.301 157 A C 0.491 178.403 177.584 0.546 0.000 1.132 157 A CA 0.317 52.606 52.037 0.420 0.000 0.819 157 A CB 1.061 20.227 19.000 0.278 0.000 1.094 157 A HN 0.955 nan 8.150 nan 0.000 0.492 158 G N 0.980 110.002 108.800 0.370 0.000 2.756 158 G HA2 0.107 4.067 3.960 -0.000 0.000 0.678 158 G HA3 0.107 4.067 3.960 -0.000 0.000 0.678 158 G C -0.425 174.696 174.900 0.369 0.000 1.349 158 G CA 0.230 45.487 45.100 0.261 0.000 0.847 158 G HN 1.678 nan 8.290 nan 0.000 0.548 159 D N -1.468 119.036 120.400 0.174 0.000 2.760 159 D HA 0.153 4.793 4.640 -0.000 0.000 0.314 159 D C 1.179 177.517 176.300 0.063 0.000 1.464 159 D CA -0.435 53.685 54.000 0.200 0.000 0.797 159 D CB 0.041 40.778 40.800 -0.104 0.000 1.149 159 D HN 0.507 nan 8.370 nan 0.000 0.455 160 R N -0.387 120.068 120.500 -0.076 0.000 2.300 160 R HA 0.144 4.484 4.340 -0.000 0.000 0.199 160 R C -0.162 176.124 176.300 -0.023 0.000 0.920 160 R CA -0.289 55.755 56.100 -0.094 0.000 1.046 160 R CB 0.171 30.364 30.300 -0.178 0.000 0.984 160 R HN 0.107 nan 8.270 nan 0.000 0.493 161 W N 1.237 122.653 121.300 0.193 0.000 2.385 161 W HA 0.043 4.703 4.660 -0.000 0.000 0.336 161 W C 1.498 178.076 176.519 0.099 0.000 1.351 161 W CA 1.248 58.654 57.345 0.101 0.000 1.295 161 W CB 0.121 29.586 29.460 0.009 0.000 1.239 161 W HN 0.323 nan 8.180 nan 0.000 0.565 162 G N 1.797 110.733 108.800 0.227 0.000 2.347 162 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.247 162 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.247 162 G C 1.444 176.403 174.900 0.099 0.000 1.037 162 G CA 0.633 45.814 45.100 0.134 0.000 0.622 162 G HN 0.541 nan 8.290 nan 0.000 0.521 163 R N 0.332 120.901 120.500 0.114 0.000 2.093 163 R HA 0.082 4.422 4.340 -0.000 0.000 0.224 163 R C 3.025 179.302 176.300 -0.037 0.000 1.101 163 R CA 1.967 58.084 56.100 0.027 0.000 0.979 163 R CB -0.454 29.874 30.300 0.046 0.000 0.877 163 R HN 0.629 nan 8.270 nan 0.000 0.441 164 T N -2.175 112.372 114.554 -0.012 0.000 2.857 164 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 164 T C 2.124 176.818 174.700 -0.009 0.000 1.048 164 T CA 1.106 63.197 62.100 -0.015 0.000 1.139 164 T CB -0.493 68.374 68.868 -0.002 0.000 0.874 164 T HN 0.302 nan 8.240 nan 0.000 0.455 165 G N 1.263 110.070 108.800 0.012 0.000 2.422 165 G HA2 0.081 4.041 3.960 -0.000 0.000 0.218 165 G HA3 0.081 4.041 3.960 -0.000 0.000 0.218 165 G C 1.874 176.777 174.900 0.006 0.000 1.146 165 G CA 0.719 45.844 45.100 0.040 0.000 0.769 165 G HN 0.723 nan 8.290 nan 0.000 0.547 166 A N 1.065 123.826 122.820 -0.098 0.000 1.930 166 A HA 0.348 4.668 4.320 -0.000 0.000 0.217 166 A C 2.779 180.078 177.584 -0.475 0.000 1.175 166 A CA 2.013 53.833 52.037 -0.362 0.000 0.627 166 A CB -0.637 17.997 19.000 -0.610 0.000 0.815 166 A HN 0.690 nan 8.150 nan 0.000 0.443 167 A N 0.079 122.734 122.820 -0.274 0.000 1.898 167 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 167 A C 2.096 179.656 177.584 -0.040 0.000 1.181 167 A CA 1.464 53.398 52.037 -0.171 0.000 0.620 167 A CB -0.584 18.370 19.000 -0.076 0.000 0.819 167 A HN 0.486 nan 8.150 nan 0.000 0.442 168 I N -0.904 119.676 120.570 0.016 0.000 2.226 168 I HA -0.245 3.924 4.170 -0.000 0.000 0.245 168 I C 2.645 178.913 176.117 0.252 0.000 1.100 168 I CA 1.005 62.381 61.300 0.128 0.000 1.374 168 I CB -0.278 37.824 38.000 0.169 0.000 1.057 168 I HN 0.184 nan 8.210 nan 0.000 0.413 169 R N 0.914 121.540 120.500 0.210 0.000 2.092 169 R HA -0.038 4.302 4.340 -0.000 0.000 0.231 169 R C 2.313 178.792 176.300 0.299 0.000 1.119 169 R CA 1.446 57.721 56.100 0.292 0.000 0.970 169 R CB -1.100 29.398 30.300 0.330 0.000 0.864 169 R HN 0.372 nan 8.270 nan 0.000 0.440 170 A N 0.258 123.221 122.820 0.238 0.000 1.933 170 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 170 A C 2.087 179.754 177.584 0.139 0.000 1.175 170 A CA 1.870 54.050 52.037 0.238 0.000 0.628 170 A CB -0.652 18.396 19.000 0.081 0.000 0.814 170 A HN 0.460 nan 8.150 nan 0.000 0.444 171 H N -1.898 117.175 119.070 0.006 0.000 2.293 171 H HA -0.166 4.390 4.556 -0.000 0.000 0.300 171 H C 1.739 176.990 175.328 -0.128 0.000 1.082 171 H CA 2.299 58.281 56.048 -0.110 0.000 1.308 171 H CB -0.386 29.219 29.762 -0.262 0.000 1.375 171 H HN 0.491 nan 8.280 nan 0.000 0.495 172 Y N 0.708 121.011 120.300 0.005 0.000 2.293 172 Y HA -0.055 4.495 4.550 -0.000 0.000 0.291 172 Y C 2.185 178.057 175.900 -0.046 0.000 1.137 172 Y CA 1.472 59.545 58.100 -0.045 0.000 1.202 172 Y CB 0.055 38.549 38.460 0.056 0.000 0.990 172 Y HN 0.434 nan 8.280 nan 0.000 0.537 173 E N -1.240 119.042 120.200 0.137 0.000 2.474 173 E HA 0.157 4.506 4.350 -0.000 0.000 0.194 173 E C 1.340 177.962 176.600 0.037 0.000 1.041 173 E CA 0.422 56.873 56.400 0.086 0.000 0.874 173 E CB 0.132 29.891 29.700 0.099 0.000 0.914 173 E HN 0.426 nan 8.360 nan 0.000 0.498 174 G N 2.420 111.220 108.800 -0.000 0.000 2.198 174 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.257 174 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.257 174 G C -0.076 174.848 174.900 0.040 0.000 1.042 174 G CA 0.124 45.218 45.100 -0.011 0.000 0.791 174 G HN 0.113 nan 8.290 nan 0.000 0.502 175 R N -0.223 120.330 120.500 0.088 0.000 2.536 175 R HA 0.606 4.946 4.340 -0.000 0.000 0.279 175 R C 0.380 176.773 176.300 0.154 0.000 1.001 175 R CA -0.144 56.035 56.100 0.133 0.000 1.027 175 R CB 1.389 31.808 30.300 0.197 0.000 1.096 175 R HN 0.215 nan 8.270 nan 0.000 0.502 176 S N 1.339 117.142 115.700 0.171 0.000 2.562 176 S HA 0.225 4.695 4.470 -0.000 0.000 0.275 176 S C 0.869 175.623 174.600 0.256 0.000 1.281 176 S CA -0.644 57.658 58.200 0.170 0.000 1.045 176 S CB 0.561 63.843 63.200 0.137 0.000 0.962 176 S HN 0.528 nan 8.310 nan 0.000 0.503 177 L N 3.080 124.418 121.223 0.192 0.000 2.628 177 L HA 0.302 4.642 4.340 -0.000 0.000 0.229 177 L C 1.012 178.013 176.870 0.218 0.000 1.137 177 L CA 0.124 55.111 54.840 0.245 0.000 0.909 177 L CB -0.073 42.022 42.059 0.060 0.000 1.137 177 L HN 0.708 nan 8.230 nan 0.000 0.470 178 E N 1.033 121.317 120.200 0.140 0.000 2.029 178 E HA 0.270 4.620 4.350 -0.000 0.000 0.276 178 E C 0.855 177.451 176.600 -0.007 0.000 1.163 178 E CA 0.589 57.013 56.400 0.040 0.000 0.909 178 E CB 0.202 29.914 29.700 0.021 0.000 1.046 178 E HN 0.336 nan 8.360 nan 0.000 0.406 179 G N 4.069 112.798 108.800 -0.118 0.000 2.672 179 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.197 179 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.197 179 G C -0.119 174.363 174.900 -0.697 0.000 0.995 179 G CA -0.367 44.483 45.100 -0.416 0.000 0.754 179 G HN 0.468 nan 8.290 nan 0.000 0.505 180 F N 1.695 121.645 119.950 0.000 0.000 2.577 180 F HA 0.365 4.892 4.527 -0.000 0.000 0.342 180 F C -1.045 174.713 175.800 -0.070 0.000 1.479 180 F CA -1.632 56.358 58.000 -0.017 0.000 1.110 180 F CB 1.529 40.521 39.000 -0.014 0.000 1.306 180 F HN -0.075 nan 8.300 nan 0.000 0.554 181 P HA -0.240 nan 4.420 nan 0.000 0.218 181 P C 1.627 178.905 177.300 -0.036 0.000 1.148 181 P CA 1.903 64.980 63.100 -0.039 0.000 0.822 181 P CB 0.241 31.908 31.700 -0.055 0.000 0.784 182 K N 0.265 120.664 120.400 -0.002 0.000 2.097 182 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 182 K C 2.183 178.775 176.600 -0.014 0.000 1.050 182 K CA 1.335 57.613 56.287 -0.014 0.000 0.938 182 K CB -1.519 30.972 32.500 -0.014 0.000 0.718 182 K HN 0.168 nan 8.250 nan 0.000 0.442 183 I N -0.195 120.383 120.570 0.013 0.000 2.286 183 I HA -0.147 4.022 4.170 -0.000 0.000 0.245 183 I C 2.893 178.968 176.117 -0.069 0.000 1.104 183 I CA 1.023 62.301 61.300 -0.036 0.000 1.397 183 I CB -0.055 37.889 38.000 -0.094 0.000 1.072 183 I HN 0.336 nan 8.210 nan 0.000 0.417 184 R N 1.000 121.438 120.500 -0.102 0.000 2.096 184 R HA -0.224 4.116 4.340 -0.000 0.000 0.235 184 R C 2.217 178.367 176.300 -0.249 0.000 1.127 184 R CA 1.677 57.621 56.100 -0.260 0.000 0.968 184 R CB -0.148 29.909 30.300 -0.406 0.000 0.861 184 R HN 0.383 nan 8.270 nan 0.000 0.440 185 E N -0.205 119.917 120.200 -0.129 0.000 2.072 185 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 185 E C 1.670 178.275 176.600 0.009 0.000 0.985 185 E CA 1.057 57.441 56.400 -0.027 0.000 0.801 185 E CB -0.055 29.647 29.700 0.003 0.000 0.750 185 E HN 0.448 nan 8.360 nan 0.000 0.452 186 A N 0.824 123.641 122.820 -0.005 0.000 2.015 186 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 186 A C 2.206 179.797 177.584 0.011 0.000 1.163 186 A CA 1.576 53.614 52.037 0.003 0.000 0.646 186 A CB -0.352 18.639 19.000 -0.014 0.000 0.806 186 A HN 0.385 nan 8.150 nan 0.000 0.448 187 A N -1.628 121.214 122.820 0.037 0.000 1.943 187 A HA 0.322 4.642 4.320 -0.000 0.000 0.213 187 A C 1.777 179.369 177.584 0.014 0.000 1.181 187 A CA 0.926 52.997 52.037 0.057 0.000 0.653 187 A CB -0.389 18.688 19.000 0.128 0.000 0.833 187 A HN 0.379 nan 8.150 nan 0.000 0.451 188 F N -1.709 118.007 119.950 -0.390 0.000 2.179 188 F HA 0.143 4.670 4.527 -0.000 0.000 0.292 188 F C 0.369 175.502 175.800 -1.110 0.000 1.089 188 F CA 0.477 58.004 58.000 -0.789 0.000 1.295 188 F CB -0.231 38.157 39.000 -1.021 0.000 1.041 188 F HN 0.216 nan 8.300 nan 0.000 0.487 189 Y N 0.361 120.595 120.300 -0.110 0.000 2.470 189 Y HA 0.333 4.883 4.550 -0.000 0.000 0.352 189 Y C -2.246 173.640 175.900 -0.022 0.000 0.967 189 Y CA -3.244 54.597 58.100 -0.432 0.000 1.121 189 Y CB -0.373 37.694 38.460 -0.655 0.000 1.149 189 Y HN -0.132 nan 8.280 nan 0.000 0.641 190 P HA 0.029 nan 4.420 nan 0.000 0.225 190 P C 0.009 177.421 177.300 0.187 0.000 1.768 190 P CA 0.057 63.244 63.100 0.144 0.000 0.943 190 P CB 0.196 31.936 31.700 0.067 0.000 1.936 191 L N 3.676 125.076 121.223 0.294 0.000 2.455 191 L HA 0.235 4.574 4.340 -0.000 0.000 0.272 191 L C -1.873 175.040 176.870 0.072 0.000 1.174 191 L CA -1.530 53.415 54.840 0.175 0.000 0.869 191 L CB -0.262 41.936 42.059 0.231 0.000 1.130 191 L HN 0.087 nan 8.230 nan 0.000 0.474 192 P HA 0.117 nan 4.420 nan 0.000 0.272 192 P C -1.270 176.052 177.300 0.037 0.000 1.230 192 P CA -0.318 62.802 63.100 0.034 0.000 0.788 192 P CB 0.511 32.230 31.700 0.032 0.000 0.949 193 R N 1.777 122.305 120.500 0.046 0.000 2.202 193 R HA 0.283 4.623 4.340 -0.000 0.000 0.334 193 R C 1.457 177.780 176.300 0.038 0.000 1.036 193 R CA -0.590 55.536 56.100 0.043 0.000 0.878 193 R CB 0.528 30.860 30.300 0.053 0.000 1.067 193 R HN 0.475 nan 8.270 nan 0.000 0.457 194 L N 2.188 123.426 121.223 0.027 0.000 2.191 194 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 194 L C 1.437 178.318 176.870 0.019 0.000 1.103 194 L CA 1.162 56.013 54.840 0.019 0.000 0.769 194 L CB -0.160 41.904 42.059 0.008 0.000 0.908 194 L HN 0.581 nan 8.230 nan 0.000 0.438 195 E N 0.483 120.697 120.200 0.024 0.000 2.187 195 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 195 E C 2.140 178.755 176.600 0.025 0.000 1.004 195 E CA 1.134 57.548 56.400 0.024 0.000 0.813 195 E CB -0.534 29.185 29.700 0.031 0.000 0.736 195 E HN 0.409 nan 8.360 nan 0.000 0.468 196 L N -0.040 121.204 121.223 0.036 0.000 2.137 196 L HA -0.232 4.107 4.340 -0.000 0.000 0.213 196 L C 2.128 179.011 176.870 0.023 0.000 1.085 196 L CA 0.982 55.846 54.840 0.039 0.000 0.760 196 L CB -0.484 41.607 42.059 0.055 0.000 0.893 196 L HN 0.197 nan 8.230 nan 0.000 0.434 197 L N -0.690 120.541 121.223 0.014 0.000 2.353 197 L HA -0.163 4.177 4.340 -0.000 0.000 0.220 197 L C 2.715 179.583 176.870 -0.002 0.000 1.133 197 L CA 0.658 55.499 54.840 0.002 0.000 0.798 197 L CB -0.724 41.330 42.059 -0.008 0.000 0.922 197 L HN 0.262 nan 8.230 nan 0.000 0.445 198 A N 0.102 122.922 122.820 0.001 0.000 2.070 198 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 198 A C 1.999 179.578 177.584 -0.008 0.000 1.159 198 A CA 1.077 53.112 52.037 -0.003 0.000 0.656 198 A CB -0.428 18.572 19.000 -0.001 0.000 0.800 198 A HN 0.457 nan 8.150 nan 0.000 0.453 199 L N -0.227 120.992 121.223 -0.008 0.000 2.611 199 L HA 0.120 4.460 4.340 -0.000 0.000 0.229 199 L C 1.067 177.932 176.870 -0.009 0.000 1.137 199 L CA -0.262 54.569 54.840 -0.015 0.000 0.901 199 L CB -0.171 41.876 42.059 -0.021 0.000 1.098 199 L HN 0.277 nan 8.230 nan 0.000 0.456 200 S N 0.465 116.162 115.700 -0.005 0.000 2.546 200 S HA 0.249 4.719 4.470 -0.000 0.000 0.290 200 S C 1.404 176.004 174.600 0.000 0.000 1.290 200 S CA 0.901 59.099 58.200 -0.002 0.000 1.069 200 S CB 0.446 63.642 63.200 -0.007 0.000 0.846 200 S HN 0.684 nan 8.310 nan 0.000 0.495 201 G N 3.667 112.471 108.800 0.007 0.000 2.253 201 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.251 201 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.251 201 G C 0.686 175.590 174.900 0.007 0.000 0.998 201 G CA 0.534 45.641 45.100 0.011 0.000 0.621 201 G HN 0.666 nan 8.290 nan 0.000 0.524 202 L N 0.339 121.561 121.223 -0.001 0.000 2.145 202 L HA 0.370 4.709 4.340 -0.000 0.000 0.201 202 L C 1.936 178.804 176.870 -0.004 0.000 1.075 202 L CA 0.190 55.026 54.840 -0.007 0.000 0.773 202 L CB -0.512 41.533 42.059 -0.023 0.000 0.936 202 L HN 0.188 nan 8.230 nan 0.000 0.451 203 L N 0.073 121.295 121.223 -0.002 0.000 2.479 203 L HA -0.002 4.338 4.340 -0.000 0.000 0.270 203 L C 1.547 178.430 176.870 0.022 0.000 1.236 203 L CA -0.071 54.774 54.840 0.009 0.000 0.823 203 L CB 0.152 42.220 42.059 0.014 0.000 1.098 203 L HN 0.066 nan 8.230 nan 0.000 0.500 204 R N 0.380 120.898 120.500 0.030 0.000 2.128 204 R HA 0.267 4.607 4.340 -0.000 0.000 0.211 204 R C 0.215 176.538 176.300 0.037 0.000 1.067 204 R CA 0.890 57.010 56.100 0.033 0.000 1.010 204 R CB 0.328 30.648 30.300 0.034 0.000 0.922 204 R HN 0.829 nan 8.270 nan 0.000 0.457 205 G N -1.508 107.317 108.800 0.041 0.000 2.550 205 G HA2 0.451 4.410 3.960 -0.000 0.000 0.293 205 G HA3 0.451 4.410 3.960 -0.000 0.000 0.293 205 G C -1.548 173.383 174.900 0.052 0.000 1.402 205 G CA -0.119 45.007 45.100 0.043 0.000 0.784 205 G HN 0.372 nan 8.290 nan 0.000 0.482 206 S N -1.125 114.607 115.700 0.054 0.000 2.588 206 S HA 0.823 5.293 4.470 -0.000 0.000 0.269 206 S C -1.809 172.831 174.600 0.067 0.000 1.157 206 S CA -0.870 57.371 58.200 0.068 0.000 0.824 206 S CB 1.990 65.233 63.200 0.072 0.000 1.126 206 S HN 0.996 nan 8.310 nan 0.000 0.464 207 L N 1.757 123.030 121.223 0.084 0.000 2.493 207 L HA 0.573 4.913 4.340 -0.000 0.000 0.265 207 L C -1.339 175.591 176.870 0.100 0.000 0.954 207 L CA -0.225 54.662 54.840 0.078 0.000 0.844 207 L CB 1.714 43.816 42.059 0.072 0.000 1.302 207 L HN 0.942 nan 8.230 nan 0.000 0.405 208 D N 0.964 121.410 120.400 0.076 0.000 2.232 208 D HA 0.262 4.902 4.640 -0.000 0.000 0.242 208 D C -0.226 176.077 176.300 0.006 0.000 1.093 208 D CA 0.300 54.342 54.000 0.069 0.000 0.845 208 D CB 1.526 42.376 40.800 0.083 0.000 1.124 208 D HN 0.410 nan 8.370 nan 0.000 0.467 209 S N 1.902 117.600 115.700 -0.004 0.000 2.404 209 S HA 0.335 4.805 4.470 -0.000 0.000 0.309 209 S C 0.725 175.135 174.600 -0.316 0.000 1.076 209 S CA -0.311 57.852 58.200 -0.062 0.000 1.095 209 S CB 0.076 63.365 63.200 0.148 0.000 0.972 209 S HN 0.462 nan 8.310 nan 0.000 0.484 210 S N 2.697 118.131 115.700 -0.444 0.000 2.593 210 S HA 0.248 4.718 4.470 -0.000 0.000 0.235 210 S C 0.316 174.684 174.600 -0.386 0.000 1.059 210 S CA -0.348 57.364 58.200 -0.814 0.000 0.953 210 S CB 0.137 62.427 63.200 -1.517 0.000 0.897 210 S HN 0.619 nan 8.310 nan 0.000 0.507 211 D N 2.031 122.310 120.400 -0.203 0.000 2.424 211 D HA 0.429 5.069 4.640 -0.000 0.000 0.220 211 D C 0.617 176.909 176.300 -0.014 0.000 1.150 211 D CA 0.550 54.500 54.000 -0.084 0.000 0.831 211 D CB 0.687 41.455 40.800 -0.054 0.000 0.981 211 D HN 0.624 nan 8.370 nan 0.000 0.500 212 G N 1.113 109.906 108.800 -0.012 0.000 3.055 212 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.685 212 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.685 212 G C 0.210 175.153 174.900 0.071 0.000 1.212 212 G CA -0.658 44.470 45.100 0.047 0.000 0.822 212 G HN 0.088 nan 8.290 nan 0.000 0.610 213 L N 2.535 123.818 121.223 0.100 0.000 2.012 213 L HA 0.191 4.530 4.340 -0.000 0.000 0.210 213 L C 3.035 179.925 176.870 0.034 0.000 1.073 213 L CA 3.624 58.536 54.840 0.119 0.000 0.748 213 L CB -0.903 41.217 42.059 0.102 0.000 0.891 213 L HN 1.552 nan 8.230 nan 0.000 0.431 214 A N -0.687 122.109 122.820 -0.041 0.000 1.908 214 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 214 A C 2.247 179.981 177.584 0.249 0.000 1.181 214 A CA 1.906 53.973 52.037 0.050 0.000 0.627 214 A CB -0.819 18.150 19.000 -0.052 0.000 0.818 214 A HN 0.596 nan 8.150 nan 0.000 0.445 215 E N -0.110 120.202 120.200 0.188 0.000 2.051 215 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 215 E C 1.969 178.674 176.600 0.175 0.000 0.991 215 E CA 2.238 58.749 56.400 0.185 0.000 0.799 215 E CB -0.818 28.943 29.700 0.102 0.000 0.748 215 E HN 0.502 nan 8.360 nan 0.000 0.449 216 T N 1.206 115.830 114.554 0.117 0.000 2.684 216 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 216 T C 1.882 176.629 174.700 0.079 0.000 1.036 216 T CA 1.525 63.679 62.100 0.091 0.000 1.148 216 T CB -0.354 68.570 68.868 0.094 0.000 0.863 216 T HN 0.138 nan 8.240 nan 0.000 0.436 217 L N -1.131 120.123 121.223 0.052 0.000 2.079 217 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 217 L C 2.404 179.215 176.870 -0.099 0.000 1.081 217 L CA 1.439 56.247 54.840 -0.053 0.000 0.752 217 L CB -0.526 41.458 42.059 -0.125 0.000 0.896 217 L HN 0.365 nan 8.230 nan 0.000 0.433 218 W N 0.091 121.380 121.300 -0.018 0.000 2.467 218 W HA -0.105 4.555 4.660 -0.000 0.000 0.275 218 W C 2.716 179.228 176.519 -0.011 0.000 1.239 218 W CA 0.585 57.918 57.345 -0.020 0.000 1.266 218 W CB -0.068 29.381 29.460 -0.018 0.000 1.112 218 W HN 0.156 nan 8.180 nan 0.000 0.576 219 Q N -0.365 119.550 119.800 0.192 0.000 2.119 219 Q HA -0.190 4.149 4.340 -0.000 0.000 0.201 219 Q C 2.167 178.207 176.000 0.066 0.000 0.972 219 Q CA 1.347 57.219 55.803 0.115 0.000 0.847 219 Q CB -0.511 28.275 28.738 0.080 0.000 0.903 219 Q HN 0.242 nan 8.270 nan 0.000 0.433 220 L N 0.592 121.836 121.223 0.034 0.000 2.005 220 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 220 L C 2.157 179.016 176.870 -0.019 0.000 1.072 220 L CA 2.179 57.020 54.840 0.002 0.000 0.744 220 L CB -0.965 41.082 42.059 -0.020 0.000 0.895 220 L HN 0.106 nan 8.230 nan 0.000 0.433 221 A N -0.708 122.070 122.820 -0.071 0.000 1.948 221 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 221 A C 1.883 179.464 177.584 -0.006 0.000 1.177 221 A CA 1.998 53.970 52.037 -0.108 0.000 0.636 221 A CB -1.030 17.777 19.000 -0.323 0.000 0.815 221 A HN 0.584 nan 8.150 nan 0.000 0.449 222 D N -0.295 120.143 120.400 0.063 0.000 2.392 222 D HA -0.022 4.618 4.640 -0.000 0.000 0.228 222 D C 1.504 177.833 176.300 0.049 0.000 1.003 222 D CA 0.422 54.474 54.000 0.086 0.000 0.917 222 D CB -0.195 40.675 40.800 0.116 0.000 0.890 222 D HN 0.501 nan 8.370 nan 0.000 0.532 223 L N -0.813 120.428 121.223 0.029 0.000 2.395 223 L HA 0.097 4.437 4.340 -0.000 0.000 0.218 223 L C 1.301 178.183 176.870 0.020 0.000 1.130 223 L CA 0.684 55.536 54.840 0.021 0.000 0.826 223 L CB 0.052 42.120 42.059 0.015 0.000 0.941 223 L HN 0.159 nan 8.230 nan 0.000 0.451 224 G N 0.320 109.131 108.800 0.019 0.000 2.247 224 G HA2 -0.042 3.917 3.960 -0.000 0.000 0.111 224 G HA3 -0.042 3.917 3.960 -0.000 0.000 0.111 224 G C -0.297 174.609 174.900 0.010 0.000 1.045 224 G CA -0.164 44.947 45.100 0.019 0.000 0.715 224 G HN 0.176 nan 8.290 nan 0.000 0.485 225 V N -3.031 116.882 119.914 -0.002 0.000 3.202 225 V HA 1.038 5.158 4.120 -0.000 0.000 0.306 225 V C 0.454 176.529 176.094 -0.031 0.000 1.283 225 V CA -0.349 61.944 62.300 -0.011 0.000 1.065 225 V CB 1.494 33.309 31.823 -0.014 0.000 1.079 225 V HN 1.455 nan 8.190 nan 0.000 0.448 226 G N -0.439 108.347 108.800 -0.023 0.000 2.434 226 G HA2 0.658 4.618 3.960 -0.000 0.000 0.330 226 G HA3 0.658 4.618 3.960 -0.000 0.000 0.330 226 G C -1.276 173.594 174.900 -0.049 0.000 1.155 226 G CA -0.820 44.268 45.100 -0.019 0.000 0.917 226 G HN 1.190 nan 8.290 nan 0.000 0.493 227 V N 0.968 120.837 119.914 -0.076 0.000 2.483 227 V HA 0.439 4.559 4.120 -0.000 0.000 0.297 227 V C -0.793 175.285 176.094 -0.027 0.000 1.027 227 V CA -0.720 61.521 62.300 -0.098 0.000 0.855 227 V CB 1.596 33.294 31.823 -0.208 0.000 0.995 227 V HN 0.849 nan 8.190 nan 0.000 0.424 228 E N 4.528 124.715 120.200 -0.021 0.000 2.145 228 E HA 0.531 4.881 4.350 -0.000 0.000 0.262 228 E C -1.279 175.299 176.600 -0.038 0.000 0.883 228 E CA -0.400 56.002 56.400 0.003 0.000 0.748 228 E CB 1.760 31.450 29.700 -0.017 0.000 1.140 228 E HN 0.386 nan 8.360 nan 0.000 0.417 229 V N 4.552 124.446 119.914 -0.033 0.000 2.432 229 V HA 0.469 4.589 4.120 -0.000 0.000 0.275 229 V C 1.245 177.317 176.094 -0.037 0.000 1.043 229 V CA 0.669 62.937 62.300 -0.053 0.000 0.925 229 V CB 0.610 32.393 31.823 -0.066 0.000 0.985 229 V HN 0.903 nan 8.190 nan 0.000 0.466 230 E N 3.490 123.661 120.200 -0.049 0.000 2.162 230 E HA 0.630 4.980 4.350 -0.000 0.000 0.193 230 E C 0.790 177.381 176.600 -0.016 0.000 0.953 230 E CA 0.952 57.326 56.400 -0.043 0.000 0.849 230 E CB 0.409 30.064 29.700 -0.074 0.000 0.810 230 E HN 1.119 nan 8.360 nan 0.000 0.470 231 A N -1.029 121.803 122.820 0.020 0.000 2.594 231 A HA 0.786 5.105 4.320 -0.000 0.000 0.291 231 A C -1.458 176.245 177.584 0.199 0.000 1.105 231 A CA -0.496 51.609 52.037 0.113 0.000 0.694 231 A CB 1.269 20.356 19.000 0.144 0.000 1.291 231 A HN 0.362 nan 8.150 nan 0.000 0.410 232 L N 1.389 122.643 121.223 0.052 0.000 2.422 232 L HA 0.551 4.890 4.340 -0.000 0.000 0.264 232 L C -2.445 174.039 176.870 -0.645 0.000 0.984 232 L CA -1.987 52.652 54.840 -0.335 0.000 0.819 232 L CB 2.891 44.791 42.059 -0.266 0.000 1.330 232 L HN 0.547 nan 8.230 nan 0.000 0.410 233 P HA 0.201 nan 4.420 nan 0.000 0.276 233 P C -1.096 175.742 177.300 -0.770 0.000 1.243 233 P CA -0.062 62.356 63.100 -1.136 0.000 0.768 233 P CB 0.904 31.789 31.700 -1.358 0.000 0.856 234 L N 4.784 125.700 121.223 -0.512 0.000 2.408 234 L HA 0.313 4.653 4.340 -0.000 0.000 0.257 234 L C -0.016 176.733 176.870 -0.202 0.000 1.053 234 L CA -1.069 53.580 54.840 -0.320 0.000 0.922 234 L CB 0.167 42.147 42.059 -0.131 0.000 1.261 234 L HN 0.289 nan 8.230 nan 0.000 0.458 235 Y N 2.378 122.701 120.300 0.038 0.000 2.578 235 Y HA 0.060 4.610 4.550 -0.000 0.000 0.339 235 Y C -1.176 174.774 175.900 0.084 0.000 1.231 235 Y CA -1.882 56.258 58.100 0.065 0.000 1.461 235 Y CB -0.146 38.359 38.460 0.075 0.000 1.323 235 Y HN 0.351 nan 8.280 nan 0.000 0.590 236 P HA -0.199 nan 4.420 nan 0.000 0.216 236 P C 1.018 178.445 177.300 0.211 0.000 1.150 236 P CA 2.143 65.352 63.100 0.181 0.000 0.843 236 P CB 0.210 31.995 31.700 0.141 0.000 0.787 237 D N -0.859 119.690 120.400 0.248 0.000 2.117 237 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 237 D C 1.835 178.371 176.300 0.393 0.000 0.982 237 D CA 1.078 55.281 54.000 0.338 0.000 0.828 237 D CB -1.138 39.849 40.800 0.312 0.000 0.967 237 D HN 0.052 nan 8.370 nan 0.000 0.464 238 V N 1.283 121.373 119.914 0.293 0.000 2.307 238 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 238 V C 2.874 179.105 176.094 0.228 0.000 1.045 238 V CA 0.973 63.412 62.300 0.231 0.000 1.024 238 V CB -0.626 31.308 31.823 0.186 0.000 0.651 238 V HN 0.172 nan 8.190 nan 0.000 0.449 239 L N -0.040 121.294 121.223 0.184 0.000 2.042 239 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 239 L C 2.661 179.632 176.870 0.169 0.000 1.076 239 L CA 1.872 56.796 54.840 0.140 0.000 0.749 239 L CB -0.577 41.547 42.059 0.108 0.000 0.893 239 L HN 0.407 nan 8.230 nan 0.000 0.432 240 A N -0.722 122.239 122.820 0.236 0.000 1.902 240 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 240 A C 2.083 179.863 177.584 0.327 0.000 1.181 240 A CA 1.610 53.810 52.037 0.272 0.000 0.623 240 A CB -0.799 18.393 19.000 0.320 0.000 0.818 240 A HN 0.465 nan 8.150 nan 0.000 0.443 241 F N 0.861 120.934 119.950 0.206 0.000 2.113 241 F HA 0.012 4.539 4.527 -0.000 0.000 0.297 241 F C 2.528 178.306 175.800 -0.036 0.000 1.103 241 F CA 1.230 59.183 58.000 -0.079 0.000 1.248 241 F CB -0.449 38.266 39.000 -0.475 0.000 0.999 241 F HN 0.239 nan 8.300 nan 0.000 0.475 242 A N -0.167 122.716 122.820 0.105 0.000 1.902 242 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 242 A C 2.166 179.723 177.584 -0.045 0.000 1.181 242 A CA 1.961 54.013 52.037 0.025 0.000 0.623 242 A CB -1.529 17.538 19.000 0.112 0.000 0.818 242 A HN 1.152 nan 8.150 nan 0.000 0.443 243 G N -2.235 106.564 108.800 -0.001 0.000 2.194 243 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.236 243 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.236 243 G C 0.347 175.254 174.900 0.013 0.000 0.987 243 G CA 0.790 45.886 45.100 -0.007 0.000 0.635 243 G HN 2.179 nan 8.290 nan 0.000 0.520 244 S N -1.692 114.023 115.700 0.025 0.000 2.611 244 S HA 0.583 5.052 4.470 -0.000 0.000 0.270 244 S C 0.257 174.876 174.600 0.032 0.000 1.131 244 S CA 0.498 58.713 58.200 0.026 0.000 0.826 244 S CB 1.408 64.618 63.200 0.017 0.000 1.095 244 S HN 0.377 nan 8.310 nan 0.000 0.461 245 E N 0.501 120.717 120.200 0.027 0.000 2.153 245 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 245 E C 2.116 178.729 176.600 0.023 0.000 0.988 245 E CA 1.755 58.169 56.400 0.022 0.000 0.811 245 E CB -0.387 29.323 29.700 0.017 0.000 0.746 245 E HN 0.810 nan 8.360 nan 0.000 0.466 246 E N 0.583 120.799 120.200 0.026 0.000 2.047 246 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 246 E C 1.942 178.567 176.600 0.042 0.000 0.987 246 E CA 1.330 57.749 56.400 0.032 0.000 0.799 246 E CB -0.866 28.851 29.700 0.028 0.000 0.752 246 E HN 0.449 nan 8.360 nan 0.000 0.449 247 A N 0.819 123.662 122.820 0.040 0.000 1.930 247 A HA 0.288 4.608 4.320 -0.000 0.000 0.217 247 A C 2.809 180.435 177.584 0.069 0.000 1.175 247 A CA 2.320 54.387 52.037 0.050 0.000 0.627 247 A CB -0.655 18.364 19.000 0.032 0.000 0.815 247 A HN 0.964 nan 8.150 nan 0.000 0.443 248 A N -0.311 122.545 122.820 0.060 0.000 1.902 248 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 248 A C 2.146 179.750 177.584 0.034 0.000 1.181 248 A CA 1.446 53.519 52.037 0.060 0.000 0.623 248 A CB -0.600 18.427 19.000 0.044 0.000 0.818 248 A HN 0.458 nan 8.150 nan 0.000 0.443 249 L N -0.795 120.440 121.223 0.019 0.000 2.131 249 L HA -0.211 4.128 4.340 -0.000 0.000 0.210 249 L C 2.620 179.504 176.870 0.023 0.000 1.092 249 L CA 1.733 56.571 54.840 -0.004 0.000 0.759 249 L CB -0.310 41.748 42.059 -0.001 0.000 0.903 249 L HN 0.592 nan 8.230 nan 0.000 0.435 250 E N 0.266 120.520 120.200 0.090 0.000 2.077 250 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 250 E C 2.347 179.042 176.600 0.159 0.000 0.989 250 E CA 0.976 57.489 56.400 0.189 0.000 0.800 250 E CB -0.001 29.806 29.700 0.178 0.000 0.746 250 E HN 0.459 nan 8.360 nan 0.000 0.452 251 L N 0.212 121.503 121.223 0.113 0.000 2.083 251 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 251 L C 2.464 179.376 176.870 0.071 0.000 1.083 251 L CA 0.710 55.613 54.840 0.105 0.000 0.752 251 L CB -0.275 41.849 42.059 0.108 0.000 0.899 251 L HN 0.125 nan 8.230 nan 0.000 0.433 252 V N -0.167 119.763 119.914 0.028 0.000 2.379 252 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 252 V C 2.239 178.308 176.094 -0.042 0.000 1.044 252 V CA 1.416 63.724 62.300 0.013 0.000 1.036 252 V CB -0.168 31.616 31.823 -0.066 0.000 0.664 252 V HN 0.334 nan 8.190 nan 0.000 0.453 253 L N -1.585 119.523 121.223 -0.193 0.000 2.162 253 L HA -0.012 4.328 4.340 -0.000 0.000 0.205 253 L C 1.173 177.672 176.870 -0.619 0.000 1.086 253 L CA 1.225 55.772 54.840 -0.490 0.000 0.778 253 L CB -0.108 41.462 42.059 -0.814 0.000 0.928 253 L HN 0.375 nan 8.230 nan 0.000 0.446 254 Y N -1.145 119.188 120.300 0.055 0.000 2.672 254 Y HA 0.353 4.903 4.550 -0.000 0.000 0.272 254 Y C 1.415 177.341 175.900 0.043 0.000 1.055 254 Y CA -0.413 57.713 58.100 0.043 0.000 1.151 254 Y CB -0.073 38.403 38.460 0.027 0.000 1.190 254 Y HN -0.109 nan 8.280 nan 0.000 0.574 255 G N 0.086 108.961 108.800 0.125 0.000 2.508 255 G HA2 0.400 4.360 3.960 -0.000 0.000 0.212 255 G HA3 0.400 4.360 3.960 -0.000 0.000 0.212 255 G C 0.781 175.728 174.900 0.078 0.000 1.206 255 G CA 0.520 45.681 45.100 0.102 0.000 0.822 255 G HN 0.687 nan 8.290 nan 0.000 0.550 256 G N -1.009 107.820 108.800 0.048 0.000 2.699 256 G HA2 0.144 4.103 3.960 -0.000 0.000 0.686 256 G HA3 0.144 4.103 3.960 -0.000 0.000 0.686 256 G C 0.123 175.015 174.900 -0.012 0.000 1.301 256 G CA 0.118 45.222 45.100 0.008 0.000 0.816 256 G HN 0.903 nan 8.290 nan 0.000 0.595 257 E N -1.113 119.051 120.200 -0.059 0.000 2.791 257 E HA -0.207 4.143 4.350 -0.000 0.000 0.271 257 E C 1.249 177.885 176.600 0.059 0.000 1.044 257 E CA 1.845 58.268 56.400 0.038 0.000 0.814 257 E CB -1.219 28.561 29.700 0.132 0.000 1.400 257 E HN 0.767 nan 8.360 nan 0.000 0.423 258 E N -0.762 119.359 120.200 -0.132 0.000 2.076 258 E HA 0.078 4.428 4.350 -0.000 0.000 0.190 258 E C 0.629 177.174 176.600 -0.091 0.000 0.979 258 E CA 0.550 56.822 56.400 -0.213 0.000 0.807 258 E CB -0.099 29.278 29.700 -0.538 0.000 0.761 258 E HN 0.336 nan 8.360 nan 0.000 0.454 259 F N 0.736 120.573 119.950 -0.188 0.000 3.074 259 F HA -0.236 4.291 4.527 -0.000 0.000 0.287 259 F C -0.220 175.481 175.800 -0.165 0.000 0.932 259 F CA 0.596 58.528 58.000 -0.114 0.000 0.995 259 F CB -1.157 37.816 39.000 -0.045 0.000 0.966 259 F HN -0.036 nan 8.300 nan 0.000 0.721 260 E N 0.036 120.095 120.200 -0.234 0.000 2.244 260 E HA 0.801 5.151 4.350 -0.000 0.000 0.266 260 E C 0.012 176.634 176.600 0.037 0.000 0.914 260 E CA -0.477 55.778 56.400 -0.241 0.000 0.794 260 E CB 2.002 31.182 29.700 -0.867 0.000 1.210 260 E HN 0.155 nan 8.360 nan 0.000 0.414 261 A N 1.488 124.446 122.820 0.230 0.000 2.316 261 A HA 0.489 4.809 4.320 -0.000 0.000 0.284 261 A C -0.299 177.535 177.584 0.416 0.000 1.115 261 A CA -0.538 51.668 52.037 0.282 0.000 0.812 261 A CB 0.740 19.855 19.000 0.192 0.000 1.064 261 A HN 0.299 nan 8.150 nan 0.000 0.489 262 V N 3.215 123.304 119.914 0.291 0.000 2.384 262 V HA 0.366 4.486 4.120 -0.000 0.000 0.287 262 V C -0.253 175.934 176.094 0.154 0.000 1.020 262 V CA -0.172 62.250 62.300 0.204 0.000 0.850 262 V CB 1.009 32.916 31.823 0.140 0.000 0.987 262 V HN 0.719 nan 8.190 nan 0.000 0.436 263 L N 5.244 126.562 121.223 0.160 0.000 2.325 263 L HA 0.652 4.991 4.340 -0.000 0.000 0.278 263 L C -0.588 176.366 176.870 0.140 0.000 1.023 263 L CA -0.959 53.964 54.840 0.139 0.000 0.811 263 L CB 2.099 44.237 42.059 0.132 0.000 1.249 263 L HN 0.311 nan 8.230 nan 0.000 0.431 264 V N 3.679 123.653 119.914 0.100 0.000 2.311 264 V HA 0.323 4.443 4.120 -0.000 0.000 0.275 264 V C 0.021 176.167 176.094 0.088 0.000 1.022 264 V CA -0.549 61.804 62.300 0.089 0.000 0.830 264 V CB 1.503 33.359 31.823 0.056 0.000 1.012 264 V HN 0.429 nan 8.190 nan 0.000 0.452 265 V N 7.734 127.724 119.914 0.128 0.000 2.459 265 V HA 0.451 4.571 4.120 -0.000 0.000 0.295 265 V C -2.109 174.035 176.094 0.083 0.000 1.029 265 V CA -2.092 60.264 62.300 0.094 0.000 0.874 265 V CB 2.195 34.078 31.823 0.100 0.000 0.985 265 V HN 0.663 nan 8.190 nan 0.000 0.438 266 P HA 0.067 nan 4.420 nan 0.000 0.271 266 P C 0.374 177.700 177.300 0.044 0.000 1.216 266 P CA 0.043 63.166 63.100 0.038 0.000 0.771 266 P CB 1.163 32.876 31.700 0.023 0.000 0.864 267 Q N 2.794 122.618 119.800 0.040 0.000 2.096 267 Q HA -0.260 4.080 4.340 -0.000 0.000 0.208 267 Q C 1.919 177.938 176.000 0.032 0.000 0.993 267 Q CA 2.380 58.207 55.803 0.039 0.000 0.862 267 Q CB -0.134 28.617 28.738 0.022 0.000 0.915 267 Q HN 0.516 nan 8.270 nan 0.000 0.416 268 E N -0.804 119.408 120.200 0.020 0.000 2.028 268 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 268 E C 2.003 178.609 176.600 0.010 0.000 0.988 268 E CA 1.477 57.885 56.400 0.013 0.000 0.799 268 E CB -1.080 28.625 29.700 0.008 0.000 0.755 268 E HN 0.460 nan 8.360 nan 0.000 0.447 269 G N 1.218 110.021 108.800 0.006 0.000 2.564 269 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 269 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 269 G C 1.650 176.539 174.900 -0.020 0.000 1.124 269 G CA 1.243 46.339 45.100 -0.007 0.000 0.764 269 G HN 0.488 nan 8.290 nan 0.000 0.550 270 A N 1.541 124.364 122.820 0.004 0.000 1.859 270 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 270 A C 2.883 180.453 177.584 -0.022 0.000 1.209 270 A CA 2.689 54.732 52.037 0.010 0.000 0.639 270 A CB -1.138 17.925 19.000 0.105 0.000 0.835 270 A HN 0.944 nan 8.150 nan 0.000 0.450 271 A N -0.569 122.253 122.820 0.004 0.000 1.940 271 A HA 0.100 4.420 4.320 -0.000 0.000 0.219 271 A C 2.491 180.061 177.584 -0.023 0.000 1.176 271 A CA 2.416 54.451 52.037 -0.003 0.000 0.631 271 A CB -1.023 17.980 19.000 0.004 0.000 0.814 271 A HN 1.234 nan 8.150 nan 0.000 0.446 272 A N -0.814 121.990 122.820 -0.027 0.000 1.930 272 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 272 A C 2.204 179.758 177.584 -0.051 0.000 1.175 272 A CA 1.667 53.686 52.037 -0.031 0.000 0.627 272 A CB -0.700 18.286 19.000 -0.024 0.000 0.815 272 A HN 0.371 nan 8.150 nan 0.000 0.443 273 V N 0.015 119.878 119.914 -0.086 0.000 2.379 273 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 273 V C 2.316 178.324 176.094 -0.143 0.000 1.044 273 V CA 2.086 64.306 62.300 -0.134 0.000 1.036 273 V CB -0.755 30.933 31.823 -0.225 0.000 0.664 273 V HN 0.624 nan 8.190 nan 0.000 0.453 274 E N 0.295 120.409 120.200 -0.143 0.000 2.204 274 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 274 E C 2.271 178.849 176.600 -0.037 0.000 0.989 274 E CA 1.143 57.490 56.400 -0.088 0.000 0.824 274 E CB -0.247 29.436 29.700 -0.028 0.000 0.756 274 E HN 0.609 nan 8.360 nan 0.000 0.477 275 A N 1.244 124.044 122.820 -0.033 0.000 1.898 275 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 275 A C 2.100 179.675 177.584 -0.015 0.000 1.181 275 A CA 1.165 53.192 52.037 -0.016 0.000 0.620 275 A CB -0.217 18.775 19.000 -0.014 0.000 0.819 275 A HN -0.018 nan 8.150 nan 0.000 0.442 276 R N 0.040 120.524 120.500 -0.025 0.000 2.070 276 R HA -0.022 4.318 4.340 -0.000 0.000 0.232 276 R C 2.362 178.655 176.300 -0.012 0.000 1.138 276 R CA 1.839 57.927 56.100 -0.019 0.000 0.936 276 R CB -1.092 29.191 30.300 -0.028 0.000 0.839 276 R HN 0.433 nan 8.270 nan 0.000 0.429 277 A N 0.363 123.172 122.820 -0.019 0.000 1.948 277 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 277 A C 2.388 179.982 177.584 0.017 0.000 1.177 277 A CA 2.800 54.837 52.037 0.001 0.000 0.636 277 A CB -0.998 18.000 19.000 -0.003 0.000 0.815 277 A HN 0.448 nan 8.150 nan 0.000 0.449 278 K N -0.626 119.782 120.400 0.013 0.000 2.026 278 K HA 0.164 4.484 4.320 -0.000 0.000 0.208 278 K C 2.448 179.058 176.600 0.018 0.000 1.048 278 K CA 2.025 58.324 56.287 0.021 0.000 0.929 278 K CB -1.467 31.043 32.500 0.017 0.000 0.713 278 K HN 0.942 nan 8.250 nan 0.000 0.439 279 A N 1.001 123.828 122.820 0.010 0.000 1.865 279 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 279 A C 2.642 180.232 177.584 0.011 0.000 1.191 279 A CA 3.103 55.145 52.037 0.009 0.000 0.623 279 A CB -0.942 18.060 19.000 0.004 0.000 0.826 279 A HN 0.719 nan 8.150 nan 0.000 0.444 280 K N -1.351 119.055 120.400 0.011 0.000 2.504 280 K HA 0.326 4.646 4.320 -0.000 0.000 0.195 280 K C 1.654 178.266 176.600 0.020 0.000 1.036 280 K CA 1.434 57.729 56.287 0.014 0.000 0.984 280 K CB -1.390 31.117 32.500 0.012 0.000 0.788 280 K HN 2.103 nan 8.250 nan 0.000 0.488 281 G N -0.207 108.608 108.800 0.025 0.000 2.160 281 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.244 281 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.244 281 G C 0.051 174.977 174.900 0.044 0.000 1.022 281 G CA 0.128 45.248 45.100 0.033 0.000 0.741 281 G HN 0.935 nan 8.290 nan 0.000 0.508 282 L N 1.563 122.815 121.223 0.049 0.000 2.295 282 L HA 0.627 4.967 4.340 -0.000 0.000 0.288 282 L C -1.719 175.209 176.870 0.096 0.000 1.079 282 L CA -2.136 52.745 54.840 0.067 0.000 0.830 282 L CB 0.383 42.477 42.059 0.058 0.000 1.200 282 L HN -0.079 nan 8.230 nan 0.000 0.438 283 P HA 0.039 nan 4.420 nan 0.000 0.260 283 P C -1.277 176.152 177.300 0.215 0.000 1.172 283 P CA 0.264 63.465 63.100 0.168 0.000 0.760 283 P CB 0.495 32.303 31.700 0.180 0.000 0.773 284 L N 5.506 126.866 121.223 0.229 0.000 2.431 284 L HA 0.681 5.021 4.340 -0.000 0.000 0.266 284 L C -1.644 175.434 176.870 0.346 0.000 0.978 284 L CA -0.707 54.293 54.840 0.267 0.000 0.822 284 L CB 1.501 43.660 42.059 0.166 0.000 1.310 284 L HN 0.199 nan 8.230 nan 0.000 0.409 285 F N 4.235 124.302 119.950 0.196 0.000 2.536 285 F HA 0.546 5.073 4.527 -0.000 0.000 0.322 285 F C -0.258 175.528 175.800 -0.023 0.000 1.144 285 F CA -0.655 57.392 58.000 0.077 0.000 0.924 285 F CB 1.191 40.176 39.000 -0.024 0.000 1.181 285 F HN 0.518 nan 8.300 nan 0.000 0.438 286 R N 4.424 124.601 120.500 -0.538 0.000 2.316 286 R HA 0.535 4.875 4.340 -0.000 0.000 0.314 286 R C -0.000 175.960 176.300 -0.567 0.000 1.069 286 R CA 0.684 56.307 56.100 -0.795 0.000 0.959 286 R CB 1.070 30.929 30.300 -0.734 0.000 0.987 286 R HN 0.893 nan 8.270 nan 0.000 0.446 287 A N 3.207 125.854 122.820 -0.288 0.000 2.127 287 A HA 0.378 4.698 4.320 -0.000 0.000 0.204 287 A C 0.655 178.163 177.584 -0.127 0.000 1.243 287 A CA 0.728 52.734 52.037 -0.051 0.000 0.887 287 A CB 0.724 19.730 19.000 0.009 0.000 0.933 287 A HN 0.836 nan 8.150 nan 0.000 0.479 288 G N -2.067 106.614 108.800 -0.197 0.000 2.435 288 G HA2 0.635 4.595 3.960 -0.000 0.000 0.228 288 G HA3 0.635 4.595 3.960 -0.000 0.000 0.228 288 G C -0.985 173.829 174.900 -0.144 0.000 1.198 288 G CA 0.602 45.613 45.100 -0.147 0.000 0.948 288 G HN 1.125 nan 8.290 nan 0.000 0.487 289 R N -1.747 118.696 120.500 -0.095 0.000 2.716 289 R HA 0.789 5.129 4.340 -0.000 0.000 0.271 289 R C -1.326 174.944 176.300 -0.050 0.000 1.028 289 R CA -0.026 56.033 56.100 -0.068 0.000 0.883 289 R CB 0.923 31.185 30.300 -0.063 0.000 1.250 289 R HN 1.407 nan 8.270 nan 0.000 0.465 290 V N 2.524 122.418 119.914 -0.034 0.000 2.348 290 V HA 0.560 4.680 4.120 -0.000 0.000 0.270 290 V C 0.855 176.933 176.094 -0.026 0.000 1.037 290 V CA -0.103 62.179 62.300 -0.029 0.000 0.872 290 V CB 0.563 32.376 31.823 -0.016 0.000 1.002 290 V HN 0.974 nan 8.190 nan 0.000 0.464 291 V N 2.878 122.775 119.914 -0.028 0.000 3.369 291 V HA 1.002 5.122 4.120 -0.000 0.000 0.301 291 V C 0.468 176.550 176.094 -0.021 0.000 1.184 291 V CA -0.717 61.566 62.300 -0.029 0.000 1.013 291 V CB 1.538 33.336 31.823 -0.042 0.000 1.230 291 V HN 0.844 nan 8.190 nan 0.000 0.464 292 A N -0.611 122.195 122.820 -0.024 0.000 2.271 292 A HA 0.880 5.200 4.320 -0.000 0.000 0.288 292 A C 0.841 178.419 177.584 -0.010 0.000 1.094 292 A CA 0.391 52.419 52.037 -0.015 0.000 0.828 292 A CB 0.008 18.997 19.000 -0.017 0.000 1.091 292 A HN 2.869 nan 8.150 nan 0.000 0.493 293 G N -1.283 107.520 108.800 0.004 0.000 2.445 293 G HA2 0.551 4.511 3.960 -0.000 0.000 0.212 293 G HA3 0.551 4.511 3.960 -0.000 0.000 0.212 293 G C -0.263 174.662 174.900 0.042 0.000 1.217 293 G CA 0.406 45.520 45.100 0.023 0.000 1.002 293 G HN 2.224 nan 8.290 nan 0.000 0.574 294 E N -1.405 118.844 120.200 0.082 0.000 2.429 294 E HA 0.981 5.331 4.350 -0.000 0.000 0.276 294 E C 1.142 177.791 176.600 0.083 0.000 0.953 294 E CA 0.819 57.260 56.400 0.069 0.000 0.787 294 E CB 1.040 30.789 29.700 0.081 0.000 1.307 294 E HN 2.868 nan 8.360 nan 0.000 0.458 295 G N -1.362 107.375 108.800 -0.105 0.000 2.795 295 G HA2 0.254 4.214 3.960 -0.000 0.000 0.664 295 G HA3 0.254 4.214 3.960 -0.000 0.000 0.664 295 G C -0.253 174.174 174.900 -0.788 0.000 1.381 295 G CA -0.328 44.479 45.100 -0.488 0.000 0.853 295 G HN 1.489 nan 8.290 nan 0.000 0.545 296 V N 0.748 119.850 119.914 -1.352 0.000 2.581 296 V HA 0.789 4.909 4.120 -0.000 0.000 0.303 296 V C -0.485 175.104 176.094 -0.841 0.000 1.041 296 V CA -0.591 61.134 62.300 -0.959 0.000 0.907 296 V CB 1.611 32.726 31.823 -1.180 0.000 0.994 296 V HN 0.757 nan 8.190 nan 0.000 0.442 297 Y N 3.340 123.534 120.300 -0.176 0.000 2.512 297 Y HA 0.649 5.199 4.550 -0.000 0.000 0.348 297 Y C -0.483 175.380 175.900 -0.062 0.000 0.990 297 Y CA -0.942 57.114 58.100 -0.073 0.000 1.033 297 Y CB 2.061 40.484 38.460 -0.061 0.000 1.259 297 Y HN 0.501 nan 8.280 nan 0.000 0.461 298 L N 4.629 125.921 121.223 0.115 0.000 2.283 298 L HA 0.543 4.882 4.340 -0.000 0.000 0.281 298 L C 0.062 176.970 176.870 0.064 0.000 1.033 298 L CA -0.557 54.317 54.840 0.056 0.000 0.848 298 L CB 0.033 42.116 42.059 0.040 0.000 1.226 298 L HN 0.734 nan 8.230 nan 0.000 0.429 299 R N 4.123 124.646 120.500 0.039 0.000 3.333 299 R HA -0.225 4.115 4.340 -0.000 0.000 0.256 299 R C 1.012 177.326 176.300 0.024 0.000 1.010 299 R CA 0.634 56.746 56.100 0.019 0.000 0.680 299 R CB -2.168 28.139 30.300 0.012 0.000 1.102 299 R HN 1.225 nan 8.270 nan 0.000 0.440 300 G N -1.910 106.909 108.800 0.033 0.000 2.284 300 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.230 300 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.230 300 G C 0.190 175.137 174.900 0.079 0.000 1.021 300 G CA 0.152 45.246 45.100 -0.010 0.000 0.619 300 G HN 0.948 nan 8.290 nan 0.000 0.510 301 A N 1.120 124.036 122.820 0.161 0.000 2.306 301 A HA 0.802 5.122 4.320 -0.000 0.000 0.314 301 A C -2.218 175.553 177.584 0.312 0.000 1.164 301 A CA -1.318 50.848 52.037 0.214 0.000 0.822 301 A CB 0.891 19.963 19.000 0.120 0.000 1.130 301 A HN 0.124 nan 8.150 nan 0.000 0.496 302 P HA 0.072 nan 4.420 nan 0.000 0.265 302 P C -0.711 176.620 177.300 0.052 0.000 1.187 302 P CA 0.286 63.406 63.100 0.034 0.000 0.766 302 P CB 0.369 32.119 31.700 0.083 0.000 0.820 303 L N 6.015 127.253 121.223 0.025 0.000 2.295 303 L HA 0.409 4.749 4.340 -0.000 0.000 0.281 303 L C -2.355 174.738 176.870 0.371 0.000 1.018 303 L CA -2.468 52.474 54.840 0.171 0.000 0.841 303 L CB 1.575 43.693 42.059 0.099 0.000 1.218 303 L HN 0.213 nan 8.230 nan 0.000 0.424 304 P HA 0.029 nan 4.420 nan 0.000 0.262 304 P C -0.582 176.824 177.300 0.177 0.000 1.182 304 P CA 0.163 63.347 63.100 0.141 0.000 0.761 304 P CB 0.452 32.187 31.700 0.058 0.000 0.795 305 R N 0.000 120.359 120.500 -0.235 0.000 2.786 305 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 305 R CA 0.000 55.855 56.100 -0.408 0.000 0.921 305 R CB 0.000 29.623 30.300 -1.128 0.000 0.687 305 R HN 0.000 nan 8.270 nan 0.000 0.535