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 3ek1_1_G DATA FIRST_RESID 2 DATA SEQUENCE LALKDPSLLK SQCLVNGRWI DAADGTTIKV TNPADGSVIG TVPSLSVATI DATA SEQUENCE KEAIDASAKA LSGWAAKTAK ERAGILRKWF DLIIANADDI ALIMTSEQGK DATA SEQUENCE PLAEARGEVL YAASFIEWFA EEAKRVYGDT IPAPQNGQRL TVIRQPVGVT DATA SEQUENCE AAITPWNFPA AMITRKAAPA LAAGCTMIVR PADLTPLTAL ALGVLAEKAG DATA SEQUENCE IPAGVLQIVT GKAREIGAEL TSNDTVRKLS FTGSTEVGRL LMAQCAPTIK DATA SEQUENCE RISLELGGNA PFIVFDDADL DAAVDGAMVS KYRNAGQTCV CANRIYVQRG DATA SEQUENCE VYDKFAEKLA AKVKELKVGN GTEPGVVIGP MIEEKAITKV KAHIEDAVSK DATA SEQUENCE GAKLITGGKE LGGLFFEPGI LTGVTSDMLV AKEETFGPLA PLFAFDTEEE DATA SEQUENCE VIAQANDTIF GLAAYFYTEN FSRAIRVSEA LEYGMVGHNT GLISNEVAPF DATA SEQUENCE GGVKQSGLGR EGSKYGIEEY LETKYICSAY KR 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 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.867 176.870 -0.005 0.000 1.165 2 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 2 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 3 A N 4.217 127.035 122.820 -0.003 0.000 2.993 3 A HA 0.458 4.778 4.320 0.000 0.000 0.281 3 A C -0.138 177.444 177.584 -0.004 0.000 1.847 3 A CA 0.204 52.239 52.037 -0.004 0.000 1.470 3 A CB -0.812 18.186 19.000 -0.002 0.000 1.028 3 A HN 0.509 nan 8.150 nan 0.000 0.604 4 L N 1.448 122.666 121.223 -0.007 0.000 2.307 4 L HA 0.270 4.610 4.340 0.000 0.000 0.282 4 L C 1.271 178.136 176.870 -0.009 0.000 1.051 4 L CA -0.624 54.212 54.840 -0.008 0.000 0.804 4 L CB 1.474 43.526 42.059 -0.011 0.000 1.197 4 L HN 0.603 nan 8.230 nan 0.000 0.431 5 K N 0.574 120.970 120.400 -0.007 0.000 2.002 5 K HA -0.122 4.198 4.320 0.000 0.000 0.209 5 K C 0.337 176.932 176.600 -0.009 0.000 1.048 5 K CA 1.218 57.501 56.287 -0.007 0.000 0.930 5 K CB 0.068 32.565 32.500 -0.005 0.000 0.714 5 K HN 0.476 nan 8.250 nan 0.000 0.438 6 D N 0.304 120.698 120.400 -0.010 0.000 2.493 6 D HA 0.104 4.744 4.640 0.000 0.000 0.235 6 D C -2.020 174.265 176.300 -0.024 0.000 1.117 6 D CA -2.460 51.531 54.000 -0.015 0.000 0.930 6 D CB 1.172 41.965 40.800 -0.011 0.000 1.010 6 D HN -0.082 nan 8.370 nan 0.000 0.514 7 P HA -0.119 nan 4.420 nan 0.000 0.228 7 P C 1.146 178.413 177.300 -0.056 0.000 1.151 7 P CA 0.576 63.654 63.100 -0.036 0.000 0.770 7 P CB 0.052 31.732 31.700 -0.032 0.000 0.786 8 S N -0.978 114.683 115.700 -0.065 0.000 2.555 8 S HA -0.020 4.450 4.470 0.000 0.000 0.230 8 S C 1.817 176.341 174.600 -0.126 0.000 0.978 8 S CA 0.356 58.494 58.200 -0.105 0.000 0.934 8 S CB -1.404 61.737 63.200 -0.098 0.000 0.766 8 S HN 0.112 nan 8.310 nan 0.000 0.533 9 L N 0.025 121.202 121.223 -0.078 0.000 2.217 9 L HA 0.234 4.574 4.340 0.000 0.000 0.211 9 L C 0.930 177.754 176.870 -0.075 0.000 1.107 9 L CA 0.221 55.023 54.840 -0.062 0.000 0.783 9 L CB -0.327 41.723 42.059 -0.015 0.000 0.919 9 L HN 0.341 nan 8.230 nan 0.000 0.442 10 L N 1.333 122.510 121.223 -0.076 0.000 2.315 10 L HA 0.211 4.551 4.340 0.000 0.000 0.283 10 L C -0.080 176.723 176.870 -0.111 0.000 1.089 10 L CA 0.548 55.349 54.840 -0.066 0.000 0.833 10 L CB 0.044 42.077 42.059 -0.044 0.000 1.170 10 L HN -0.088 nan 8.230 nan 0.000 0.442 11 K N 2.363 122.699 120.400 -0.107 0.000 2.340 11 K HA 0.496 4.816 4.320 0.000 0.000 0.244 11 K C 0.153 176.725 176.600 -0.047 0.000 0.973 11 K CA -0.132 56.063 56.287 -0.153 0.000 0.828 11 K CB 2.033 34.368 32.500 -0.275 0.000 1.226 11 K HN 0.592 nan 8.250 nan 0.000 0.437 12 S N -0.108 115.573 115.700 -0.031 0.000 2.819 12 S HA 0.187 4.657 4.470 0.000 0.000 0.249 12 S C -0.072 174.572 174.600 0.072 0.000 1.030 12 S CA -0.469 57.743 58.200 0.021 0.000 1.052 12 S CB 0.412 63.614 63.200 0.004 0.000 1.017 12 S HN 0.538 nan 8.310 nan 0.000 0.576 13 Q N 0.015 119.898 119.800 0.139 0.000 2.528 13 Q HA 0.608 4.948 4.340 0.000 0.000 0.289 13 Q C -1.162 175.077 176.000 0.398 0.000 1.091 13 Q CA -0.998 54.954 55.803 0.248 0.000 0.797 13 Q CB 1.971 30.890 28.738 0.302 0.000 1.466 13 Q HN 0.367 nan 8.270 nan 0.000 0.436 14 C N 1.044 120.498 119.300 0.257 0.000 2.398 14 C HA 0.436 4.896 4.460 0.000 0.000 0.364 14 C C -0.203 174.685 174.990 -0.169 0.000 1.219 14 C CA -0.570 58.518 59.018 0.116 0.000 2.312 14 C CB 0.036 27.791 27.740 0.024 0.000 2.428 14 C HN 0.623 nan 8.230 nan 0.000 0.564 15 L N 3.683 124.602 121.223 -0.506 0.000 2.268 15 L HA 0.532 4.873 4.340 0.000 0.000 0.289 15 L C -0.513 176.071 176.870 -0.476 0.000 1.064 15 L CA 0.608 54.894 54.840 -0.923 0.000 0.824 15 L CB 0.138 41.573 42.059 -1.040 0.000 1.202 15 L HN 0.542 nan 8.230 nan 0.000 0.433 16 V N 5.181 124.854 119.914 -0.402 0.000 2.443 16 V HA 0.347 4.467 4.120 0.000 0.000 0.293 16 V C 0.310 176.267 176.094 -0.228 0.000 1.021 16 V CA -0.943 61.209 62.300 -0.245 0.000 0.848 16 V CB 1.354 33.086 31.823 -0.153 0.000 0.998 16 V HN 0.796 nan 8.190 nan 0.000 0.424 17 N N 3.969 122.549 118.700 -0.200 0.000 2.705 17 N HA -0.208 4.532 4.740 0.000 0.000 0.255 17 N C 1.100 176.503 175.510 -0.180 0.000 1.008 17 N CA 1.840 54.792 53.050 -0.165 0.000 0.742 17 N CB -0.942 37.477 38.487 -0.113 0.000 0.906 17 N HN 1.695 nan 8.380 nan 0.000 0.541 18 G N -1.120 107.531 108.800 -0.247 0.000 2.162 18 G HA2 -0.354 3.607 3.960 0.000 0.000 0.260 18 G HA3 -0.354 3.607 3.960 0.000 0.000 0.260 18 G C 0.230 174.989 174.900 -0.234 0.000 0.976 18 G CA 0.783 45.745 45.100 -0.228 0.000 0.655 18 G HN 0.721 nan 8.290 nan 0.000 0.533 19 R N -1.562 118.758 120.500 -0.300 0.000 2.750 19 R HA 0.642 4.982 4.340 0.000 0.000 0.281 19 R C -1.008 175.058 176.300 -0.389 0.000 0.972 19 R CA -0.735 55.242 56.100 -0.205 0.000 0.912 19 R CB 0.877 31.124 30.300 -0.088 0.000 1.187 19 R HN 0.206 nan 8.270 nan 0.000 0.464 20 W N 4.944 126.233 121.300 -0.018 0.000 2.335 20 W HA 0.491 5.151 4.660 0.000 0.000 0.307 20 W C 0.065 176.579 176.519 -0.009 0.000 1.117 20 W CA -0.404 56.934 57.345 -0.013 0.000 1.228 20 W CB 0.653 30.107 29.460 -0.009 0.000 1.240 20 W HN 0.396 nan 8.180 nan 0.000 0.468 21 I N -0.364 120.305 120.570 0.165 0.000 2.934 21 I HA 0.603 4.773 4.170 0.000 0.000 0.306 21 I C -0.457 175.716 176.117 0.093 0.000 1.110 21 I CA -1.088 60.268 61.300 0.093 0.000 1.019 21 I CB 2.264 40.279 38.000 0.025 0.000 1.227 21 I HN 0.167 nan 8.210 nan 0.000 0.434 22 D N 2.035 122.474 120.400 0.065 0.000 2.549 22 D HA 0.523 5.164 4.640 0.000 0.000 0.270 22 D C -0.192 176.129 176.300 0.035 0.000 1.181 22 D CA -0.373 53.659 54.000 0.053 0.000 1.070 22 D CB 1.899 42.726 40.800 0.045 0.000 1.154 22 D HN 0.771 nan 8.370 nan 0.000 0.602 23 A N -0.091 122.747 122.820 0.030 0.000 2.407 23 A HA 0.420 4.740 4.320 0.000 0.000 0.248 23 A C 1.100 178.694 177.584 0.017 0.000 1.082 23 A CA 0.357 52.406 52.037 0.021 0.000 0.785 23 A CB 0.594 19.606 19.000 0.020 0.000 1.020 23 A HN 0.598 nan 8.150 nan 0.000 0.489 24 A N 1.644 124.471 122.820 0.012 0.000 1.892 24 A HA -0.195 4.125 4.320 0.000 0.000 0.218 24 A C 1.402 178.992 177.584 0.010 0.000 1.188 24 A CA 2.237 54.279 52.037 0.009 0.000 0.631 24 A CB -0.712 18.292 19.000 0.006 0.000 0.822 24 A HN 0.937 nan 8.150 nan 0.000 0.447 25 D N -2.552 117.854 120.400 0.010 0.000 2.340 25 D HA 0.319 4.959 4.640 0.000 0.000 0.220 25 D C 1.149 177.456 176.300 0.011 0.000 1.039 25 D CA 0.900 54.906 54.000 0.009 0.000 0.866 25 D CB -0.544 40.261 40.800 0.008 0.000 0.913 25 D HN 0.809 nan 8.370 nan 0.000 0.523 26 G N 0.229 109.038 108.800 0.014 0.000 2.184 26 G HA2 -0.308 3.652 3.960 0.000 0.000 0.264 26 G HA3 -0.308 3.652 3.960 0.000 0.000 0.264 26 G C 0.559 175.469 174.900 0.016 0.000 0.975 26 G CA 0.754 45.863 45.100 0.016 0.000 0.642 26 G HN 0.793 nan 8.290 nan 0.000 0.536 27 T N -0.618 113.945 114.554 0.015 0.000 2.899 27 T HA 0.656 5.006 4.350 0.000 0.000 0.295 27 T C 0.414 175.125 174.700 0.018 0.000 1.033 27 T CA 0.802 62.911 62.100 0.015 0.000 1.084 27 T CB 1.991 70.867 68.868 0.013 0.000 0.979 27 T HN 1.450 nan 8.240 nan 0.000 0.532 28 T N -1.110 113.454 114.554 0.017 0.000 2.812 28 T HA 0.716 5.066 4.350 0.000 0.000 0.294 28 T C -0.784 173.927 174.700 0.018 0.000 1.159 28 T CA -1.053 61.059 62.100 0.021 0.000 1.008 28 T CB 1.054 69.934 68.868 0.020 0.000 1.289 28 T HN 0.665 nan 8.240 nan 0.000 0.514 29 I N 0.607 121.190 120.570 0.021 0.000 2.509 29 I HA 0.448 4.618 4.170 0.000 0.000 0.293 29 I C -0.072 176.054 176.117 0.014 0.000 1.020 29 I CA -0.991 60.319 61.300 0.017 0.000 1.088 29 I CB 2.233 40.247 38.000 0.024 0.000 1.267 29 I HN 0.507 nan 8.210 nan 0.000 0.430 30 K N 4.329 124.733 120.400 0.007 0.000 2.201 30 K HA 0.514 4.834 4.320 0.000 0.000 0.278 30 K C -1.071 175.528 176.600 -0.001 0.000 1.027 30 K CA -0.561 55.727 56.287 0.002 0.000 0.909 30 K CB 1.778 34.276 32.500 -0.003 0.000 1.062 30 K HN 0.285 nan 8.250 nan 0.000 0.465 31 V N 3.640 123.554 119.914 0.000 0.000 2.333 31 V HA 0.155 4.275 4.120 0.000 0.000 0.274 31 V C -0.048 176.039 176.094 -0.012 0.000 1.028 31 V CA -0.566 61.731 62.300 -0.004 0.000 0.851 31 V CB 1.181 33.008 31.823 0.007 0.000 1.000 31 V HN 0.773 nan 8.190 nan 0.000 0.456 32 T N 3.974 118.513 114.554 -0.025 0.000 2.902 32 T HA 0.289 4.639 4.350 0.000 0.000 0.283 32 T C 0.078 174.755 174.700 -0.037 0.000 1.009 32 T CA -0.469 61.613 62.100 -0.029 0.000 1.051 32 T CB 1.173 70.019 68.868 -0.036 0.000 0.999 32 T HN 0.627 nan 8.240 nan 0.000 0.474 33 N N 2.620 121.302 118.700 -0.029 0.000 2.419 33 N HA 0.241 4.981 4.740 0.000 0.000 0.264 33 N C -1.949 173.531 175.510 -0.050 0.000 1.031 33 N CA -2.341 50.690 53.050 -0.031 0.000 0.951 33 N CB 1.521 40.002 38.487 -0.010 0.000 1.101 33 N HN 0.135 nan 8.380 nan 0.000 0.488 34 P HA 0.027 nan 4.420 nan 0.000 0.225 34 P C 0.765 177.974 177.300 -0.153 0.000 1.156 34 P CA 0.681 63.697 63.100 -0.141 0.000 0.787 34 P CB 0.133 31.712 31.700 -0.202 0.000 0.802 35 A N 0.787 123.554 122.820 -0.089 0.000 2.070 35 A HA -0.155 4.166 4.320 0.000 0.000 0.220 35 A C 1.360 179.053 177.584 0.182 0.000 1.159 35 A CA 2.105 54.180 52.037 0.062 0.000 0.656 35 A CB -0.935 18.160 19.000 0.158 0.000 0.800 35 A HN 0.354 nan 8.150 nan 0.000 0.453 36 D N -5.814 114.633 120.400 0.078 0.000 2.557 36 D HA 0.203 4.844 4.640 0.000 0.000 0.317 36 D C 0.891 177.212 176.300 0.034 0.000 1.403 36 D CA 0.940 54.984 54.000 0.073 0.000 0.886 36 D CB -1.033 39.805 40.800 0.063 0.000 1.363 36 D HN 0.872 nan 8.370 nan 0.000 0.458 37 G N 0.922 109.728 108.800 0.011 0.000 2.189 37 G HA2 -0.311 3.649 3.960 0.000 0.000 0.267 37 G HA3 -0.311 3.649 3.960 0.000 0.000 0.267 37 G C 0.485 175.384 174.900 -0.002 0.000 0.975 37 G CA 0.748 45.848 45.100 -0.001 0.000 0.644 37 G HN 1.194 nan 8.290 nan 0.000 0.537 38 S N -0.175 115.527 115.700 0.003 0.000 2.549 38 S HA 0.538 5.008 4.470 0.000 0.000 0.283 38 S C 0.542 175.140 174.600 -0.004 0.000 1.320 38 S CA -0.205 57.996 58.200 0.001 0.000 1.058 38 S CB 2.109 65.312 63.200 0.005 0.000 0.882 38 S HN 1.027 nan 8.310 nan 0.000 0.498 39 V N 4.682 124.594 119.914 -0.004 0.000 2.655 39 V HA 0.078 4.198 4.120 0.000 0.000 0.300 39 V C 1.270 177.362 176.094 -0.004 0.000 1.044 39 V CA 0.150 62.447 62.300 -0.005 0.000 1.095 39 V CB 0.257 32.078 31.823 -0.004 0.000 0.952 39 V HN 0.980 nan 8.190 nan 0.000 0.485 40 I N 2.660 123.227 120.570 -0.004 0.000 3.081 40 I HA 0.395 4.565 4.170 0.000 0.000 0.274 40 I C 1.131 177.246 176.117 -0.002 0.000 1.178 40 I CA 1.067 62.366 61.300 -0.003 0.000 1.460 40 I CB 0.264 38.263 38.000 -0.001 0.000 1.137 40 I HN 0.842 nan 8.210 nan 0.000 0.443 41 G N 0.058 108.858 108.800 -0.001 0.000 2.341 41 G HA2 0.316 4.277 3.960 0.000 0.000 0.293 41 G HA3 0.316 4.277 3.960 0.000 0.000 0.293 41 G C -0.949 173.955 174.900 0.006 0.000 1.298 41 G CA -0.109 44.992 45.100 0.001 0.000 0.868 41 G HN 0.045 nan 8.290 nan 0.000 0.540 42 T N -2.639 111.921 114.554 0.010 0.000 2.916 42 T HA 0.911 5.261 4.350 0.000 0.000 0.292 42 T C -0.186 174.530 174.700 0.027 0.000 1.064 42 T CA -0.099 62.011 62.100 0.016 0.000 1.011 42 T CB 1.567 70.444 68.868 0.015 0.000 1.152 42 T HN 2.139 nan 8.240 nan 0.000 0.510 43 V N -2.188 117.746 119.914 0.034 0.000 3.007 43 V HA 0.831 4.951 4.120 0.000 0.000 0.311 43 V C -3.154 172.968 176.094 0.047 0.000 1.120 43 V CA -3.080 59.250 62.300 0.050 0.000 0.980 43 V CB 1.478 33.337 31.823 0.060 0.000 1.033 43 V HN 0.789 nan 8.190 nan 0.000 0.429 44 P HA 0.226 nan 4.420 nan 0.000 0.270 44 P C -0.365 176.958 177.300 0.038 0.000 1.223 44 P CA 0.066 63.193 63.100 0.045 0.000 0.785 44 P CB 0.772 32.503 31.700 0.051 0.000 0.923 45 S N 1.704 117.422 115.700 0.030 0.000 2.426 45 S HA 0.352 4.822 4.470 0.000 0.000 0.236 45 S C -0.183 174.430 174.600 0.022 0.000 1.368 45 S CA -0.653 57.562 58.200 0.026 0.000 1.154 45 S CB -1.075 62.138 63.200 0.022 0.000 1.037 45 S HN 0.202 nan 8.310 nan 0.000 0.481 46 L N 3.520 124.756 121.223 0.022 0.000 2.452 46 L HA 0.345 4.685 4.340 0.000 0.000 0.267 46 L C 1.111 177.988 176.870 0.012 0.000 1.188 46 L CA -0.466 54.384 54.840 0.015 0.000 0.821 46 L CB 0.897 42.963 42.059 0.011 0.000 1.102 46 L HN 0.652 nan 8.230 nan 0.000 0.470 47 S N 0.777 116.482 115.700 0.008 0.000 2.693 47 S HA 0.254 4.724 4.470 0.000 0.000 0.276 47 S C 1.049 175.651 174.600 0.003 0.000 1.192 47 S CA -0.957 57.247 58.200 0.006 0.000 0.994 47 S CB 1.628 64.831 63.200 0.004 0.000 1.012 47 S HN 0.317 nan 8.310 nan 0.000 0.550 48 V N 1.457 121.373 119.914 0.003 0.000 2.392 48 V HA -0.195 3.925 4.120 0.000 0.000 0.249 48 V C 2.971 179.063 176.094 -0.003 0.000 1.059 48 V CA 2.389 64.689 62.300 0.000 0.000 1.051 48 V CB -1.868 29.956 31.823 0.000 0.000 0.658 48 V HN 0.996 nan 8.190 nan 0.000 0.455 49 A N -0.146 122.673 122.820 -0.002 0.000 1.902 49 A HA -0.215 4.106 4.320 0.000 0.000 0.217 49 A C 2.406 179.985 177.584 -0.008 0.000 1.181 49 A CA 2.436 54.471 52.037 -0.005 0.000 0.623 49 A CB -0.932 18.066 19.000 -0.003 0.000 0.818 49 A HN 0.514 nan 8.150 nan 0.000 0.443 50 T N 0.647 115.197 114.554 -0.007 0.000 2.746 50 T HA -0.101 4.250 4.350 0.000 0.000 0.267 50 T C 1.765 176.455 174.700 -0.017 0.000 1.039 50 T CA 1.396 63.488 62.100 -0.012 0.000 1.142 50 T CB -0.292 68.570 68.868 -0.009 0.000 0.866 50 T HN 0.323 nan 8.240 nan 0.000 0.444 51 I N 1.605 122.168 120.570 -0.011 0.000 2.226 51 I HA -0.120 4.050 4.170 0.000 0.000 0.245 51 I C 2.219 178.327 176.117 -0.015 0.000 1.100 51 I CA 1.407 62.699 61.300 -0.013 0.000 1.374 51 I CB -1.015 36.982 38.000 -0.005 0.000 1.057 51 I HN 0.306 nan 8.210 nan 0.000 0.413 52 K N 0.752 121.145 120.400 -0.012 0.000 2.097 52 K HA -0.194 4.126 4.320 0.000 0.000 0.206 52 K C 2.009 178.599 176.600 -0.018 0.000 1.049 52 K CA 1.366 57.645 56.287 -0.013 0.000 0.933 52 K CB -0.134 32.360 32.500 -0.010 0.000 0.717 52 K HN 0.389 nan 8.250 nan 0.000 0.442 53 E N 0.559 120.747 120.200 -0.021 0.000 2.058 53 E HA -0.211 4.139 4.350 0.000 0.000 0.194 53 E C 2.085 178.663 176.600 -0.037 0.000 0.997 53 E CA 1.214 57.598 56.400 -0.027 0.000 0.801 53 E CB -0.145 29.538 29.700 -0.029 0.000 0.746 53 E HN 0.353 nan 8.360 nan 0.000 0.450 54 A N 1.084 123.879 122.820 -0.042 0.000 1.883 54 A HA -0.201 4.119 4.320 0.000 0.000 0.217 54 A C 2.195 179.750 177.584 -0.048 0.000 1.186 54 A CA 1.293 53.297 52.037 -0.055 0.000 0.624 54 A CB -0.664 18.302 19.000 -0.057 0.000 0.822 54 A HN 0.169 nan 8.150 nan 0.000 0.444 55 I N -0.207 120.343 120.570 -0.033 0.000 2.286 55 I HA -0.224 3.946 4.170 0.000 0.000 0.248 55 I C 1.804 177.907 176.117 -0.024 0.000 1.115 55 I CA 1.362 62.647 61.300 -0.025 0.000 1.392 55 I CB -0.435 37.557 38.000 -0.014 0.000 1.065 55 I HN 0.269 nan 8.210 nan 0.000 0.418 56 D N 1.194 121.580 120.400 -0.024 0.000 2.097 56 D HA -0.122 4.518 4.640 0.000 0.000 0.197 56 D C 2.311 178.594 176.300 -0.028 0.000 0.984 56 D CA 1.559 55.546 54.000 -0.021 0.000 0.826 56 D CB -0.219 40.569 40.800 -0.019 0.000 0.973 56 D HN 0.310 nan 8.370 nan 0.000 0.460 57 A N 0.518 123.314 122.820 -0.040 0.000 1.978 57 A HA -0.195 4.125 4.320 0.000 0.000 0.220 57 A C 2.398 179.948 177.584 -0.057 0.000 1.170 57 A CA 2.020 54.025 52.037 -0.052 0.000 0.636 57 A CB -0.633 18.325 19.000 -0.071 0.000 0.810 57 A HN 0.187 nan 8.150 nan 0.000 0.448 58 S N -0.854 114.812 115.700 -0.056 0.000 2.355 58 S HA 0.027 4.497 4.470 0.000 0.000 0.222 58 S C 2.289 176.871 174.600 -0.029 0.000 1.031 58 S CA 1.285 59.450 58.200 -0.057 0.000 0.993 58 S CB -0.470 62.700 63.200 -0.050 0.000 0.859 58 S HN 0.827 nan 8.310 nan 0.000 0.453 59 A N 1.269 124.080 122.820 -0.016 0.000 1.917 59 A HA -0.211 4.109 4.320 0.000 0.000 0.219 59 A C 2.099 179.685 177.584 0.003 0.000 1.182 59 A CA 1.990 54.027 52.037 -0.001 0.000 0.633 59 A CB -0.609 18.390 19.000 -0.002 0.000 0.819 59 A HN 0.539 nan 8.150 nan 0.000 0.448 60 K N -0.795 119.601 120.400 -0.007 0.000 2.057 60 K HA -0.005 4.315 4.320 0.000 0.000 0.206 60 K C 2.163 178.765 176.600 0.004 0.000 1.050 60 K CA 0.991 57.276 56.287 -0.003 0.000 0.935 60 K CB -0.252 32.240 32.500 -0.013 0.000 0.715 60 K HN 0.414 nan 8.250 nan 0.000 0.439 61 A N 1.122 123.937 122.820 -0.008 0.000 2.015 61 A HA -0.114 4.206 4.320 0.000 0.000 0.219 61 A C 1.924 179.546 177.584 0.063 0.000 1.163 61 A CA 0.808 52.845 52.037 0.000 0.000 0.646 61 A CB -0.371 18.590 19.000 -0.064 0.000 0.806 61 A HN 0.334 nan 8.150 nan 0.000 0.448 62 L N -0.149 121.111 121.223 0.061 0.000 1.994 62 L HA -0.130 4.210 4.340 0.000 0.000 0.208 62 L C 2.551 179.500 176.870 0.131 0.000 1.071 62 L CA 2.679 57.588 54.840 0.114 0.000 0.745 62 L CB -0.975 41.131 42.059 0.078 0.000 0.892 62 L HN 0.318 nan 8.230 nan 0.000 0.431 63 S N -0.650 115.098 115.700 0.081 0.000 2.359 63 S HA -0.162 4.308 4.470 0.000 0.000 0.224 63 S C 1.992 176.633 174.600 0.069 0.000 1.035 63 S CA 1.470 59.706 58.200 0.061 0.000 1.018 63 S CB -0.922 62.301 63.200 0.039 0.000 0.876 63 S HN 0.700 nan 8.310 nan 0.000 0.448 64 G N -0.014 108.839 108.800 0.088 0.000 2.403 64 G HA2 -0.170 3.790 3.960 0.000 0.000 0.216 64 G HA3 -0.170 3.790 3.960 0.000 0.000 0.216 64 G C 1.357 176.341 174.900 0.140 0.000 1.154 64 G CA 0.594 45.749 45.100 0.092 0.000 0.784 64 G HN 0.670 nan 8.290 nan 0.000 0.538 65 W N 1.632 122.921 121.300 -0.019 0.000 2.358 65 W HA -0.072 4.588 4.660 0.000 0.000 0.303 65 W C 2.504 179.015 176.519 -0.013 0.000 1.208 65 W CA 1.488 58.821 57.345 -0.020 0.000 1.274 65 W CB -0.088 29.355 29.460 -0.029 0.000 1.138 65 W HN 0.309 nan 8.180 nan 0.000 0.515 66 A N 0.799 123.631 122.820 0.020 0.000 1.933 66 A HA -0.067 4.253 4.320 0.000 0.000 0.218 66 A C 2.036 179.551 177.584 -0.115 0.000 1.175 66 A CA 2.229 54.220 52.037 -0.075 0.000 0.628 66 A CB -1.200 17.813 19.000 0.022 0.000 0.814 66 A HN 0.306 nan 8.150 nan 0.000 0.444 67 A N -0.626 122.152 122.820 -0.071 0.000 2.167 67 A HA 0.114 4.434 4.320 0.000 0.000 0.214 67 A C 1.152 178.676 177.584 -0.099 0.000 1.151 67 A CA 0.261 52.261 52.037 -0.063 0.000 0.735 67 A CB -0.186 18.800 19.000 -0.024 0.000 0.802 67 A HN 0.496 nan 8.150 nan 0.000 0.467 68 K N 1.381 121.683 120.400 -0.164 0.000 2.380 68 K HA 0.208 4.528 4.320 0.000 0.000 0.267 68 K C 0.596 177.078 176.600 -0.197 0.000 0.990 68 K CA 0.463 56.632 56.287 -0.196 0.000 0.946 68 K CB 0.376 32.682 32.500 -0.323 0.000 0.937 68 K HN 0.451 nan 8.250 nan 0.000 0.491 69 T N -1.015 113.451 114.554 -0.148 0.000 2.856 69 T HA 0.113 4.463 4.350 0.000 0.000 0.306 69 T C 1.377 175.976 174.700 -0.168 0.000 1.062 69 T CA -0.171 61.853 62.100 -0.127 0.000 1.083 69 T CB 1.278 70.095 68.868 -0.084 0.000 0.984 69 T HN 0.576 nan 8.240 nan 0.000 0.542 70 A N 1.681 124.417 122.820 -0.139 0.000 1.940 70 A HA -0.125 4.196 4.320 0.000 0.000 0.219 70 A C 2.348 179.860 177.584 -0.121 0.000 1.176 70 A CA 2.052 54.004 52.037 -0.142 0.000 0.631 70 A CB -0.929 18.003 19.000 -0.113 0.000 0.814 70 A HN 1.006 nan 8.150 nan 0.000 0.446 71 K N 0.306 120.651 120.400 -0.093 0.000 2.097 71 K HA -0.215 4.105 4.320 0.000 0.000 0.206 71 K C 1.978 178.541 176.600 -0.062 0.000 1.049 71 K CA 1.720 57.967 56.287 -0.066 0.000 0.933 71 K CB -0.200 32.271 32.500 -0.048 0.000 0.717 71 K HN 0.792 nan 8.250 nan 0.000 0.442 72 E N 0.085 120.233 120.200 -0.087 0.000 2.112 72 E HA -0.154 4.197 4.350 0.000 0.000 0.190 72 E C 2.031 178.575 176.600 -0.093 0.000 0.979 72 E CA 0.303 56.660 56.400 -0.072 0.000 0.814 72 E CB -0.194 29.464 29.700 -0.070 0.000 0.762 72 E HN 0.240 nan 8.360 nan 0.000 0.460 73 R N 0.942 121.312 120.500 -0.217 0.000 2.081 73 R HA -0.069 4.271 4.340 0.000 0.000 0.235 73 R C 2.544 178.843 176.300 -0.001 0.000 1.131 73 R CA 1.411 57.357 56.100 -0.258 0.000 0.960 73 R CB -0.458 29.546 30.300 -0.494 0.000 0.856 73 R HN 0.261 nan 8.270 nan 0.000 0.436 74 A N 0.707 123.514 122.820 -0.021 0.000 1.908 74 A HA -0.112 4.208 4.320 0.000 0.000 0.218 74 A C 2.370 179.992 177.584 0.063 0.000 1.181 74 A CA 1.870 53.920 52.037 0.023 0.000 0.627 74 A CB -1.068 17.915 19.000 -0.028 0.000 0.818 74 A HN 0.487 nan 8.150 nan 0.000 0.445 75 G N -0.175 108.656 108.800 0.051 0.000 2.402 75 G HA2 -0.139 3.821 3.960 0.000 0.000 0.216 75 G HA3 -0.139 3.821 3.960 0.000 0.000 0.216 75 G C 1.527 176.503 174.900 0.127 0.000 1.162 75 G CA 1.076 46.221 45.100 0.075 0.000 0.777 75 G HN 0.476 nan 8.290 nan 0.000 0.539 76 I N 0.313 120.974 120.570 0.152 0.000 2.202 76 I HA -0.096 4.074 4.170 0.000 0.000 0.242 76 I C 2.697 178.978 176.117 0.272 0.000 1.091 76 I CA 0.627 62.051 61.300 0.207 0.000 1.368 76 I CB -0.192 37.972 38.000 0.274 0.000 1.058 76 I HN 0.099 nan 8.210 nan 0.000 0.410 77 L N 0.216 121.623 121.223 0.307 0.000 2.079 77 L HA -0.236 4.104 4.340 0.000 0.000 0.210 77 L C 2.759 179.843 176.870 0.357 0.000 1.081 77 L CA 1.325 56.400 54.840 0.390 0.000 0.752 77 L CB -0.528 41.734 42.059 0.338 0.000 0.896 77 L HN 0.236 nan 8.230 nan 0.000 0.433 78 R N 0.531 121.181 120.500 0.250 0.000 2.081 78 R HA -0.165 4.176 4.340 0.000 0.000 0.235 78 R C 2.292 178.780 176.300 0.313 0.000 1.131 78 R CA 1.312 57.565 56.100 0.255 0.000 0.960 78 R CB 0.037 30.435 30.300 0.163 0.000 0.856 78 R HN 0.272 nan 8.270 nan 0.000 0.436 79 K N -0.769 119.787 120.400 0.259 0.000 2.097 79 K HA -0.209 4.111 4.320 0.000 0.000 0.206 79 K C 1.764 178.552 176.600 0.312 0.000 1.049 79 K CA 1.419 57.845 56.287 0.233 0.000 0.933 79 K CB -0.308 32.300 32.500 0.180 0.000 0.717 79 K HN 0.283 nan 8.250 nan 0.000 0.442 80 W N 1.486 122.873 121.300 0.145 0.000 2.355 80 W HA -0.202 4.458 4.660 0.000 0.000 0.309 80 W C 1.855 178.467 176.519 0.155 0.000 1.206 80 W CA 0.776 58.199 57.345 0.131 0.000 1.284 80 W CB -0.870 28.669 29.460 0.132 0.000 1.145 80 W HN 0.016 nan 8.180 nan 0.000 0.502 81 F N 2.106 122.110 119.950 0.090 0.000 2.065 81 F HA -0.290 4.237 4.527 0.000 0.000 0.298 81 F C 2.104 177.907 175.800 0.004 0.000 1.112 81 F CA 2.712 60.687 58.000 -0.041 0.000 1.212 81 F CB -0.854 38.150 39.000 0.006 0.000 0.975 81 F HN -0.225 nan 8.300 nan 0.000 0.476 82 D N 0.596 120.961 120.400 -0.058 0.000 2.144 82 D HA -0.178 4.462 4.640 0.000 0.000 0.199 82 D C 2.477 178.689 176.300 -0.146 0.000 0.984 82 D CA 1.601 55.487 54.000 -0.190 0.000 0.834 82 D CB -0.554 40.251 40.800 0.009 0.000 0.955 82 D HN 0.362 nan 8.370 nan 0.000 0.465 83 L N 0.402 121.617 121.223 -0.013 0.000 2.056 83 L HA -0.120 4.220 4.340 0.000 0.000 0.207 83 L C 2.527 179.379 176.870 -0.030 0.000 1.078 83 L CA 0.654 55.508 54.840 0.024 0.000 0.749 83 L CB -0.270 41.873 42.059 0.140 0.000 0.901 83 L HN -0.003 nan 8.230 nan 0.000 0.433 84 I N -0.487 120.030 120.570 -0.088 0.000 2.208 84 I HA -0.312 3.858 4.170 0.000 0.000 0.245 84 I C 2.348 178.377 176.117 -0.145 0.000 1.097 84 I CA 1.095 62.325 61.300 -0.116 0.000 1.363 84 I CB -0.232 37.650 38.000 -0.197 0.000 1.051 84 I HN 0.190 nan 8.210 nan 0.000 0.413 85 I N 1.005 121.418 120.570 -0.262 0.000 2.202 85 I HA -0.216 3.954 4.170 0.000 0.000 0.242 85 I C 2.852 178.885 176.117 -0.140 0.000 1.091 85 I CA 1.643 62.791 61.300 -0.253 0.000 1.368 85 I CB -1.581 36.158 38.000 -0.435 0.000 1.058 85 I HN 0.164 nan 8.210 nan 0.000 0.410 86 A N 0.699 123.447 122.820 -0.120 0.000 2.024 86 A HA -0.166 4.154 4.320 0.000 0.000 0.220 86 A C 1.754 179.316 177.584 -0.037 0.000 1.164 86 A CA 1.449 53.450 52.037 -0.061 0.000 0.643 86 A CB -0.650 18.325 19.000 -0.041 0.000 0.806 86 A HN 0.515 nan 8.150 nan 0.000 0.451 87 N N -0.400 118.280 118.700 -0.033 0.000 2.279 87 N HA 0.272 5.012 4.740 0.000 0.000 0.226 87 N C 1.372 176.874 175.510 -0.013 0.000 1.126 87 N CA 0.642 53.684 53.050 -0.013 0.000 0.846 87 N CB 0.397 38.888 38.487 0.007 0.000 1.050 87 N HN 0.459 nan 8.380 nan 0.000 0.502 88 A N 1.293 124.098 122.820 -0.026 0.000 1.908 88 A HA -0.177 4.143 4.320 0.000 0.000 0.218 88 A C 1.819 179.403 177.584 -0.001 0.000 1.181 88 A CA 1.373 53.400 52.037 -0.016 0.000 0.627 88 A CB -0.128 18.858 19.000 -0.024 0.000 0.818 88 A HN 0.133 nan 8.150 nan 0.000 0.445 89 D N -0.015 120.384 120.400 -0.002 0.000 2.117 89 D HA -0.126 4.514 4.640 0.000 0.000 0.197 89 D C 1.341 177.644 176.300 0.005 0.000 0.987 89 D CA 1.463 55.465 54.000 0.003 0.000 0.829 89 D CB -0.395 40.405 40.800 0.000 0.000 0.961 89 D HN 0.357 nan 8.370 nan 0.000 0.460 90 D N 0.375 120.777 120.400 0.004 0.000 2.117 90 D HA -0.068 4.572 4.640 0.000 0.000 0.198 90 D C 2.296 178.603 176.300 0.012 0.000 0.982 90 D CA 0.362 54.365 54.000 0.006 0.000 0.828 90 D CB -0.255 40.547 40.800 0.003 0.000 0.967 90 D HN 0.237 nan 8.370 nan 0.000 0.464 91 I N 1.120 121.700 120.570 0.017 0.000 2.208 91 I HA -0.266 3.904 4.170 0.000 0.000 0.245 91 I C 2.462 178.595 176.117 0.027 0.000 1.097 91 I CA 1.195 62.511 61.300 0.027 0.000 1.363 91 I CB -0.263 37.756 38.000 0.032 0.000 1.051 91 I HN -0.082 nan 8.210 nan 0.000 0.413 92 A N 0.571 123.404 122.820 0.023 0.000 1.908 92 A HA -0.221 4.100 4.320 0.000 0.000 0.218 92 A C 2.263 179.858 177.584 0.018 0.000 1.181 92 A CA 1.685 53.736 52.037 0.023 0.000 0.627 92 A CB -0.867 18.145 19.000 0.021 0.000 0.818 92 A HN 0.381 nan 8.150 nan 0.000 0.445 93 L N 0.026 121.257 121.223 0.014 0.000 2.012 93 L HA -0.130 4.210 4.340 0.000 0.000 0.210 93 L C 2.258 179.135 176.870 0.012 0.000 1.073 93 L CA 1.803 56.650 54.840 0.011 0.000 0.748 93 L CB -0.565 41.499 42.059 0.008 0.000 0.891 93 L HN 0.451 nan 8.230 nan 0.000 0.431 94 I N -1.231 119.348 120.570 0.015 0.000 2.208 94 I HA -0.355 3.815 4.170 0.000 0.000 0.245 94 I C 2.595 178.725 176.117 0.021 0.000 1.097 94 I CA 1.901 63.211 61.300 0.017 0.000 1.363 94 I CB -0.293 37.720 38.000 0.022 0.000 1.051 94 I HN 0.407 nan 8.210 nan 0.000 0.413 95 M N 0.167 119.782 119.600 0.025 0.000 2.077 95 M HA -0.209 4.271 4.480 0.000 0.000 0.261 95 M C 2.380 178.687 176.300 0.012 0.000 1.070 95 M CA 2.010 57.325 55.300 0.025 0.000 1.125 95 M CB -0.258 32.358 32.600 0.028 0.000 1.339 95 M HN 0.146 nan 8.290 nan 0.000 0.409 96 T N 0.641 115.200 114.554 0.008 0.000 2.699 96 T HA -0.146 4.205 4.350 0.000 0.000 0.268 96 T C 1.835 176.536 174.700 0.002 0.000 1.036 96 T CA 1.918 64.020 62.100 0.003 0.000 1.147 96 T CB -0.285 68.588 68.868 0.008 0.000 0.862 96 T HN 0.482 nan 8.240 nan 0.000 0.446 97 S N 1.312 117.016 115.700 0.005 0.000 2.348 97 S HA -0.151 4.319 4.470 0.000 0.000 0.221 97 S C 2.185 176.781 174.600 -0.006 0.000 1.033 97 S CA 1.615 59.817 58.200 0.003 0.000 1.010 97 S CB -0.286 62.917 63.200 0.005 0.000 0.891 97 S HN 0.843 nan 8.310 nan 0.000 0.442 98 E N 0.174 120.374 120.200 -0.000 0.000 2.230 98 E HA -0.003 4.348 4.350 0.000 0.000 0.192 98 E C 2.069 178.658 176.600 -0.017 0.000 0.987 98 E CA 0.543 56.940 56.400 -0.005 0.000 0.841 98 E CB -0.082 29.625 29.700 0.013 0.000 0.783 98 E HN 0.323 nan 8.360 nan 0.000 0.481 99 Q N 0.090 119.887 119.800 -0.006 0.000 2.387 99 Q HA 0.084 4.424 4.340 0.000 0.000 0.212 99 Q C 1.272 177.253 176.000 -0.033 0.000 0.925 99 Q CA 1.478 57.284 55.803 0.004 0.000 0.901 99 Q CB 1.151 29.917 28.738 0.046 0.000 1.020 99 Q HN 0.455 nan 8.270 nan 0.000 0.545 100 G N 1.600 110.377 108.800 -0.038 0.000 2.428 100 G HA2 -0.226 3.734 3.960 0.000 0.000 0.199 100 G HA3 -0.226 3.734 3.960 0.000 0.000 0.199 100 G C -0.016 174.864 174.900 -0.033 0.000 1.005 100 G CA 0.069 45.132 45.100 -0.061 0.000 0.671 100 G HN 0.385 nan 8.290 nan 0.000 0.485 101 K N 1.548 121.930 120.400 -0.030 0.000 2.414 101 K HA 0.432 4.752 4.320 0.000 0.000 0.272 101 K C -2.632 173.964 176.600 -0.007 0.000 0.993 101 K CA -0.933 55.337 56.287 -0.028 0.000 0.964 101 K CB 0.509 32.967 32.500 -0.070 0.000 0.925 101 K HN 0.109 nan 8.250 nan 0.000 0.487 102 P HA -0.049 nan 4.420 nan 0.000 0.267 102 P C 0.586 177.892 177.300 0.010 0.000 1.200 102 P CA -0.109 63.001 63.100 0.016 0.000 0.772 102 P CB 0.478 32.190 31.700 0.019 0.000 0.855 103 L N 2.308 123.539 121.223 0.014 0.000 2.043 103 L HA -0.307 4.034 4.340 0.000 0.000 0.212 103 L C 2.326 179.204 176.870 0.014 0.000 1.075 103 L CA 2.200 57.048 54.840 0.013 0.000 0.752 103 L CB -0.889 41.178 42.059 0.013 0.000 0.891 103 L HN 0.454 nan 8.230 nan 0.000 0.432 104 A N -0.737 122.091 122.820 0.013 0.000 1.972 104 A HA -0.222 4.098 4.320 0.000 0.000 0.219 104 A C 2.185 179.781 177.584 0.020 0.000 1.169 104 A CA 1.682 53.728 52.037 0.015 0.000 0.635 104 A CB -0.356 18.652 19.000 0.012 0.000 0.810 104 A HN 0.481 nan 8.150 nan 0.000 0.446 105 E N -0.568 119.642 120.200 0.016 0.000 2.112 105 E HA 0.002 4.352 4.350 0.000 0.000 0.190 105 E C 2.359 178.975 176.600 0.025 0.000 0.979 105 E CA 0.661 57.072 56.400 0.017 0.000 0.814 105 E CB -0.197 29.500 29.700 -0.006 0.000 0.762 105 E HN 0.609 nan 8.360 nan 0.000 0.460 106 A N 1.489 124.317 122.820 0.014 0.000 1.877 106 A HA -0.204 4.116 4.320 0.000 0.000 0.216 106 A C 2.094 179.707 177.584 0.048 0.000 1.186 106 A CA 1.424 53.474 52.037 0.022 0.000 0.620 106 A CB -0.410 18.598 19.000 0.013 0.000 0.822 106 A HN 0.045 nan 8.150 nan 0.000 0.443 107 R N -0.903 119.620 120.500 0.040 0.000 2.073 107 R HA -0.111 4.229 4.340 0.000 0.000 0.234 107 R C 2.360 178.698 176.300 0.064 0.000 1.134 107 R CA 1.418 57.544 56.100 0.043 0.000 0.952 107 R CB -0.690 29.627 30.300 0.028 0.000 0.850 107 R HN 0.521 nan 8.270 nan 0.000 0.433 108 G N 0.344 109.184 108.800 0.066 0.000 2.469 108 G HA2 -0.355 3.605 3.960 0.000 0.000 0.219 108 G HA3 -0.355 3.605 3.960 0.000 0.000 0.219 108 G C 1.220 176.214 174.900 0.157 0.000 1.150 108 G CA 1.016 46.167 45.100 0.086 0.000 0.763 108 G HN 0.484 nan 8.290 nan 0.000 0.561 109 E N -0.076 120.235 120.200 0.186 0.000 2.085 109 E HA -0.124 4.226 4.350 0.000 0.000 0.194 109 E C 2.612 179.377 176.600 0.276 0.000 0.994 109 E CA 1.228 57.821 56.400 0.322 0.000 0.801 109 E CB -0.101 29.782 29.700 0.306 0.000 0.743 109 E HN 0.276 nan 8.360 nan 0.000 0.453 110 V N 1.259 121.269 119.914 0.159 0.000 2.343 110 V HA -0.257 3.863 4.120 0.000 0.000 0.247 110 V C 2.391 178.544 176.094 0.098 0.000 1.051 110 V CA 1.492 63.853 62.300 0.103 0.000 1.036 110 V CB -0.419 31.436 31.823 0.053 0.000 0.654 110 V HN 0.343 nan 8.190 nan 0.000 0.451 111 L N -1.369 119.922 121.223 0.114 0.000 2.109 111 L HA -0.151 4.190 4.340 0.000 0.000 0.207 111 L C 2.509 179.478 176.870 0.166 0.000 1.086 111 L CA 1.664 56.571 54.840 0.111 0.000 0.760 111 L CB -0.778 41.336 42.059 0.092 0.000 0.910 111 L HN 0.400 nan 8.230 nan 0.000 0.437 112 Y N 1.408 121.746 120.300 0.063 0.000 2.114 112 Y HA -0.294 4.257 4.550 0.000 0.000 0.284 112 Y C 2.551 178.547 175.900 0.161 0.000 1.143 112 Y CA 1.183 59.317 58.100 0.056 0.000 1.135 112 Y CB -0.649 37.860 38.460 0.081 0.000 0.980 112 Y HN 0.076 nan 8.280 nan 0.000 0.499 113 A N 1.031 123.879 122.820 0.047 0.000 1.884 113 A HA -0.281 4.040 4.320 0.000 0.000 0.219 113 A C 2.502 180.127 177.584 0.069 0.000 1.197 113 A CA 2.969 55.019 52.037 0.022 0.000 0.637 113 A CB -1.743 17.279 19.000 0.036 0.000 0.827 113 A HN 0.737 nan 8.150 nan 0.000 0.450 114 A N -0.061 122.798 122.820 0.065 0.000 1.933 114 A HA -0.070 4.250 4.320 0.000 0.000 0.218 114 A C 2.486 180.214 177.584 0.240 0.000 1.175 114 A CA 2.354 54.481 52.037 0.150 0.000 0.628 114 A CB -1.018 18.075 19.000 0.155 0.000 0.814 114 A HN 1.188 nan 8.150 nan 0.000 0.444 115 S N -0.753 115.002 115.700 0.093 0.000 2.399 115 S HA -0.165 4.305 4.470 0.000 0.000 0.231 115 S C 1.669 176.119 174.600 -0.251 0.000 1.022 115 S CA 1.459 59.588 58.200 -0.118 0.000 0.983 115 S CB -0.850 62.226 63.200 -0.207 0.000 0.803 115 S HN 0.400 nan 8.310 nan 0.000 0.480 116 F N 1.641 121.544 119.950 -0.078 0.000 2.186 116 F HA 0.161 4.688 4.527 0.000 0.000 0.299 116 F C 2.179 178.091 175.800 0.186 0.000 1.090 116 F CA 0.793 58.829 58.000 0.061 0.000 1.307 116 F CB -0.492 38.530 39.000 0.038 0.000 1.019 116 F HN 0.200 nan 8.300 nan 0.000 0.489 117 I N -0.283 120.405 120.570 0.197 0.000 2.252 117 I HA -0.241 3.929 4.170 0.000 0.000 0.245 117 I C 2.519 178.646 176.117 0.016 0.000 1.102 117 I CA 1.419 62.800 61.300 0.136 0.000 1.385 117 I CB -0.491 37.504 38.000 -0.009 0.000 1.064 117 I HN 0.152 nan 8.210 nan 0.000 0.414 118 E N 0.939 120.964 120.200 -0.292 0.000 2.051 118 E HA -0.281 4.069 4.350 0.000 0.000 0.192 118 E C 2.183 178.631 176.600 -0.254 0.000 0.991 118 E CA 1.574 57.627 56.400 -0.578 0.000 0.799 118 E CB -0.282 28.665 29.700 -1.255 0.000 0.748 118 E HN 0.601 nan 8.360 nan 0.000 0.449 119 W N 0.403 121.483 121.300 -0.367 0.000 2.335 119 W HA -0.243 4.417 4.660 0.000 0.000 0.311 119 W C 1.516 177.791 176.519 -0.405 0.000 1.213 119 W CA 1.179 58.273 57.345 -0.418 0.000 1.274 119 W CB -0.454 28.670 29.460 -0.561 0.000 1.148 119 W HN 0.115 nan 8.180 nan 0.000 0.498 120 F N 1.024 121.005 119.950 0.052 0.000 2.407 120 F HA -0.013 4.515 4.527 0.000 0.000 0.299 120 F C 2.698 178.445 175.800 -0.088 0.000 1.097 120 F CA 1.555 59.536 58.000 -0.031 0.000 1.422 120 F CB -1.327 37.746 39.000 0.122 0.000 1.067 120 F HN -0.105 nan 8.300 nan 0.000 0.539 121 A N 0.227 123.084 122.820 0.062 0.000 1.908 121 A HA -0.228 4.093 4.320 0.000 0.000 0.218 121 A C 2.137 179.658 177.584 -0.106 0.000 1.181 121 A CA 1.983 54.028 52.037 0.013 0.000 0.627 121 A CB -0.718 18.293 19.000 0.019 0.000 0.818 121 A HN 0.425 nan 8.150 nan 0.000 0.445 122 E N -0.488 119.570 120.200 -0.237 0.000 2.072 122 E HA -0.152 4.198 4.350 0.000 0.000 0.191 122 E C 1.975 178.345 176.600 -0.383 0.000 0.985 122 E CA 1.019 57.223 56.400 -0.326 0.000 0.801 122 E CB -0.129 29.303 29.700 -0.447 0.000 0.750 122 E HN 0.516 nan 8.360 nan 0.000 0.452 123 E N 0.654 120.559 120.200 -0.492 0.000 2.153 123 E HA -0.172 4.178 4.350 0.000 0.000 0.194 123 E C 2.084 178.564 176.600 -0.201 0.000 0.988 123 E CA 0.860 57.025 56.400 -0.392 0.000 0.811 123 E CB -0.235 29.291 29.700 -0.290 0.000 0.746 123 E HN 0.248 nan 8.360 nan 0.000 0.466 124 A N 1.674 124.429 122.820 -0.109 0.000 1.997 124 A HA -0.237 4.084 4.320 0.000 0.000 0.221 124 A C 1.928 179.428 177.584 -0.141 0.000 1.172 124 A CA 1.695 53.682 52.037 -0.084 0.000 0.645 124 A CB -0.368 18.599 19.000 -0.056 0.000 0.813 124 A HN 0.147 nan 8.150 nan 0.000 0.454 125 K N -1.280 119.015 120.400 -0.173 0.000 2.444 125 K HA 0.122 4.442 4.320 0.000 0.000 0.193 125 K C 0.659 177.101 176.600 -0.263 0.000 1.024 125 K CA 0.257 56.443 56.287 -0.168 0.000 1.077 125 K CB 0.234 32.657 32.500 -0.128 0.000 0.833 125 K HN 0.345 nan 8.250 nan 0.000 0.517 126 R N 0.752 120.996 120.500 -0.426 0.000 2.659 126 R HA 0.160 4.501 4.340 0.000 0.000 0.418 126 R C -0.744 174.966 176.300 -0.983 0.000 1.076 126 R CA -0.143 55.409 56.100 -0.912 0.000 1.093 126 R CB 1.222 31.139 30.300 -0.639 0.000 1.400 126 R HN -0.137 nan 8.270 nan 0.000 0.583 127 V N 2.804 122.405 119.914 -0.522 0.000 2.313 127 V HA 0.122 4.242 4.120 0.000 0.000 0.252 127 V C -0.594 175.392 176.094 -0.181 0.000 1.112 127 V CA -0.060 62.079 62.300 -0.267 0.000 0.984 127 V CB -0.460 31.299 31.823 -0.107 0.000 1.157 127 V HN 0.147 nan 8.190 nan 0.000 0.493 128 Y N 2.846 123.152 120.300 0.010 0.000 2.320 128 Y HA 0.685 5.235 4.550 0.000 0.000 0.334 128 Y C 0.932 176.845 175.900 0.021 0.000 1.055 128 Y CA -0.666 57.439 58.100 0.008 0.000 1.143 128 Y CB 1.408 39.869 38.460 0.002 0.000 1.193 128 Y HN 0.593 nan 8.280 nan 0.000 0.477 129 G N 1.456 110.371 108.800 0.192 0.000 2.583 129 G HA2 0.459 4.419 3.960 0.000 0.000 0.280 129 G HA3 0.459 4.419 3.960 0.000 0.000 0.280 129 G C -0.964 173.992 174.900 0.094 0.000 1.376 129 G CA -0.741 44.432 45.100 0.122 0.000 1.043 129 G HN 0.517 nan 8.290 nan 0.000 0.538 130 D N -0.676 119.767 120.400 0.071 0.000 2.527 130 D HA 0.492 5.132 4.640 0.000 0.000 0.233 130 D C -0.328 175.999 176.300 0.045 0.000 1.063 130 D CA -0.172 53.858 54.000 0.050 0.000 0.880 130 D CB 2.001 42.831 40.800 0.049 0.000 1.457 130 D HN 0.518 nan 8.370 nan 0.000 0.475 131 T N -1.663 112.908 114.554 0.028 0.000 2.855 131 T HA 0.766 5.116 4.350 0.000 0.000 0.281 131 T C -0.149 174.567 174.700 0.026 0.000 1.007 131 T CA -0.681 61.438 62.100 0.031 0.000 1.009 131 T CB 0.865 69.742 68.868 0.016 0.000 0.983 131 T HN 0.286 nan 8.240 nan 0.000 0.455 132 I N 2.969 123.560 120.570 0.036 0.000 2.498 132 I HA 0.390 4.560 4.170 0.000 0.000 0.290 132 I C -2.478 173.657 176.117 0.031 0.000 1.032 132 I CA -2.858 58.456 61.300 0.024 0.000 1.073 132 I CB 2.565 40.571 38.000 0.010 0.000 1.251 132 I HN 0.450 nan 8.210 nan 0.000 0.426 133 P HA 0.084 nan 4.420 nan 0.000 0.264 133 P C -0.649 176.673 177.300 0.036 0.000 1.193 133 P CA -0.133 62.984 63.100 0.028 0.000 0.763 133 P CB 0.575 32.286 31.700 0.018 0.000 0.810 134 A N 5.854 128.706 122.820 0.054 0.000 2.362 134 A HA 0.355 4.675 4.320 0.000 0.000 0.276 134 A C -1.170 176.443 177.584 0.048 0.000 1.153 134 A CA -0.929 51.147 52.037 0.066 0.000 0.813 134 A CB -0.351 18.704 19.000 0.091 0.000 1.081 134 A HN 0.437 nan 8.150 nan 0.000 0.507 135 P HA -0.084 nan 4.420 nan 0.000 0.225 135 P C 0.004 177.322 177.300 0.029 0.000 1.148 135 P CA 1.200 64.317 63.100 0.028 0.000 0.779 135 P CB 0.241 31.955 31.700 0.024 0.000 0.780 136 Q N -0.288 119.534 119.800 0.036 0.000 2.342 136 Q HA 0.291 4.631 4.340 0.000 0.000 0.267 136 Q C -0.407 175.610 176.000 0.028 0.000 1.038 136 Q CA -0.842 54.976 55.803 0.025 0.000 0.832 136 Q CB 1.447 30.197 28.738 0.021 0.000 1.323 136 Q HN 0.082 nan 8.270 nan 0.000 0.448 137 N N -0.052 118.656 118.700 0.012 0.000 2.344 137 N HA 0.146 4.887 4.740 0.000 0.000 0.236 137 N C 0.856 176.343 175.510 -0.038 0.000 1.279 137 N CA 1.187 54.240 53.050 0.004 0.000 0.882 137 N CB 0.254 38.734 38.487 -0.011 0.000 1.110 137 N HN 0.903 nan 8.380 nan 0.000 0.436 138 G N -0.364 108.387 108.800 -0.082 0.000 2.155 138 G HA2 -0.302 3.658 3.960 0.000 0.000 0.257 138 G HA3 -0.302 3.658 3.960 0.000 0.000 0.257 138 G C -0.266 174.543 174.900 -0.153 0.000 0.983 138 G CA 0.203 45.100 45.100 -0.338 0.000 0.676 138 G HN 0.571 nan 8.290 nan 0.000 0.528 139 Q N -0.987 118.874 119.800 0.101 0.000 2.413 139 Q HA 0.757 5.098 4.340 0.000 0.000 0.276 139 Q C -0.434 175.695 176.000 0.215 0.000 1.099 139 Q CA -1.075 54.830 55.803 0.169 0.000 0.814 139 Q CB 1.826 30.622 28.738 0.096 0.000 1.379 139 Q HN 0.158 nan 8.270 nan 0.000 0.436 140 R N 1.482 122.089 120.500 0.177 0.000 2.574 140 R HA 0.565 4.905 4.340 0.000 0.000 0.288 140 R C -1.253 175.112 176.300 0.110 0.000 1.004 140 R CA -0.560 55.611 56.100 0.117 0.000 0.895 140 R CB 1.358 31.692 30.300 0.058 0.000 1.191 140 R HN 0.583 nan 8.270 nan 0.000 0.444 141 L N 1.724 123.021 121.223 0.123 0.000 2.329 141 L HA 0.651 4.991 4.340 0.000 0.000 0.279 141 L C 0.046 177.001 176.870 0.142 0.000 1.014 141 L CA -0.629 54.324 54.840 0.189 0.000 0.814 141 L CB 2.131 44.327 42.059 0.229 0.000 1.257 141 L HN 0.455 nan 8.230 nan 0.000 0.424 142 T N 1.638 116.291 114.554 0.164 0.000 2.909 142 T HA 0.616 4.966 4.350 0.000 0.000 0.299 142 T C -0.762 174.036 174.700 0.163 0.000 1.073 142 T CA -0.466 61.704 62.100 0.118 0.000 0.999 142 T CB 2.703 71.611 68.868 0.066 0.000 1.098 142 T HN 0.212 nan 8.240 nan 0.000 0.477 143 V N 3.837 123.823 119.914 0.121 0.000 2.577 143 V HA 0.637 4.757 4.120 0.000 0.000 0.303 143 V C -0.255 175.893 176.094 0.091 0.000 1.042 143 V CA -0.874 61.501 62.300 0.124 0.000 0.872 143 V CB 1.335 33.221 31.823 0.105 0.000 0.998 143 V HN 0.848 nan 8.190 nan 0.000 0.423 144 I N 2.132 122.751 120.570 0.082 0.000 2.957 144 I HA 0.812 4.982 4.170 0.000 0.000 0.310 144 I C -0.645 175.511 176.117 0.065 0.000 1.063 144 I CA -1.147 60.192 61.300 0.066 0.000 1.033 144 I CB 2.469 40.497 38.000 0.048 0.000 1.230 144 I HN 0.474 nan 8.210 nan 0.000 0.447 145 R N 2.880 123.414 120.500 0.057 0.000 2.561 145 R HA 0.575 4.916 4.340 0.000 0.000 0.297 145 R C -1.309 175.016 176.300 0.042 0.000 0.969 145 R CA -0.697 55.436 56.100 0.055 0.000 0.879 145 R CB 2.300 32.636 30.300 0.061 0.000 1.178 145 R HN 0.666 nan 8.270 nan 0.000 0.445 146 Q N 2.259 122.086 119.800 0.044 0.000 2.451 146 Q HA 0.451 4.791 4.340 0.000 0.000 0.281 146 Q C -2.562 173.468 176.000 0.051 0.000 1.099 146 Q CA -2.500 53.326 55.803 0.037 0.000 0.806 146 Q CB 2.749 31.505 28.738 0.030 0.000 1.419 146 Q HN 0.305 nan 8.270 nan 0.000 0.427 147 P HA -0.053 nan 4.420 nan 0.000 0.268 147 P C 0.496 177.844 177.300 0.080 0.000 1.204 147 P CA 0.113 63.261 63.100 0.081 0.000 0.768 147 P CB 0.762 32.514 31.700 0.086 0.000 0.842 148 V N 1.988 121.959 119.914 0.095 0.000 2.469 148 V HA -0.065 4.055 4.120 0.000 0.000 0.251 148 V C 1.614 177.750 176.094 0.070 0.000 1.064 148 V CA 2.545 64.888 62.300 0.071 0.000 1.066 148 V CB -1.556 30.302 31.823 0.059 0.000 0.667 148 V HN 1.079 nan 8.190 nan 0.000 0.461 149 G N -1.051 107.804 108.800 0.091 0.000 2.317 149 G HA2 -0.121 3.839 3.960 0.000 0.000 0.196 149 G HA3 -0.121 3.839 3.960 0.000 0.000 0.196 149 G C -0.559 174.391 174.900 0.083 0.000 1.255 149 G CA -0.338 44.809 45.100 0.079 0.000 1.243 149 G HN 0.192 nan 8.290 nan 0.000 0.535 150 V N 2.336 122.285 119.914 0.058 0.000 2.508 150 V HA 0.556 4.676 4.120 0.000 0.000 0.281 150 V C 1.086 177.214 176.094 0.057 0.000 1.041 150 V CA 0.902 63.229 62.300 0.044 0.000 1.016 150 V CB 0.538 32.374 31.823 0.023 0.000 0.984 150 V HN 1.409 nan 8.190 nan 0.000 0.478 151 T N 2.346 116.940 114.554 0.068 0.000 2.916 151 T HA 0.880 5.230 4.350 0.000 0.000 0.292 151 T C -0.564 174.178 174.700 0.070 0.000 1.064 151 T CA -0.528 61.629 62.100 0.096 0.000 1.011 151 T CB 2.176 71.164 68.868 0.200 0.000 1.152 151 T HN 1.001 nan 8.240 nan 0.000 0.510 152 A N 0.696 123.564 122.820 0.081 0.000 2.371 152 A HA 0.910 5.231 4.320 0.000 0.000 0.311 152 A C -0.298 177.343 177.584 0.096 0.000 1.068 152 A CA -0.810 51.267 52.037 0.067 0.000 0.744 152 A CB 1.211 20.241 19.000 0.051 0.000 1.239 152 A HN 1.563 nan 8.150 nan 0.000 0.435 153 A N 2.093 124.965 122.820 0.086 0.000 2.342 153 A HA 0.796 5.116 4.320 0.000 0.000 0.323 153 A C -0.831 176.816 177.584 0.106 0.000 1.125 153 A CA -0.366 51.731 52.037 0.100 0.000 0.785 153 A CB 0.571 19.616 19.000 0.075 0.000 1.221 153 A HN 0.753 nan 8.150 nan 0.000 0.463 154 I N 2.313 122.975 120.570 0.154 0.000 2.418 154 I HA 0.479 4.650 4.170 0.000 0.000 0.287 154 I C 0.132 176.294 176.117 0.076 0.000 1.008 154 I CA -0.225 61.185 61.300 0.185 0.000 1.104 154 I CB 2.517 40.724 38.000 0.344 0.000 1.264 154 I HN 0.784 nan 8.210 nan 0.000 0.438 155 T N 3.786 118.352 114.554 0.021 0.000 2.907 155 T HA 0.736 5.086 4.350 0.000 0.000 0.292 155 T C -2.897 171.770 174.700 -0.056 0.000 1.043 155 T CA -2.012 60.049 62.100 -0.065 0.000 1.003 155 T CB 2.488 71.346 68.868 -0.017 0.000 1.084 155 T HN 0.217 nan 8.240 nan 0.000 0.483 156 P HA 0.365 nan 4.420 nan 0.000 0.289 156 P C 0.700 177.972 177.300 -0.046 0.000 1.300 156 P CA -0.943 62.069 63.100 -0.147 0.000 0.828 156 P CB 1.086 32.584 31.700 -0.337 0.000 1.235 157 W N 0.935 122.257 121.300 0.035 0.000 2.863 157 W HA 0.015 4.675 4.660 0.000 0.000 0.258 157 W C 0.748 177.282 176.519 0.025 0.000 1.298 157 W CA 0.474 57.836 57.345 0.030 0.000 1.451 157 W CB -1.535 27.936 29.460 0.018 0.000 1.107 157 W HN 0.232 nan 8.180 nan 0.000 0.641 158 N N 1.326 119.785 118.700 -0.401 0.000 2.409 158 N HA -0.118 4.623 4.740 0.000 0.000 0.179 158 N C -0.401 174.932 175.510 -0.296 0.000 1.032 158 N CA 0.528 53.375 53.050 -0.337 0.000 0.898 158 N CB -0.995 37.153 38.487 -0.564 0.000 0.971 158 N HN 0.070 nan 8.380 nan 0.000 0.441 159 F N 0.079 119.994 119.950 -0.058 0.000 2.809 159 F HA 0.403 4.930 4.527 0.000 0.000 0.369 159 F C -2.004 173.806 175.800 0.017 0.000 1.225 159 F CA -1.841 56.164 58.000 0.007 0.000 1.201 159 F CB 2.421 41.429 39.000 0.014 0.000 1.527 159 F HN -0.136 nan 8.300 nan 0.000 0.565 160 P HA 0.093 nan 4.420 nan 0.000 0.249 160 P C 0.933 178.295 177.300 0.103 0.000 1.229 160 P CA 0.627 63.793 63.100 0.110 0.000 0.788 160 P CB 0.571 32.334 31.700 0.104 0.000 1.072 161 A N 0.189 123.079 122.820 0.116 0.000 1.944 161 A HA 0.425 4.745 4.320 0.000 0.000 0.209 161 A C 2.217 179.834 177.584 0.055 0.000 1.328 161 A CA 0.938 53.029 52.037 0.090 0.000 0.693 161 A CB -1.194 17.862 19.000 0.093 0.000 0.994 161 A HN 0.098 nan 8.150 nan 0.000 0.485 162 A N -0.907 121.973 122.820 0.100 0.000 1.969 162 A HA -0.021 4.299 4.320 0.000 0.000 0.218 162 A C 2.006 179.471 177.584 -0.199 0.000 1.169 162 A CA 1.813 53.818 52.037 -0.053 0.000 0.635 162 A CB -0.471 18.555 19.000 0.043 0.000 0.810 162 A HN 0.364 nan 8.150 nan 0.000 0.445 163 M N -0.468 119.086 119.600 -0.077 0.000 2.374 163 M HA 0.061 4.541 4.480 0.000 0.000 0.264 163 M C 1.853 178.080 176.300 -0.122 0.000 1.067 163 M CA 0.818 56.039 55.300 -0.131 0.000 1.103 163 M CB -1.113 31.447 32.600 -0.068 0.000 1.402 163 M HN 0.430 nan 8.290 nan 0.000 0.444 164 I N -0.515 120.016 120.570 -0.064 0.000 2.339 164 I HA -0.214 3.956 4.170 0.000 0.000 0.245 164 I C 2.315 178.405 176.117 -0.045 0.000 1.096 164 I CA 1.565 62.853 61.300 -0.020 0.000 1.408 164 I CB -0.437 37.593 38.000 0.050 0.000 1.092 164 I HN 0.330 nan 8.210 nan 0.000 0.423 165 T N -1.386 113.109 114.554 -0.098 0.000 2.904 165 T HA -0.117 4.233 4.350 0.000 0.000 0.267 165 T C 1.962 176.556 174.700 -0.178 0.000 1.059 165 T CA 0.719 62.756 62.100 -0.106 0.000 1.137 165 T CB -0.389 68.400 68.868 -0.132 0.000 0.879 165 T HN 0.223 nan 8.240 nan 0.000 0.467 166 R N 1.106 121.336 120.500 -0.450 0.000 2.200 166 R HA 0.049 4.389 4.340 0.000 0.000 0.234 166 R C 2.401 178.528 176.300 -0.288 0.000 1.127 166 R CA 1.266 56.991 56.100 -0.625 0.000 0.989 166 R CB -0.074 29.681 30.300 -0.909 0.000 0.869 166 R HN 0.497 nan 8.270 nan 0.000 0.459 167 K N -0.943 119.342 120.400 -0.192 0.000 2.240 167 K HA 0.186 4.506 4.320 0.000 0.000 0.202 167 K C 1.972 178.417 176.600 -0.258 0.000 1.053 167 K CA 0.650 56.859 56.287 -0.130 0.000 0.973 167 K CB 0.212 32.707 32.500 -0.009 0.000 0.924 167 K HN 0.023 nan 8.250 nan 0.000 0.477 168 A N 1.682 124.431 122.820 -0.118 0.000 1.929 168 A HA 0.038 4.358 4.320 0.000 0.000 0.216 168 A C 2.332 179.899 177.584 -0.028 0.000 1.176 168 A CA 1.515 53.522 52.037 -0.051 0.000 0.628 168 A CB -0.545 18.535 19.000 0.134 0.000 0.816 168 A HN 0.276 nan 8.150 nan 0.000 0.444 169 A N 0.726 123.553 122.820 0.012 0.000 1.865 169 A HA -0.072 4.248 4.320 0.000 0.000 0.217 169 A C 0.413 177.900 177.584 -0.163 0.000 1.191 169 A CA 1.869 53.963 52.037 0.096 0.000 0.623 169 A CB -1.547 17.609 19.000 0.260 0.000 0.826 169 A HN 0.496 nan 8.150 nan 0.000 0.444 170 P HA -0.069 nan 4.420 nan 0.000 0.217 170 P C 1.619 178.551 177.300 -0.612 0.000 1.151 170 P CA 1.830 64.359 63.100 -0.953 0.000 0.828 170 P CB -0.164 30.751 31.700 -1.309 0.000 0.788 171 A N 0.262 122.553 122.820 -0.882 0.000 1.851 171 A HA -0.173 4.147 4.320 0.000 0.000 0.216 171 A C 2.278 179.792 177.584 -0.116 0.000 1.195 171 A CA 1.716 53.345 52.037 -0.680 0.000 0.622 171 A CB -1.708 16.924 19.000 -0.613 0.000 0.831 171 A HN 0.079 nan 8.150 nan 0.000 0.444 172 L N -0.297 120.918 121.223 -0.014 0.000 2.042 172 L HA -0.155 4.185 4.340 0.000 0.000 0.210 172 L C 3.020 180.132 176.870 0.402 0.000 1.076 172 L CA 1.904 56.925 54.840 0.301 0.000 0.749 172 L CB -0.797 41.391 42.059 0.215 0.000 0.893 172 L HN 0.417 nan 8.230 nan 0.000 0.432 173 A N -0.682 122.254 122.820 0.192 0.000 1.908 173 A HA -0.193 4.127 4.320 0.000 0.000 0.218 173 A C 2.392 180.005 177.584 0.048 0.000 1.181 173 A CA 1.836 53.947 52.037 0.124 0.000 0.627 173 A CB -0.918 18.173 19.000 0.153 0.000 0.818 173 A HN 0.398 nan 8.150 nan 0.000 0.445 174 A N -2.177 120.674 122.820 0.052 0.000 2.168 174 A HA 0.376 4.696 4.320 0.000 0.000 0.215 174 A C 1.835 179.439 177.584 0.033 0.000 1.152 174 A CA 1.416 53.482 52.037 0.049 0.000 0.716 174 A CB -0.802 18.258 19.000 0.100 0.000 0.794 174 A HN 1.960 nan 8.150 nan 0.000 0.465 175 G N -2.514 106.322 108.800 0.059 0.000 2.148 175 G HA2 -0.207 3.753 3.960 0.000 0.000 0.203 175 G HA3 -0.207 3.753 3.960 0.000 0.000 0.203 175 G C 0.165 175.223 174.900 0.264 0.000 0.993 175 G CA -0.103 45.004 45.100 0.012 0.000 0.661 175 G HN 0.564 nan 8.290 nan 0.000 0.518 176 C N 1.183 120.655 119.300 0.287 0.000 2.422 176 C HA 0.859 5.319 4.460 0.000 0.000 0.364 176 C C 1.254 176.366 174.990 0.203 0.000 1.251 176 C CA 0.451 59.608 59.018 0.233 0.000 2.441 176 C CB 0.966 28.812 27.740 0.176 0.000 2.393 176 C HN 0.855 nan 8.230 nan 0.000 0.606 177 T N -0.033 114.563 114.554 0.069 0.000 2.945 177 T HA 0.710 5.061 4.350 0.000 0.000 0.286 177 T C -0.776 173.889 174.700 -0.060 0.000 1.025 177 T CA -0.619 61.428 62.100 -0.088 0.000 1.039 177 T CB 1.427 70.238 68.868 -0.096 0.000 1.068 177 T HN 0.762 nan 8.240 nan 0.000 0.497 178 M N 2.002 121.535 119.600 -0.113 0.000 2.378 178 M HA 0.584 5.064 4.480 0.000 0.000 0.289 178 M C -2.133 174.123 176.300 -0.074 0.000 1.136 178 M CA -0.925 54.339 55.300 -0.060 0.000 0.917 178 M CB 1.828 34.396 32.600 -0.054 0.000 1.669 178 M HN 0.695 nan 8.290 nan 0.000 0.461 179 I N 4.727 125.276 120.570 -0.034 0.000 2.339 179 I HA 0.438 4.608 4.170 0.000 0.000 0.290 179 I C -0.929 175.186 176.117 -0.003 0.000 0.994 179 I CA -0.890 60.389 61.300 -0.034 0.000 1.191 179 I CB 1.724 39.709 38.000 -0.025 0.000 1.343 179 I HN 0.354 nan 8.210 nan 0.000 0.458 180 V N 6.927 126.838 119.914 -0.004 0.000 2.398 180 V HA 0.437 4.558 4.120 0.000 0.000 0.286 180 V C 0.079 176.193 176.094 0.034 0.000 1.026 180 V CA -0.704 61.611 62.300 0.025 0.000 0.868 180 V CB 1.719 33.562 31.823 0.033 0.000 0.982 180 V HN 0.694 nan 8.190 nan 0.000 0.443 181 R N 7.418 127.950 120.500 0.054 0.000 2.288 181 R HA 0.478 4.818 4.340 0.000 0.000 0.326 181 R C -2.708 173.639 176.300 0.077 0.000 0.959 181 R CA -1.587 54.550 56.100 0.062 0.000 0.834 181 R CB 2.009 32.349 30.300 0.066 0.000 1.157 181 R HN 0.479 nan 8.270 nan 0.000 0.470 182 P HA 0.170 nan 4.420 nan 0.000 0.278 182 P C -0.860 176.501 177.300 0.103 0.000 1.266 182 P CA -0.463 62.690 63.100 0.087 0.000 0.807 182 P CB 0.976 32.731 31.700 0.091 0.000 1.094 183 A N 1.096 123.990 122.820 0.123 0.000 2.440 183 A HA 0.096 4.416 4.320 0.000 0.000 0.251 183 A C 1.174 178.837 177.584 0.132 0.000 1.089 183 A CA -0.130 52.002 52.037 0.159 0.000 0.779 183 A CB -0.593 18.559 19.000 0.254 0.000 1.022 183 A HN 0.485 nan 8.150 nan 0.000 0.492 184 D N 1.624 122.090 120.400 0.109 0.000 2.172 184 D HA -0.176 4.464 4.640 0.000 0.000 0.196 184 D C 1.664 177.995 176.300 0.051 0.000 0.999 184 D CA 1.553 55.595 54.000 0.070 0.000 0.856 184 D CB -0.130 40.700 40.800 0.050 0.000 0.934 184 D HN 0.602 nan 8.370 nan 0.000 0.453 185 L N -0.186 121.066 121.223 0.048 0.000 2.275 185 L HA -0.060 4.281 4.340 0.000 0.000 0.215 185 L C 1.009 177.901 176.870 0.035 0.000 1.119 185 L CA 1.232 56.065 54.840 -0.010 0.000 0.790 185 L CB -0.105 41.869 42.059 -0.141 0.000 0.919 185 L HN 0.104 nan 8.230 nan 0.000 0.443 186 T N -5.354 109.260 114.554 0.100 0.000 3.866 186 T HA 0.243 4.593 4.350 0.000 0.000 0.241 186 T C -2.021 172.739 174.700 0.099 0.000 1.017 186 T CA -0.900 61.262 62.100 0.102 0.000 1.300 186 T CB 0.569 69.529 68.868 0.154 0.000 0.968 186 T HN -0.085 nan 8.240 nan 0.000 0.595 187 P HA 0.174 nan 4.420 nan 0.000 0.231 187 P C 1.452 178.805 177.300 0.089 0.000 1.168 187 P CA 0.056 63.209 63.100 0.088 0.000 0.779 187 P CB 0.238 31.986 31.700 0.080 0.000 0.844 188 L N -0.637 120.630 121.223 0.073 0.000 2.156 188 L HA -0.047 4.293 4.340 0.000 0.000 0.208 188 L C 2.477 179.393 176.870 0.077 0.000 1.095 188 L CA 1.412 56.293 54.840 0.067 0.000 0.770 188 L CB -1.736 40.348 42.059 0.042 0.000 0.914 188 L HN -0.049 nan 8.230 nan 0.000 0.439 189 T N 0.261 114.862 114.554 0.078 0.000 2.788 189 T HA -0.164 4.186 4.350 0.000 0.000 0.268 189 T C 2.071 176.837 174.700 0.110 0.000 1.044 189 T CA 1.390 63.540 62.100 0.084 0.000 1.139 189 T CB -0.156 68.759 68.868 0.079 0.000 0.867 189 T HN 0.453 nan 8.240 nan 0.000 0.454 190 A N 1.142 124.033 122.820 0.118 0.000 1.898 190 A HA 0.075 4.395 4.320 0.000 0.000 0.216 190 A C 2.273 179.965 177.584 0.179 0.000 1.181 190 A CA 1.019 53.140 52.037 0.140 0.000 0.620 190 A CB -0.726 18.346 19.000 0.121 0.000 0.819 190 A HN 0.473 nan 8.150 nan 0.000 0.442 191 L N -0.770 120.563 121.223 0.183 0.000 2.093 191 L HA -0.175 4.165 4.340 0.000 0.000 0.208 191 L C 3.067 180.089 176.870 0.253 0.000 1.085 191 L CA 0.981 55.983 54.840 0.270 0.000 0.755 191 L CB -0.569 41.630 42.059 0.234 0.000 0.904 191 L HN 0.435 nan 8.230 nan 0.000 0.435 192 A N 0.270 123.183 122.820 0.156 0.000 1.902 192 A HA -0.149 4.171 4.320 0.000 0.000 0.217 192 A C 2.255 179.958 177.584 0.198 0.000 1.181 192 A CA 1.315 53.428 52.037 0.127 0.000 0.623 192 A CB -0.654 18.395 19.000 0.082 0.000 0.818 192 A HN 0.356 nan 8.150 nan 0.000 0.443 193 L N -0.724 120.641 121.223 0.237 0.000 2.083 193 L HA -0.136 4.204 4.340 0.000 0.000 0.209 193 L C 2.794 179.925 176.870 0.436 0.000 1.083 193 L CA 1.031 56.092 54.840 0.368 0.000 0.752 193 L CB -0.783 41.494 42.059 0.362 0.000 0.899 193 L HN 0.502 nan 8.230 nan 0.000 0.433 194 G N -0.357 108.637 108.800 0.323 0.000 2.402 194 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 194 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 194 G C 1.601 176.697 174.900 0.327 0.000 1.162 194 G CA 0.814 46.065 45.100 0.252 0.000 0.777 194 G HN 0.174 nan 8.290 nan 0.000 0.539 195 V N 1.173 121.335 119.914 0.413 0.000 2.282 195 V HA -0.190 3.930 4.120 0.000 0.000 0.249 195 V C 2.900 179.119 176.094 0.207 0.000 1.057 195 V CA 1.683 64.164 62.300 0.301 0.000 1.032 195 V CB -0.514 31.360 31.823 0.084 0.000 0.645 195 V HN 0.350 nan 8.190 nan 0.000 0.447 196 L N -0.178 121.186 121.223 0.236 0.000 2.201 196 L HA -0.089 4.252 4.340 0.000 0.000 0.212 196 L C 2.646 179.621 176.870 0.175 0.000 1.105 196 L CA 1.136 56.134 54.840 0.263 0.000 0.775 196 L CB -0.734 41.541 42.059 0.362 0.000 0.913 196 L HN 0.360 nan 8.230 nan 0.000 0.440 197 A N -0.172 122.612 122.820 -0.060 0.000 1.873 197 A HA -0.198 4.122 4.320 0.000 0.000 0.215 197 A C 2.217 179.599 177.584 -0.336 0.000 1.186 197 A CA 1.339 52.962 52.037 -0.690 0.000 0.616 197 A CB -0.384 18.078 19.000 -0.897 0.000 0.823 197 A HN 0.363 nan 8.150 nan 0.000 0.442 198 E N -0.484 119.631 120.200 -0.141 0.000 2.033 198 E HA -0.287 4.063 4.350 0.000 0.000 0.199 198 E C 2.103 178.695 176.600 -0.014 0.000 1.011 198 E CA 1.823 58.191 56.400 -0.054 0.000 0.815 198 E CB -0.134 29.616 29.700 0.083 0.000 0.755 198 E HN 0.495 nan 8.360 nan 0.000 0.451 199 K N 0.528 120.950 120.400 0.037 0.000 2.211 199 K HA -0.134 4.186 4.320 0.000 0.000 0.204 199 K C 1.607 178.239 176.600 0.052 0.000 1.047 199 K CA 1.301 57.621 56.287 0.055 0.000 0.935 199 K CB -0.176 32.372 32.500 0.081 0.000 0.728 199 K HN 0.124 nan 8.250 nan 0.000 0.452 200 A N -0.687 122.157 122.820 0.040 0.000 2.167 200 A HA 0.209 4.529 4.320 0.000 0.000 0.214 200 A C 1.512 179.122 177.584 0.043 0.000 1.151 200 A CA 0.951 53.031 52.037 0.072 0.000 0.735 200 A CB -0.550 18.519 19.000 0.115 0.000 0.802 200 A HN 0.546 nan 8.150 nan 0.000 0.467 201 G N -1.121 107.677 108.800 -0.003 0.000 2.141 201 G HA2 -0.205 3.755 3.960 0.000 0.000 0.231 201 G HA3 -0.205 3.755 3.960 0.000 0.000 0.231 201 G C 0.118 175.002 174.900 -0.027 0.000 0.984 201 G CA 0.035 45.138 45.100 0.006 0.000 0.660 201 G HN 0.451 nan 8.290 nan 0.000 0.525 202 I N 2.366 122.847 120.570 -0.148 0.000 2.662 202 I HA 0.166 4.337 4.170 0.000 0.000 0.285 202 I C -1.414 174.534 176.117 -0.281 0.000 1.161 202 I CA -1.385 59.727 61.300 -0.314 0.000 1.415 202 I CB 0.629 38.304 38.000 -0.543 0.000 1.385 202 I HN -0.059 nan 8.210 nan 0.000 0.552 203 P HA 0.061 nan 4.420 nan 0.000 0.272 203 P C -0.516 176.657 177.300 -0.210 0.000 1.223 203 P CA -0.374 62.633 63.100 -0.155 0.000 0.784 203 P CB 0.583 32.250 31.700 -0.054 0.000 0.923 204 A N 2.657 125.388 122.820 -0.148 0.000 2.583 204 A HA 0.309 4.630 4.320 0.000 0.000 0.249 204 A C 1.597 179.080 177.584 -0.169 0.000 1.035 204 A CA 1.044 52.987 52.037 -0.156 0.000 0.777 204 A CB -1.675 17.261 19.000 -0.106 0.000 0.942 204 A HN 0.907 nan 8.150 nan 0.000 0.516 205 G N 1.158 109.835 108.800 -0.205 0.000 2.217 205 G HA2 -0.269 3.691 3.960 0.000 0.000 0.246 205 G HA3 -0.269 3.691 3.960 0.000 0.000 0.246 205 G C 0.946 175.708 174.900 -0.229 0.000 0.990 205 G CA 0.588 45.576 45.100 -0.186 0.000 0.627 205 G HN 1.258 nan 8.290 nan 0.000 0.522 206 V N -0.182 119.535 119.914 -0.328 0.000 2.379 206 V HA 0.315 4.435 4.120 0.000 0.000 0.245 206 V C 1.177 177.004 176.094 -0.444 0.000 1.044 206 V CA 1.970 63.977 62.300 -0.488 0.000 1.036 206 V CB 0.031 31.323 31.823 -0.884 0.000 0.664 206 V HN 0.476 nan 8.190 nan 0.000 0.453 207 L N 0.466 121.438 121.223 -0.418 0.000 2.362 207 L HA 0.557 4.897 4.340 0.000 0.000 0.275 207 L C -0.786 175.917 176.870 -0.278 0.000 0.998 207 L CA 0.058 54.697 54.840 -0.335 0.000 0.820 207 L CB 1.815 43.630 42.059 -0.407 0.000 1.270 207 L HN 0.217 nan 8.230 nan 0.000 0.415 208 Q N 5.423 125.099 119.800 -0.207 0.000 2.331 208 Q HA 0.620 4.960 4.340 0.000 0.000 0.272 208 Q C -1.478 174.445 176.000 -0.129 0.000 1.062 208 Q CA -0.559 55.127 55.803 -0.196 0.000 0.806 208 Q CB 3.036 31.673 28.738 -0.170 0.000 1.312 208 Q HN 0.583 nan 8.270 nan 0.000 0.431 209 I N 2.502 122.994 120.570 -0.131 0.000 2.411 209 I HA 0.404 4.575 4.170 0.000 0.000 0.284 209 I C -0.477 175.617 176.117 -0.037 0.000 1.012 209 I CA -1.094 60.177 61.300 -0.049 0.000 1.119 209 I CB 1.523 39.524 38.000 0.001 0.000 1.261 209 I HN 0.306 nan 8.210 nan 0.000 0.448 210 V N 2.198 122.107 119.914 -0.008 0.000 2.555 210 V HA 0.797 4.917 4.120 0.000 0.000 0.302 210 V C 0.084 176.197 176.094 0.032 0.000 1.038 210 V CA -0.360 61.942 62.300 0.003 0.000 0.887 210 V CB 1.417 33.236 31.823 -0.007 0.000 0.991 210 V HN 0.769 nan 8.190 nan 0.000 0.434 211 T N 0.972 115.550 114.554 0.040 0.000 2.918 211 T HA 1.002 5.352 4.350 0.000 0.000 0.286 211 T C 0.258 174.982 174.700 0.041 0.000 1.026 211 T CA -0.033 62.097 62.100 0.050 0.000 1.031 211 T CB 1.465 70.370 68.868 0.061 0.000 1.046 211 T HN 2.235 nan 8.240 nan 0.000 0.479 212 G N 1.104 109.930 108.800 0.043 0.000 2.350 212 G HA2 0.227 4.187 3.960 0.000 0.000 0.282 212 G HA3 0.227 4.187 3.960 0.000 0.000 0.282 212 G C -1.636 173.287 174.900 0.038 0.000 1.314 212 G CA -1.223 43.898 45.100 0.036 0.000 0.915 212 G HN 0.801 nan 8.290 nan 0.000 0.499 213 K N 0.685 121.103 120.400 0.031 0.000 2.412 213 K HA 0.450 4.770 4.320 0.000 0.000 0.281 213 K C 1.447 178.069 176.600 0.037 0.000 1.027 213 K CA 0.342 56.648 56.287 0.032 0.000 0.989 213 K CB 1.573 34.087 32.500 0.023 0.000 0.935 213 K HN 0.710 nan 8.250 nan 0.000 0.475 214 A N 4.162 127.010 122.820 0.047 0.000 1.877 214 A HA -0.212 4.108 4.320 0.000 0.000 0.216 214 A C 2.195 179.800 177.584 0.035 0.000 1.186 214 A CA 1.628 53.699 52.037 0.057 0.000 0.620 214 A CB -0.332 18.715 19.000 0.079 0.000 0.822 214 A HN 0.889 nan 8.150 nan 0.000 0.443 215 R N -0.369 120.145 120.500 0.023 0.000 2.066 215 R HA -0.169 4.171 4.340 0.000 0.000 0.232 215 R C 1.984 178.286 176.300 0.004 0.000 1.131 215 R CA 1.897 58.001 56.100 0.007 0.000 0.955 215 R CB -0.297 30.006 30.300 0.004 0.000 0.851 215 R HN 0.485 nan 8.270 nan 0.000 0.432 216 E N 0.569 120.775 120.200 0.009 0.000 2.051 216 E HA -0.142 4.208 4.350 0.000 0.000 0.192 216 E C 1.931 178.535 176.600 0.007 0.000 0.991 216 E CA 1.701 58.105 56.400 0.006 0.000 0.799 216 E CB -0.118 29.587 29.700 0.008 0.000 0.748 216 E HN 0.411 nan 8.360 nan 0.000 0.449 217 I N 0.105 120.683 120.570 0.014 0.000 2.252 217 I HA -0.150 4.020 4.170 0.000 0.000 0.245 217 I C 2.376 178.502 176.117 0.014 0.000 1.102 217 I CA 1.150 62.460 61.300 0.016 0.000 1.385 217 I CB -0.621 37.395 38.000 0.025 0.000 1.064 217 I HN 0.195 nan 8.210 nan 0.000 0.414 218 G N 0.706 109.515 108.800 0.014 0.000 2.442 218 G HA2 -0.246 3.714 3.960 0.000 0.000 0.219 218 G HA3 -0.246 3.714 3.960 0.000 0.000 0.219 218 G C 1.868 176.760 174.900 -0.014 0.000 1.141 218 G CA 0.868 45.968 45.100 0.000 0.000 0.763 218 G HN 0.487 nan 8.290 nan 0.000 0.554 219 A N 0.671 123.483 122.820 -0.013 0.000 1.902 219 A HA -0.008 4.312 4.320 0.000 0.000 0.217 219 A C 2.193 179.771 177.584 -0.010 0.000 1.181 219 A CA 2.208 54.236 52.037 -0.016 0.000 0.623 219 A CB -0.366 18.626 19.000 -0.013 0.000 0.818 219 A HN 0.386 nan 8.150 nan 0.000 0.443 220 E N 0.226 120.423 120.200 -0.005 0.000 2.106 220 E HA -0.075 4.275 4.350 0.000 0.000 0.192 220 E C 1.806 178.405 176.600 -0.002 0.000 0.984 220 E CA 1.028 57.426 56.400 -0.003 0.000 0.806 220 E CB -0.427 29.272 29.700 -0.001 0.000 0.750 220 E HN 0.585 nan 8.360 nan 0.000 0.458 221 L N 0.161 121.385 121.223 0.001 0.000 2.131 221 L HA -0.134 4.206 4.340 0.000 0.000 0.210 221 L C 2.291 179.161 176.870 0.001 0.000 1.092 221 L CA 1.786 56.629 54.840 0.005 0.000 0.759 221 L CB -0.560 41.508 42.059 0.015 0.000 0.903 221 L HN 0.318 nan 8.230 nan 0.000 0.435 222 T N -5.480 109.069 114.554 -0.008 0.000 3.044 222 T HA 0.023 4.374 4.350 0.000 0.000 0.250 222 T C 1.733 176.426 174.700 -0.013 0.000 1.081 222 T CA 0.539 62.631 62.100 -0.014 0.000 1.040 222 T CB 0.126 68.977 68.868 -0.029 0.000 0.962 222 T HN 0.343 nan 8.240 nan 0.000 0.506 223 S N 0.763 116.457 115.700 -0.011 0.000 2.492 223 S HA 0.154 4.624 4.470 0.000 0.000 0.218 223 S C 0.882 175.479 174.600 -0.006 0.000 1.016 223 S CA -0.485 57.709 58.200 -0.009 0.000 0.916 223 S CB -0.571 62.623 63.200 -0.010 0.000 0.791 223 S HN 0.416 nan 8.310 nan 0.000 0.513 224 N N 2.342 121.039 118.700 -0.004 0.000 2.452 224 N HA 0.063 4.803 4.740 0.000 0.000 0.266 224 N C -0.281 175.228 175.510 -0.001 0.000 1.175 224 N CA 0.303 53.351 53.050 -0.003 0.000 0.945 224 N CB 0.965 39.451 38.487 -0.002 0.000 1.063 224 N HN 0.100 nan 8.380 nan 0.000 0.472 225 D N 2.068 122.468 120.400 -0.001 0.000 2.190 225 D HA -0.141 4.499 4.640 0.000 0.000 0.200 225 D C 1.226 177.528 176.300 0.004 0.000 0.992 225 D CA 1.618 55.618 54.000 0.001 0.000 0.854 225 D CB 0.257 41.058 40.800 0.001 0.000 0.936 225 D HN 0.578 nan 8.370 nan 0.000 0.462 226 T N -0.217 114.339 114.554 0.004 0.000 2.821 226 T HA -0.038 4.312 4.350 0.000 0.000 0.267 226 T C 0.900 175.606 174.700 0.010 0.000 1.046 226 T CA 0.284 62.388 62.100 0.006 0.000 1.139 226 T CB 0.000 68.870 68.868 0.003 0.000 0.871 226 T HN -0.060 nan 8.240 nan 0.000 0.454 227 V N 3.093 123.012 119.914 0.009 0.000 2.485 227 V HA 0.081 4.201 4.120 0.000 0.000 0.287 227 V C 1.249 177.352 176.094 0.014 0.000 1.022 227 V CA 0.415 62.724 62.300 0.014 0.000 1.067 227 V CB 0.494 32.324 31.823 0.013 0.000 0.967 227 V HN 0.338 nan 8.190 nan 0.000 0.479 228 R N 3.201 123.713 120.500 0.021 0.000 2.335 228 R HA 0.253 4.593 4.340 0.000 0.000 0.210 228 R C 0.420 176.726 176.300 0.009 0.000 0.892 228 R CA -0.056 56.054 56.100 0.016 0.000 1.048 228 R CB 0.693 31.007 30.300 0.024 0.000 1.067 228 R HN 0.691 nan 8.270 nan 0.000 0.524 229 K N 0.745 121.154 120.400 0.015 0.000 2.557 229 K HA 0.255 4.575 4.320 0.000 0.000 0.257 229 K C -2.076 174.535 176.600 0.020 0.000 0.933 229 K CA -0.699 55.585 56.287 -0.005 0.000 0.820 229 K CB 1.612 34.087 32.500 -0.041 0.000 1.330 229 K HN -0.085 nan 8.250 nan 0.000 0.432 230 L N 2.312 123.541 121.223 0.010 0.000 2.346 230 L HA 0.645 4.985 4.340 0.000 0.000 0.276 230 L C -1.304 175.600 176.870 0.057 0.000 1.006 230 L CA 0.111 54.978 54.840 0.045 0.000 0.817 230 L CB 2.110 44.189 42.059 0.033 0.000 1.272 230 L HN 0.637 nan 8.230 nan 0.000 0.421 231 S N 4.687 120.453 115.700 0.110 0.000 2.519 231 S HA 0.697 5.167 4.470 0.000 0.000 0.309 231 S C -1.281 173.438 174.600 0.199 0.000 1.100 231 S CA -0.425 57.854 58.200 0.133 0.000 1.059 231 S CB 0.377 63.669 63.200 0.154 0.000 1.008 231 S HN 0.516 nan 8.310 nan 0.000 0.478 232 F N 3.497 123.460 119.950 0.021 0.000 2.556 232 F HA 0.683 5.210 4.527 0.000 0.000 0.314 232 F C -0.645 175.163 175.800 0.015 0.000 1.106 232 F CA -0.187 57.824 58.000 0.018 0.000 0.911 232 F CB 2.093 41.103 39.000 0.016 0.000 1.190 232 F HN 0.421 nan 8.300 nan 0.000 0.448 233 T N 4.375 118.472 114.554 -0.762 0.000 2.841 233 T HA 0.802 5.152 4.350 0.000 0.000 0.285 233 T C -0.206 173.764 174.700 -1.216 0.000 0.991 233 T CA -0.192 61.469 62.100 -0.733 0.000 0.966 233 T CB 1.211 69.876 68.868 -0.339 0.000 0.962 233 T HN 1.162 nan 8.240 nan 0.000 0.438 234 G N 1.832 110.073 108.800 -0.932 0.000 2.404 234 G HA2 0.401 4.361 3.960 0.000 0.000 0.253 234 G HA3 0.401 4.361 3.960 0.000 0.000 0.253 234 G C -0.593 174.271 174.900 -0.061 0.000 1.253 234 G CA -0.280 44.491 45.100 -0.549 0.000 0.917 234 G HN 0.981 nan 8.290 nan 0.000 0.480 235 S N -0.259 115.533 115.700 0.154 0.000 2.572 235 S HA 0.406 4.876 4.470 0.000 0.000 0.279 235 S C 1.473 176.226 174.600 0.255 0.000 1.341 235 S CA 1.098 59.380 58.200 0.135 0.000 1.043 235 S CB 1.207 64.465 63.200 0.096 0.000 0.887 235 S HN 1.013 nan 8.310 nan 0.000 0.516 236 T N 2.557 117.227 114.554 0.193 0.000 2.759 236 T HA -0.143 4.208 4.350 0.000 0.000 0.269 236 T C 1.459 176.250 174.700 0.151 0.000 1.042 236 T CA 2.069 64.303 62.100 0.224 0.000 1.140 236 T CB -0.534 68.535 68.868 0.334 0.000 0.864 236 T HN 0.775 nan 8.240 nan 0.000 0.455 237 E N 0.673 120.947 120.200 0.122 0.000 2.058 237 E HA -0.077 4.273 4.350 0.000 0.000 0.194 237 E C 2.386 178.998 176.600 0.019 0.000 0.997 237 E CA 0.831 57.272 56.400 0.068 0.000 0.801 237 E CB -0.637 29.100 29.700 0.062 0.000 0.746 237 E HN 0.266 nan 8.360 nan 0.000 0.450 238 V N 0.501 120.430 119.914 0.024 0.000 2.427 238 V HA -0.170 3.950 4.120 0.000 0.000 0.248 238 V C 2.245 178.131 176.094 -0.347 0.000 1.051 238 V CA 1.829 64.052 62.300 -0.128 0.000 1.048 238 V CB -1.152 30.633 31.823 -0.063 0.000 0.666 238 V HN 0.438 nan 8.190 nan 0.000 0.456 239 G N 0.221 108.913 108.800 -0.179 0.000 2.476 239 G HA2 -0.296 3.665 3.960 0.000 0.000 0.218 239 G HA3 -0.296 3.665 3.960 0.000 0.000 0.218 239 G C 1.749 176.580 174.900 -0.115 0.000 1.164 239 G CA 1.008 46.019 45.100 -0.148 0.000 0.768 239 G HN 0.447 nan 8.290 nan 0.000 0.560 240 R N -0.288 120.183 120.500 -0.048 0.000 2.096 240 R HA 0.077 4.417 4.340 0.000 0.000 0.235 240 R C 2.643 178.903 176.300 -0.068 0.000 1.127 240 R CA 0.955 57.032 56.100 -0.038 0.000 0.968 240 R CB -0.395 29.897 30.300 -0.013 0.000 0.861 240 R HN 0.347 nan 8.270 nan 0.000 0.440 241 L N 0.247 121.413 121.223 -0.096 0.000 2.109 241 L HA -0.130 4.211 4.340 0.000 0.000 0.207 241 L C 2.259 179.056 176.870 -0.121 0.000 1.086 241 L CA 0.979 55.762 54.840 -0.095 0.000 0.760 241 L CB -0.326 41.679 42.059 -0.090 0.000 0.910 241 L HN 0.180 nan 8.230 nan 0.000 0.437 242 L N -0.859 120.247 121.223 -0.195 0.000 2.056 242 L HA -0.234 4.106 4.340 0.000 0.000 0.207 242 L C 2.660 179.461 176.870 -0.115 0.000 1.078 242 L CA 1.266 55.988 54.840 -0.197 0.000 0.749 242 L CB -0.358 41.492 42.059 -0.349 0.000 0.901 242 L HN 0.333 nan 8.230 nan 0.000 0.433 243 M N -0.200 119.343 119.600 -0.095 0.000 2.108 243 M HA -0.225 4.255 4.480 0.000 0.000 0.261 243 M C 2.272 178.545 176.300 -0.044 0.000 1.066 243 M CA 2.121 57.389 55.300 -0.053 0.000 1.107 243 M CB -0.087 32.492 32.600 -0.036 0.000 1.356 243 M HN 0.243 nan 8.290 nan 0.000 0.406 244 A N -0.350 122.441 122.820 -0.048 0.000 1.929 244 A HA -0.167 4.153 4.320 0.000 0.000 0.216 244 A C 1.907 179.469 177.584 -0.037 0.000 1.176 244 A CA 1.488 53.502 52.037 -0.038 0.000 0.628 244 A CB -0.647 18.331 19.000 -0.036 0.000 0.816 244 A HN 0.702 nan 8.150 nan 0.000 0.444 245 Q N -1.101 118.671 119.800 -0.047 0.000 2.167 245 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 245 Q C 1.985 177.965 176.000 -0.033 0.000 0.970 245 Q CA 1.460 57.239 55.803 -0.041 0.000 0.855 245 Q CB -0.370 28.337 28.738 -0.051 0.000 0.911 245 Q HN 0.744 nan 8.270 nan 0.000 0.438 246 C N -0.036 119.242 119.300 -0.035 0.000 2.481 246 C HA 0.070 4.530 4.460 0.000 0.000 0.275 246 C C 2.650 177.627 174.990 -0.020 0.000 1.419 246 C CA 0.281 59.283 59.018 -0.026 0.000 1.773 246 C CB -1.065 26.659 27.740 -0.026 0.000 1.862 246 C HN 0.569 nan 8.230 nan 0.000 0.530 247 A N 2.064 124.871 122.820 -0.022 0.000 1.902 247 A HA -0.095 4.225 4.320 0.000 0.000 0.217 247 A C 0.184 177.759 177.584 -0.014 0.000 1.181 247 A CA 1.626 53.653 52.037 -0.018 0.000 0.623 247 A CB -1.743 17.245 19.000 -0.019 0.000 0.818 247 A HN 0.452 nan 8.150 nan 0.000 0.443 248 P HA -0.072 nan 4.420 nan 0.000 0.225 248 P C 0.904 178.199 177.300 -0.009 0.000 1.148 248 P CA 1.844 64.937 63.100 -0.011 0.000 0.779 248 P CB -0.053 31.640 31.700 -0.011 0.000 0.780 249 T N -4.987 109.562 114.554 -0.009 0.000 3.231 249 T HA 0.202 4.552 4.350 0.000 0.000 0.292 249 T C 0.535 175.231 174.700 -0.006 0.000 1.001 249 T CA -0.467 61.630 62.100 -0.006 0.000 0.920 249 T CB -0.476 68.389 68.868 -0.005 0.000 1.140 249 T HN -0.147 nan 8.240 nan 0.000 0.525 250 I N 0.500 121.065 120.570 -0.008 0.000 6.532 250 I HA -0.222 3.948 4.170 0.000 0.000 0.126 250 I C 0.128 176.239 176.117 -0.009 0.000 1.811 250 I CA 0.630 61.925 61.300 -0.009 0.000 2.115 250 I CB -2.261 35.736 38.000 -0.006 0.000 3.474 250 I HN 0.553 nan 8.210 nan 0.000 0.192 251 K N 2.193 122.586 120.400 -0.011 0.000 2.401 251 K HA 0.211 4.531 4.320 0.000 0.000 0.278 251 K C 0.984 177.573 176.600 -0.018 0.000 1.018 251 K CA -0.649 55.631 56.287 -0.012 0.000 0.981 251 K CB 0.814 33.307 32.500 -0.011 0.000 0.933 251 K HN 0.167 nan 8.250 nan 0.000 0.477 252 R N 1.962 122.448 120.500 -0.024 0.000 2.698 252 R HA 0.129 4.469 4.340 0.000 0.000 0.266 252 R C 0.095 176.367 176.300 -0.047 0.000 1.026 252 R CA 0.153 56.228 56.100 -0.042 0.000 1.102 252 R CB -0.003 30.260 30.300 -0.062 0.000 0.978 252 R HN 0.586 nan 8.270 nan 0.000 0.436 253 I N -0.036 120.504 120.570 -0.049 0.000 2.644 253 I HA 0.181 4.352 4.170 0.000 0.000 0.291 253 I C -1.068 175.030 176.117 -0.031 0.000 1.180 253 I CA -0.015 61.267 61.300 -0.030 0.000 1.040 253 I CB 2.263 40.256 38.000 -0.012 0.000 1.255 253 I HN 0.393 nan 8.210 nan 0.000 0.422 254 S N 7.131 122.822 115.700 -0.014 0.000 2.482 254 S HA 0.799 5.269 4.470 0.000 0.000 0.303 254 S C -1.049 173.599 174.600 0.079 0.000 1.091 254 S CA -0.552 57.653 58.200 0.009 0.000 1.057 254 S CB 1.375 64.565 63.200 -0.016 0.000 1.031 254 S HN 0.462 nan 8.310 nan 0.000 0.485 255 L N 2.614 123.892 121.223 0.092 0.000 2.464 255 L HA 0.567 4.907 4.340 0.000 0.000 0.266 255 L C -0.626 176.309 176.870 0.109 0.000 0.965 255 L CA -0.462 54.469 54.840 0.152 0.000 0.833 255 L CB 2.226 44.382 42.059 0.161 0.000 1.296 255 L HN 0.567 nan 8.230 nan 0.000 0.405 256 E N 3.551 123.800 120.200 0.083 0.000 2.220 256 E HA 0.644 4.994 4.350 0.000 0.000 0.256 256 E C -1.304 175.314 176.600 0.030 0.000 0.881 256 E CA -0.327 56.102 56.400 0.048 0.000 0.766 256 E CB 1.293 31.000 29.700 0.012 0.000 1.187 256 E HN 0.493 nan 8.360 nan 0.000 0.419 257 L N 1.901 123.176 121.223 0.087 0.000 2.777 257 L HA 0.697 5.037 4.340 0.000 0.000 0.241 257 L C 1.125 178.029 176.870 0.056 0.000 1.854 257 L CA -1.186 53.719 54.840 0.108 0.000 2.070 257 L CB 0.023 42.203 42.059 0.202 0.000 2.441 257 L HN 0.563 nan 8.230 nan 0.000 0.587 258 G N -1.076 107.746 108.800 0.037 0.000 2.664 258 G HA2 0.436 4.397 3.960 0.000 0.000 0.242 258 G HA3 0.436 4.397 3.960 0.000 0.000 0.242 258 G C -0.318 174.413 174.900 -0.282 0.000 1.225 258 G CA 0.399 45.356 45.100 -0.239 0.000 0.849 258 G HN 0.721 nan 8.290 nan 0.000 0.581 259 G N -1.060 107.503 108.800 -0.395 0.000 2.818 259 G HA2 0.472 4.432 3.960 0.000 0.000 0.286 259 G HA3 0.472 4.432 3.960 0.000 0.000 0.286 259 G C -0.902 173.866 174.900 -0.219 0.000 1.364 259 G CA -0.611 44.404 45.100 -0.141 0.000 0.938 259 G HN 0.772 nan 8.290 nan 0.000 0.490 260 N N -0.982 117.788 118.700 0.117 0.000 2.805 260 N HA 0.335 5.075 4.740 0.000 0.000 0.216 260 N C -0.281 175.374 175.510 0.242 0.000 1.447 260 N CA -0.131 53.029 53.050 0.182 0.000 0.785 260 N CB 0.614 39.289 38.487 0.313 0.000 1.458 260 N HN 0.746 nan 8.380 nan 0.000 0.547 261 A N 2.528 125.453 122.820 0.176 0.000 2.476 261 A HA 0.392 4.712 4.320 0.000 0.000 0.275 261 A C -2.143 175.516 177.584 0.125 0.000 1.133 261 A CA -0.673 51.441 52.037 0.128 0.000 0.797 261 A CB -0.234 18.891 19.000 0.209 0.000 1.081 261 A HN 0.385 nan 8.150 nan 0.000 0.510 262 P HA 0.273 nan 4.420 nan 0.000 0.279 262 P C -0.987 176.450 177.300 0.229 0.000 1.239 262 P CA 0.009 63.181 63.100 0.120 0.000 0.789 262 P CB 0.692 32.400 31.700 0.014 0.000 0.933 263 F N 4.289 124.325 119.950 0.144 0.000 2.445 263 F HA 0.505 5.032 4.527 0.000 0.000 0.348 263 F C -0.747 175.133 175.800 0.133 0.000 1.125 263 F CA -0.911 57.200 58.000 0.185 0.000 0.983 263 F CB 0.684 39.738 39.000 0.090 0.000 1.198 263 F HN 0.104 nan 8.300 nan 0.000 0.436 264 I N 7.044 127.560 120.570 -0.089 0.000 2.362 264 I HA 0.409 4.579 4.170 0.000 0.000 0.289 264 I C -1.017 175.039 176.117 -0.102 0.000 0.994 264 I CA -1.105 60.131 61.300 -0.105 0.000 1.158 264 I CB 1.752 39.567 38.000 -0.308 0.000 1.315 264 I HN 0.201 nan 8.210 nan 0.000 0.451 265 V N 6.840 126.728 119.914 -0.043 0.000 2.334 265 V HA 0.388 4.508 4.120 0.000 0.000 0.281 265 V C -0.229 175.905 176.094 0.067 0.000 1.016 265 V CA -0.474 61.836 62.300 0.015 0.000 0.832 265 V CB 0.894 32.604 31.823 -0.189 0.000 0.999 265 V HN 0.383 nan 8.190 nan 0.000 0.439 266 F N 1.843 121.986 119.950 0.321 0.000 2.378 266 F HA 0.368 4.895 4.527 0.000 0.000 0.325 266 F C 1.602 177.500 175.800 0.162 0.000 1.097 266 F CA -0.449 57.726 58.000 0.291 0.000 1.079 266 F CB 0.693 39.860 39.000 0.279 0.000 1.240 266 F HN 0.436 nan 8.300 nan 0.000 0.519 267 D N 0.377 120.963 120.400 0.311 0.000 2.158 267 D HA -0.180 4.460 4.640 0.000 0.000 0.197 267 D C 1.289 177.702 176.300 0.188 0.000 0.995 267 D CA 1.637 55.745 54.000 0.180 0.000 0.846 267 D CB -0.300 40.580 40.800 0.134 0.000 0.941 267 D HN 0.559 nan 8.370 nan 0.000 0.456 268 D N -0.212 120.322 120.400 0.223 0.000 2.434 268 D HA 0.171 4.811 4.640 0.000 0.000 0.232 268 D C 0.124 176.555 176.300 0.220 0.000 1.166 268 D CA -0.299 53.810 54.000 0.183 0.000 0.830 268 D CB -0.456 40.430 40.800 0.142 0.000 0.960 268 D HN -0.037 nan 8.370 nan 0.000 0.497 269 A N 0.484 123.464 122.820 0.267 0.000 2.386 269 A HA 0.151 4.471 4.320 0.000 0.000 0.248 269 A C 0.372 178.090 177.584 0.223 0.000 1.082 269 A CA -0.448 51.766 52.037 0.295 0.000 0.789 269 A CB 0.303 19.503 19.000 0.334 0.000 1.025 269 A HN 0.197 nan 8.150 nan 0.000 0.490 270 D N 1.765 122.302 120.400 0.228 0.000 2.359 270 D HA 0.016 4.656 4.640 0.000 0.000 0.273 270 D C 0.813 177.212 176.300 0.164 0.000 1.362 270 D CA -0.089 54.016 54.000 0.176 0.000 1.010 270 D CB 0.268 41.169 40.800 0.168 0.000 1.090 270 D HN 0.383 nan 8.370 nan 0.000 0.521 271 L N 4.256 125.560 121.223 0.135 0.000 2.141 271 L HA -0.096 4.245 4.340 0.000 0.000 0.209 271 L C 1.591 178.502 176.870 0.069 0.000 1.094 271 L CA 1.465 56.387 54.840 0.137 0.000 0.763 271 L CB -0.065 42.080 42.059 0.143 0.000 0.908 271 L HN 0.317 nan 8.230 nan 0.000 0.437 272 D N -0.441 119.981 120.400 0.038 0.000 2.117 272 D HA -0.108 4.532 4.640 0.000 0.000 0.198 272 D C 2.226 178.524 176.300 -0.003 0.000 0.982 272 D CA 1.342 55.339 54.000 -0.006 0.000 0.828 272 D CB -0.101 40.700 40.800 0.002 0.000 0.967 272 D HN 0.416 nan 8.370 nan 0.000 0.464 273 A N 1.331 124.180 122.820 0.048 0.000 1.917 273 A HA -0.181 4.139 4.320 0.000 0.000 0.219 273 A C 2.334 179.875 177.584 -0.071 0.000 1.182 273 A CA 2.605 54.703 52.037 0.100 0.000 0.633 273 A CB -0.764 18.382 19.000 0.243 0.000 0.819 273 A HN 0.257 nan 8.150 nan 0.000 0.448 274 A N -0.807 121.841 122.820 -0.287 0.000 1.898 274 A HA 0.030 4.350 4.320 0.000 0.000 0.216 274 A C 2.228 179.768 177.584 -0.073 0.000 1.181 274 A CA 1.730 53.361 52.037 -0.678 0.000 0.620 274 A CB -0.896 17.962 19.000 -0.238 0.000 0.819 274 A HN 0.424 nan 8.150 nan 0.000 0.442 275 V N 0.695 120.574 119.914 -0.059 0.000 2.343 275 V HA -0.241 3.879 4.120 0.000 0.000 0.247 275 V C 2.146 178.157 176.094 -0.138 0.000 1.051 275 V CA 2.251 64.408 62.300 -0.239 0.000 1.036 275 V CB -0.802 30.783 31.823 -0.397 0.000 0.654 275 V HN 0.494 nan 8.190 nan 0.000 0.451 276 D N 0.771 121.126 120.400 -0.075 0.000 2.117 276 D HA -0.121 4.519 4.640 0.000 0.000 0.197 276 D C 2.217 178.524 176.300 0.012 0.000 0.987 276 D CA 1.742 55.728 54.000 -0.025 0.000 0.829 276 D CB -0.575 40.234 40.800 0.016 0.000 0.961 276 D HN 0.481 nan 8.370 nan 0.000 0.460 277 G N 0.627 109.480 108.800 0.089 0.000 2.422 277 G HA2 -0.115 3.846 3.960 0.000 0.000 0.218 277 G HA3 -0.115 3.846 3.960 0.000 0.000 0.218 277 G C 1.706 176.607 174.900 0.001 0.000 1.140 277 G CA 1.059 46.297 45.100 0.229 0.000 0.775 277 G HN 0.385 nan 8.290 nan 0.000 0.545 278 A N 0.676 123.367 122.820 -0.216 0.000 1.877 278 A HA 0.030 4.350 4.320 0.000 0.000 0.216 278 A C 2.429 179.788 177.584 -0.375 0.000 1.186 278 A CA 1.884 53.466 52.037 -0.758 0.000 0.620 278 A CB -0.341 18.382 19.000 -0.462 0.000 0.822 278 A HN 0.274 nan 8.150 nan 0.000 0.443 279 M N -0.559 118.959 119.600 -0.137 0.000 2.086 279 M HA -0.093 4.387 4.480 0.000 0.000 0.261 279 M C 2.237 178.551 176.300 0.022 0.000 1.067 279 M CA 1.292 56.620 55.300 0.046 0.000 1.116 279 M CB -1.350 31.262 32.600 0.020 0.000 1.348 279 M HN 0.230 nan 8.290 nan 0.000 0.407 280 V N 0.331 120.222 119.914 -0.038 0.000 2.427 280 V HA -0.191 3.929 4.120 0.000 0.000 0.248 280 V C 2.457 178.501 176.094 -0.083 0.000 1.051 280 V CA 2.010 64.294 62.300 -0.026 0.000 1.048 280 V CB -0.596 31.226 31.823 -0.002 0.000 0.666 280 V HN 0.630 nan 8.190 nan 0.000 0.456 281 S N -0.935 114.651 115.700 -0.190 0.000 2.528 281 S HA -0.035 4.435 4.470 0.000 0.000 0.219 281 S C 1.761 176.179 174.600 -0.302 0.000 0.985 281 S CA 0.748 58.789 58.200 -0.265 0.000 0.914 281 S CB 0.079 62.983 63.200 -0.494 0.000 0.776 281 S HN 0.433 nan 8.310 nan 0.000 0.526 282 K N 0.595 120.762 120.400 -0.387 0.000 2.168 282 K HA 0.264 4.584 4.320 0.000 0.000 0.201 282 K C 0.965 177.241 176.600 -0.540 0.000 1.049 282 K CA 1.017 56.971 56.287 -0.555 0.000 0.974 282 K CB -0.400 31.567 32.500 -0.888 0.000 0.792 282 K HN 0.452 nan 8.250 nan 0.000 0.463 283 Y N 0.414 120.652 120.300 -0.103 0.000 2.481 283 Y HA 0.313 4.863 4.550 0.000 0.000 0.258 283 Y C 0.327 176.195 175.900 -0.053 0.000 1.103 283 Y CA -0.271 57.788 58.100 -0.068 0.000 1.287 283 Y CB 0.035 38.459 38.460 -0.059 0.000 1.108 283 Y HN -0.097 nan 8.280 nan 0.000 0.529 284 R N 2.157 122.686 120.500 0.049 0.000 2.537 284 R HA -0.136 4.204 4.340 0.000 0.000 0.281 284 R C 0.320 176.622 176.300 0.003 0.000 0.988 284 R CA 0.745 56.862 56.100 0.030 0.000 1.077 284 R CB -0.174 30.143 30.300 0.029 0.000 0.932 284 R HN 0.335 nan 8.270 nan 0.000 0.409 285 N N 2.534 121.228 118.700 -0.010 0.000 2.741 285 N HA -0.271 4.469 4.740 0.000 0.000 0.250 285 N C -0.267 175.230 175.510 -0.022 0.000 1.115 285 N CA 1.466 54.483 53.050 -0.054 0.000 0.724 285 N CB -1.137 37.271 38.487 -0.132 0.000 1.090 285 N HN 0.984 nan 8.380 nan 0.000 0.558 286 A N -1.922 120.913 122.820 0.025 0.000 2.832 286 A HA 0.090 4.410 4.320 0.000 0.000 0.280 286 A C 2.086 179.667 177.584 -0.004 0.000 1.464 286 A CA 1.810 53.881 52.037 0.056 0.000 0.804 286 A CB -1.933 17.098 19.000 0.052 0.000 1.020 286 A HN 2.151 nan 8.150 nan 0.000 0.563 287 G N -2.314 106.439 108.800 -0.079 0.000 2.148 287 G HA2 -0.295 3.665 3.960 0.000 0.000 0.254 287 G HA3 -0.295 3.665 3.960 0.000 0.000 0.254 287 G C 0.212 174.894 174.900 -0.363 0.000 0.981 287 G CA 0.959 45.938 45.100 -0.202 0.000 0.670 287 G HN 1.398 nan 8.290 nan 0.000 0.528 288 Q N 0.626 120.229 119.800 -0.329 0.000 2.237 288 Q HA 0.292 4.632 4.340 0.000 0.000 0.252 288 Q C 0.900 176.532 176.000 -0.614 0.000 0.877 288 Q CA 0.557 56.008 55.803 -0.586 0.000 1.011 288 Q CB 0.572 29.341 28.738 0.052 0.000 1.118 288 Q HN 0.623 nan 8.270 nan 0.000 0.458 289 T N -3.857 110.427 114.554 -0.450 0.000 2.902 289 T HA 0.186 4.536 4.350 0.000 0.000 0.283 289 T C 0.687 175.240 174.700 -0.245 0.000 1.009 289 T CA -0.752 61.279 62.100 -0.116 0.000 1.051 289 T CB 1.659 70.606 68.868 0.132 0.000 0.999 289 T HN 0.214 nan 8.240 nan 0.000 0.474 290 C N 2.831 122.131 119.300 0.001 0.000 2.576 290 C HA 0.175 4.635 4.460 0.000 0.000 0.267 290 C C 2.219 177.251 174.990 0.070 0.000 1.364 290 C CA 0.324 59.404 59.018 0.104 0.000 1.723 290 C CB -1.919 25.921 27.740 0.167 0.000 1.778 290 C HN 0.826 nan 8.230 nan 0.000 0.572 291 V N -2.758 117.191 119.914 0.058 0.000 3.649 291 V HA 0.234 4.354 4.120 0.000 0.000 0.275 291 V C 0.926 177.123 176.094 0.172 0.000 1.281 291 V CA -0.281 62.099 62.300 0.133 0.000 1.143 291 V CB -1.854 30.067 31.823 0.163 0.000 0.892 291 V HN 0.460 nan 8.190 nan 0.000 0.441 292 C N 2.877 122.194 119.300 0.029 0.000 2.642 292 C HA 0.583 5.043 4.460 0.000 0.000 0.420 292 C C 1.481 176.490 174.990 0.031 0.000 1.349 292 C CA 0.016 59.013 59.018 -0.035 0.000 1.821 292 C CB -0.290 27.339 27.740 -0.185 0.000 2.637 292 C HN 0.779 nan 8.230 nan 0.000 0.605 293 A N 3.629 126.440 122.820 -0.015 0.000 2.545 293 A HA 0.038 4.358 4.320 0.000 0.000 0.253 293 A C 1.012 178.587 177.584 -0.014 0.000 1.074 293 A CA 0.325 52.382 52.037 0.032 0.000 0.760 293 A CB -0.118 18.802 19.000 -0.132 0.000 1.005 293 A HN 0.976 nan 8.150 nan 0.000 0.506 294 N N 1.267 120.004 118.700 0.061 0.000 2.368 294 N HA 0.066 4.807 4.740 0.000 0.000 0.178 294 N C 0.037 175.603 175.510 0.094 0.000 1.076 294 N CA 0.575 53.667 53.050 0.071 0.000 0.889 294 N CB 0.320 38.876 38.487 0.114 0.000 1.040 294 N HN 0.689 nan 8.380 nan 0.000 0.463 295 R N 0.352 120.877 120.500 0.041 0.000 2.500 295 R HA 0.401 4.741 4.340 0.000 0.000 0.299 295 R C -1.218 174.964 176.300 -0.197 0.000 1.038 295 R CA -0.429 55.588 56.100 -0.138 0.000 0.903 295 R CB 1.742 31.752 30.300 -0.484 0.000 1.177 295 R HN 0.066 nan 8.270 nan 0.000 0.455 296 I N 3.870 124.402 120.570 -0.063 0.000 2.330 296 I HA 0.259 4.429 4.170 0.000 0.000 0.286 296 I C -0.738 175.368 176.117 -0.018 0.000 1.025 296 I CA -0.669 60.652 61.300 0.034 0.000 1.197 296 I CB 0.584 38.619 38.000 0.059 0.000 1.358 296 I HN 0.408 nan 8.210 nan 0.000 0.467 297 Y N 5.675 126.051 120.300 0.127 0.000 2.341 297 Y HA 0.497 5.047 4.550 0.000 0.000 0.340 297 Y C 0.060 176.109 175.900 0.248 0.000 0.997 297 Y CA -0.660 57.550 58.100 0.183 0.000 1.149 297 Y CB 1.286 39.686 38.460 -0.099 0.000 1.171 297 Y HN 0.188 nan 8.280 nan 0.000 0.494 298 V N 3.996 124.167 119.914 0.427 0.000 2.540 298 V HA 0.289 4.410 4.120 0.000 0.000 0.302 298 V C -0.254 175.786 176.094 -0.090 0.000 1.035 298 V CA -1.284 61.085 62.300 0.115 0.000 0.873 298 V CB 1.723 33.418 31.823 -0.212 0.000 0.992 298 V HN 0.686 nan 8.190 nan 0.000 0.428 299 Q N 2.796 122.291 119.800 -0.509 0.000 2.373 299 Q HA 0.224 4.564 4.340 0.000 0.000 0.255 299 Q C 1.464 177.255 176.000 -0.348 0.000 0.980 299 Q CA -0.072 55.099 55.803 -1.053 0.000 0.882 299 Q CB 0.904 29.181 28.738 -0.768 0.000 1.249 299 Q HN 0.666 nan 8.270 nan 0.000 0.438 300 R N 2.561 122.872 120.500 -0.315 0.000 2.136 300 R HA -0.247 4.093 4.340 0.000 0.000 0.242 300 R C 1.689 177.984 176.300 -0.009 0.000 1.131 300 R CA 2.316 58.351 56.100 -0.108 0.000 0.937 300 R CB -0.956 29.284 30.300 -0.100 0.000 0.863 300 R HN 0.928 nan 8.270 nan 0.000 0.435 301 G N -0.389 108.400 108.800 -0.018 0.000 2.462 301 G HA2 -0.200 3.760 3.960 0.000 0.000 0.220 301 G HA3 -0.200 3.760 3.960 0.000 0.000 0.220 301 G C 1.151 176.090 174.900 0.064 0.000 1.121 301 G CA 1.085 46.202 45.100 0.028 0.000 0.758 301 G HN 0.436 nan 8.290 nan 0.000 0.559 302 V N -3.307 116.651 119.914 0.073 0.000 3.427 302 V HA 0.389 4.509 4.120 0.000 0.000 0.305 302 V C 1.707 177.896 176.094 0.158 0.000 1.412 302 V CA -0.340 62.028 62.300 0.114 0.000 1.086 302 V CB -0.732 31.164 31.823 0.121 0.000 0.964 302 V HN 0.234 nan 8.190 nan 0.000 0.439 303 Y N 2.177 122.499 120.300 0.036 0.000 2.097 303 Y HA -0.201 4.349 4.550 0.000 0.000 0.282 303 Y C 2.238 178.215 175.900 0.128 0.000 1.152 303 Y CA 2.567 60.706 58.100 0.065 0.000 1.136 303 Y CB 0.057 38.529 38.460 0.020 0.000 0.975 303 Y HN 0.311 nan 8.280 nan 0.000 0.498 304 D N -0.382 120.177 120.400 0.265 0.000 2.123 304 D HA -0.121 4.519 4.640 0.000 0.000 0.200 304 D C 2.024 178.373 176.300 0.082 0.000 0.976 304 D CA 1.105 55.214 54.000 0.181 0.000 0.831 304 D CB -0.192 40.714 40.800 0.176 0.000 0.974 304 D HN 0.193 nan 8.370 nan 0.000 0.469 305 K N 0.293 120.746 120.400 0.089 0.000 2.097 305 K HA -0.114 4.206 4.320 0.000 0.000 0.206 305 K C 1.864 178.483 176.600 0.031 0.000 1.049 305 K CA 0.541 56.860 56.287 0.053 0.000 0.933 305 K CB -0.440 32.099 32.500 0.066 0.000 0.717 305 K HN 0.023 nan 8.250 nan 0.000 0.442 306 F N 0.381 120.291 119.950 -0.067 0.000 2.075 306 F HA -0.126 4.401 4.527 0.000 0.000 0.297 306 F C 1.922 177.640 175.800 -0.136 0.000 1.113 306 F CA 1.631 59.572 58.000 -0.099 0.000 1.218 306 F CB -0.539 38.387 39.000 -0.124 0.000 0.984 306 F HN 0.062 nan 8.300 nan 0.000 0.472 307 A N -0.219 122.592 122.820 -0.014 0.000 1.972 307 A HA -0.189 4.131 4.320 0.000 0.000 0.219 307 A C 2.074 179.588 177.584 -0.117 0.000 1.169 307 A CA 1.852 53.834 52.037 -0.091 0.000 0.635 307 A CB -0.832 18.089 19.000 -0.132 0.000 0.810 307 A HN 0.565 nan 8.150 nan 0.000 0.446 308 E N -0.188 119.958 120.200 -0.091 0.000 2.031 308 E HA -0.183 4.167 4.350 0.000 0.000 0.193 308 E C 2.072 178.590 176.600 -0.136 0.000 0.994 308 E CA 1.487 57.837 56.400 -0.083 0.000 0.800 308 E CB -0.147 29.523 29.700 -0.050 0.000 0.752 308 E HN 0.571 nan 8.360 nan 0.000 0.447 309 K N 0.369 120.656 120.400 -0.189 0.000 2.097 309 K HA -0.167 4.153 4.320 0.000 0.000 0.206 309 K C 2.165 178.592 176.600 -0.288 0.000 1.049 309 K CA 0.714 56.866 56.287 -0.225 0.000 0.933 309 K CB -0.129 32.219 32.500 -0.253 0.000 0.717 309 K HN 0.025 nan 8.250 nan 0.000 0.442 310 L N 1.033 122.015 121.223 -0.403 0.000 2.017 310 L HA -0.126 4.214 4.340 0.000 0.000 0.208 310 L C 2.227 178.984 176.870 -0.188 0.000 1.073 310 L CA 1.797 56.431 54.840 -0.342 0.000 0.745 310 L CB -0.699 41.143 42.059 -0.363 0.000 0.894 310 L HN 0.126 nan 8.230 nan 0.000 0.432 311 A N -0.572 122.160 122.820 -0.146 0.000 1.940 311 A HA -0.175 4.145 4.320 0.000 0.000 0.219 311 A C 2.439 179.958 177.584 -0.108 0.000 1.176 311 A CA 1.887 53.863 52.037 -0.101 0.000 0.631 311 A CB -1.167 17.790 19.000 -0.071 0.000 0.814 311 A HN 0.573 nan 8.150 nan 0.000 0.446 312 A N -0.407 122.345 122.820 -0.114 0.000 1.933 312 A HA -0.150 4.170 4.320 0.000 0.000 0.218 312 A C 2.108 179.624 177.584 -0.114 0.000 1.175 312 A CA 1.780 53.756 52.037 -0.103 0.000 0.628 312 A CB -0.278 18.665 19.000 -0.096 0.000 0.814 312 A HN 0.411 nan 8.150 nan 0.000 0.444 313 K N -0.416 119.902 120.400 -0.137 0.000 2.076 313 K HA 0.037 4.357 4.320 0.000 0.000 0.204 313 K C 1.913 178.407 176.600 -0.177 0.000 1.051 313 K CA 1.168 57.370 56.287 -0.142 0.000 0.949 313 K CB -0.824 31.589 32.500 -0.144 0.000 0.726 313 K HN 0.341 nan 8.250 nan 0.000 0.443 314 V N 2.775 122.564 119.914 -0.207 0.000 2.594 314 V HA -0.179 3.941 4.120 0.000 0.000 0.253 314 V C 2.522 178.488 176.094 -0.214 0.000 1.069 314 V CA 1.412 63.535 62.300 -0.294 0.000 1.082 314 V CB -0.472 31.188 31.823 -0.272 0.000 0.680 314 V HN 0.314 nan 8.190 nan 0.000 0.469 315 K N 0.834 121.145 120.400 -0.148 0.000 2.155 315 K HA -0.162 4.158 4.320 0.000 0.000 0.203 315 K C 1.803 178.337 176.600 -0.109 0.000 1.052 315 K CA 1.491 57.709 56.287 -0.114 0.000 0.948 315 K CB -0.090 32.357 32.500 -0.089 0.000 0.728 315 K HN 0.572 nan 8.250 nan 0.000 0.448 316 E N 0.692 120.825 120.200 -0.111 0.000 2.516 316 E HA -0.018 4.333 4.350 0.000 0.000 0.199 316 E C -0.031 176.509 176.600 -0.099 0.000 1.069 316 E CA -0.064 56.279 56.400 -0.095 0.000 0.876 316 E CB 0.015 29.662 29.700 -0.088 0.000 0.843 316 E HN 0.245 nan 8.360 nan 0.000 0.530 317 L N 2.029 123.175 121.223 -0.129 0.000 2.361 317 L HA 0.123 4.463 4.340 0.000 0.000 0.278 317 L C 0.401 177.222 176.870 -0.083 0.000 1.113 317 L CA -0.105 54.662 54.840 -0.121 0.000 0.849 317 L CB 0.431 42.379 42.059 -0.185 0.000 1.155 317 L HN -0.129 nan 8.230 nan 0.000 0.452 318 K N 3.358 123.724 120.400 -0.057 0.000 2.316 318 K HA 0.341 4.661 4.320 0.000 0.000 0.289 318 K C -0.933 175.657 176.600 -0.018 0.000 1.070 318 K CA -0.483 55.778 56.287 -0.043 0.000 0.928 318 K CB 0.828 33.306 32.500 -0.037 0.000 1.039 318 K HN 0.339 nan 8.250 nan 0.000 0.480 319 V N 3.958 123.861 119.914 -0.017 0.000 2.407 319 V HA 0.676 4.797 4.120 0.000 0.000 0.278 319 V C 0.740 176.821 176.094 -0.021 0.000 1.037 319 V CA -0.034 62.288 62.300 0.038 0.000 0.900 319 V CB 0.876 32.728 31.823 0.049 0.000 0.983 319 V HN 1.081 nan 8.190 nan 0.000 0.459 320 G N 3.908 112.764 108.800 0.093 0.000 2.356 320 G HA2 0.098 4.058 3.960 0.000 0.000 0.281 320 G HA3 0.098 4.058 3.960 0.000 0.000 0.281 320 G C -1.069 173.990 174.900 0.264 0.000 1.246 320 G CA -0.781 44.297 45.100 -0.036 0.000 0.889 320 G HN 0.555 nan 8.290 nan 0.000 0.486 321 N N 0.860 119.650 118.700 0.151 0.000 2.483 321 N HA 0.211 4.951 4.740 0.000 0.000 0.264 321 N C 1.633 177.214 175.510 0.118 0.000 1.197 321 N CA 0.874 54.041 53.050 0.194 0.000 0.927 321 N CB 1.329 39.883 38.487 0.112 0.000 1.065 321 N HN 0.824 nan 8.380 nan 0.000 0.461 322 G N 1.721 110.583 108.800 0.104 0.000 2.498 322 G HA2 -0.237 3.723 3.960 0.000 0.000 0.219 322 G HA3 -0.237 3.723 3.960 0.000 0.000 0.219 322 G C 1.340 176.263 174.900 0.038 0.000 1.119 322 G CA 1.371 46.507 45.100 0.060 0.000 0.766 322 G HN 0.738 nan 8.290 nan 0.000 0.552 323 T N -1.274 113.302 114.554 0.037 0.000 3.088 323 T HA 0.135 4.485 4.350 0.000 0.000 0.259 323 T C 0.742 175.453 174.700 0.017 0.000 1.122 323 T CA 0.086 62.200 62.100 0.023 0.000 1.095 323 T CB 0.121 69.001 68.868 0.020 0.000 0.930 323 T HN 0.228 nan 8.240 nan 0.000 0.508 324 E N 2.975 123.187 120.200 0.019 0.000 2.331 324 E HA 0.290 4.640 4.350 0.000 0.000 0.272 324 E C -2.538 174.065 176.600 0.003 0.000 1.036 324 E CA -2.326 54.078 56.400 0.007 0.000 0.864 324 E CB 0.504 30.205 29.700 0.001 0.000 1.035 324 E HN 0.275 nan 8.360 nan 0.000 0.408 325 P HA 0.022 nan 4.420 nan 0.000 0.269 325 P C 0.858 178.154 177.300 -0.008 0.000 1.209 325 P CA 0.568 63.665 63.100 -0.004 0.000 0.776 325 P CB 0.467 32.163 31.700 -0.007 0.000 0.876 326 G N 0.571 109.367 108.800 -0.007 0.000 2.328 326 G HA2 -0.271 3.689 3.960 0.000 0.000 0.256 326 G HA3 -0.271 3.689 3.960 0.000 0.000 0.256 326 G C 0.194 175.089 174.900 -0.009 0.000 1.014 326 G CA 0.162 45.255 45.100 -0.012 0.000 0.620 326 G HN 0.575 nan 8.290 nan 0.000 0.530 327 V N 2.010 121.923 119.914 -0.001 0.000 2.493 327 V HA 0.284 4.404 4.120 0.000 0.000 0.292 327 V C 1.805 177.908 176.094 0.015 0.000 1.016 327 V CA 0.860 63.167 62.300 0.011 0.000 1.097 327 V CB 1.326 33.167 31.823 0.031 0.000 0.947 327 V HN 1.054 nan 8.190 nan 0.000 0.479 328 V N 3.778 123.700 119.914 0.012 0.000 3.635 328 V HA 0.435 4.555 4.120 0.000 0.000 0.266 328 V C 0.520 176.631 176.094 0.029 0.000 1.316 328 V CA 0.309 62.617 62.300 0.012 0.000 1.060 328 V CB 0.527 32.346 31.823 -0.007 0.000 0.820 328 V HN 0.525 nan 8.190 nan 0.000 0.447 329 I N 2.028 122.626 120.570 0.046 0.000 2.406 329 I HA 0.764 4.934 4.170 0.000 0.000 0.290 329 I C 0.669 176.866 176.117 0.133 0.000 0.999 329 I CA 0.118 61.465 61.300 0.079 0.000 1.124 329 I CB 1.058 39.106 38.000 0.080 0.000 1.289 329 I HN 0.242 nan 8.210 nan 0.000 0.441 330 G N 7.298 116.162 108.800 0.107 0.000 2.642 330 G HA2 0.702 4.663 3.960 0.000 0.000 0.291 330 G HA3 0.702 4.663 3.960 0.000 0.000 0.291 330 G C -2.759 172.131 174.900 -0.016 0.000 1.345 330 G CA -1.062 44.099 45.100 0.102 0.000 1.043 330 G HN 0.357 nan 8.290 nan 0.000 0.528 331 P HA 0.185 nan 4.420 nan 0.000 0.276 331 P C 0.001 177.112 177.300 -0.316 0.000 1.261 331 P CA -0.213 62.426 63.100 -0.769 0.000 0.800 331 P CB 0.958 31.912 31.700 -1.244 0.000 1.066 332 M N 0.748 120.200 119.600 -0.245 0.000 2.163 332 M HA 0.086 4.566 4.480 0.000 0.000 0.305 332 M C 1.570 177.735 176.300 -0.224 0.000 1.166 332 M CA -0.333 54.876 55.300 -0.153 0.000 1.132 332 M CB 0.259 32.796 32.600 -0.105 0.000 1.413 332 M HN 0.242 nan 8.290 nan 0.000 0.478 333 I N 0.230 120.639 120.570 -0.268 0.000 2.584 333 I HA -0.066 4.104 4.170 0.000 0.000 0.255 333 I C 0.607 176.496 176.117 -0.379 0.000 1.145 333 I CA 1.340 62.380 61.300 -0.432 0.000 1.462 333 I CB 0.180 37.597 38.000 -0.971 0.000 1.102 333 I HN 0.739 nan 8.210 nan 0.000 0.433 334 E N -2.422 117.597 120.200 -0.302 0.000 2.401 334 E HA 0.411 4.761 4.350 0.000 0.000 0.280 334 E C 0.521 177.034 176.600 -0.145 0.000 1.039 334 E CA 0.120 56.386 56.400 -0.223 0.000 0.814 334 E CB 0.481 30.027 29.700 -0.256 0.000 1.275 334 E HN -0.162 nan 8.360 nan 0.000 0.448 335 E N 1.031 121.171 120.200 -0.101 0.000 2.085 335 E HA -0.253 4.097 4.350 0.000 0.000 0.194 335 E C 2.147 178.713 176.600 -0.056 0.000 0.994 335 E CA 2.970 59.335 56.400 -0.059 0.000 0.801 335 E CB -1.216 28.462 29.700 -0.036 0.000 0.743 335 E HN 0.680 nan 8.360 nan 0.000 0.453 336 K N 0.322 120.685 120.400 -0.061 0.000 2.113 336 K HA 0.210 4.530 4.320 0.000 0.000 0.208 336 K C 2.693 179.259 176.600 -0.058 0.000 1.047 336 K CA 2.033 58.291 56.287 -0.047 0.000 0.928 336 K CB -1.191 31.284 32.500 -0.041 0.000 0.716 336 K HN 0.899 nan 8.250 nan 0.000 0.446 337 A N 0.976 123.751 122.820 -0.076 0.000 1.877 337 A HA -0.004 4.316 4.320 0.000 0.000 0.216 337 A C 2.423 179.924 177.584 -0.138 0.000 1.186 337 A CA 1.564 53.557 52.037 -0.073 0.000 0.620 337 A CB -0.290 18.677 19.000 -0.054 0.000 0.822 337 A HN 0.515 nan 8.150 nan 0.000 0.443 338 I N -0.212 120.269 120.570 -0.148 0.000 2.286 338 I HA -0.223 3.947 4.170 0.000 0.000 0.248 338 I C 2.459 178.485 176.117 -0.151 0.000 1.115 338 I CA 1.761 62.932 61.300 -0.215 0.000 1.392 338 I CB -0.835 37.132 38.000 -0.056 0.000 1.065 338 I HN 0.278 nan 8.210 nan 0.000 0.418 339 T N 0.465 114.979 114.554 -0.068 0.000 2.759 339 T HA -0.234 4.116 4.350 0.000 0.000 0.269 339 T C 1.959 176.636 174.700 -0.039 0.000 1.042 339 T CA 1.373 63.458 62.100 -0.025 0.000 1.140 339 T CB -0.171 68.694 68.868 -0.006 0.000 0.864 339 T HN 0.325 nan 8.240 nan 0.000 0.455 340 K N 0.747 121.099 120.400 -0.080 0.000 2.103 340 K HA -0.042 4.278 4.320 0.000 0.000 0.204 340 K C 2.206 178.697 176.600 -0.182 0.000 1.052 340 K CA 0.831 57.060 56.287 -0.096 0.000 0.945 340 K CB -0.139 32.285 32.500 -0.128 0.000 0.722 340 K HN 0.179 nan 8.250 nan 0.000 0.443 341 V N 1.825 121.584 119.914 -0.259 0.000 2.358 341 V HA -0.223 3.897 4.120 0.000 0.000 0.246 341 V C 2.177 178.211 176.094 -0.100 0.000 1.047 341 V CA 1.673 63.797 62.300 -0.294 0.000 1.035 341 V CB -0.428 31.064 31.823 -0.552 0.000 0.658 341 V HN 0.315 nan 8.190 nan 0.000 0.452 342 K N 0.519 120.878 120.400 -0.068 0.000 2.020 342 K HA -0.208 4.112 4.320 0.000 0.000 0.212 342 K C 2.366 179.036 176.600 0.116 0.000 1.050 342 K CA 1.720 58.071 56.287 0.106 0.000 0.929 342 K CB -0.538 32.035 32.500 0.122 0.000 0.714 342 K HN 0.468 nan 8.250 nan 0.000 0.443 343 A N 1.134 124.016 122.820 0.102 0.000 1.940 343 A HA -0.218 4.102 4.320 0.000 0.000 0.219 343 A C 1.837 179.541 177.584 0.201 0.000 1.176 343 A CA 1.473 53.593 52.037 0.138 0.000 0.631 343 A CB -0.861 18.224 19.000 0.141 0.000 0.814 343 A HN 0.388 nan 8.150 nan 0.000 0.446 344 H N -0.932 118.160 119.070 0.037 0.000 2.353 344 H HA -0.069 4.487 4.556 0.000 0.000 0.300 344 H C 2.078 177.434 175.328 0.045 0.000 1.090 344 H CA 1.432 57.506 56.048 0.043 0.000 1.327 344 H CB -0.062 29.726 29.762 0.043 0.000 1.383 344 H HN 0.478 nan 8.280 nan 0.000 0.508 345 I N 0.976 121.658 120.570 0.187 0.000 2.163 345 I HA -0.238 3.932 4.170 0.000 0.000 0.240 345 I C 2.420 178.593 176.117 0.093 0.000 1.081 345 I CA 0.901 62.282 61.300 0.134 0.000 1.353 345 I CB -0.143 37.953 38.000 0.161 0.000 1.054 345 I HN 0.182 nan 8.210 nan 0.000 0.407 346 E N 0.877 121.133 120.200 0.095 0.000 2.048 346 E HA -0.332 4.018 4.350 0.000 0.000 0.202 346 E C 1.753 178.381 176.600 0.046 0.000 1.021 346 E CA 1.898 58.338 56.400 0.067 0.000 0.825 346 E CB -0.979 28.761 29.700 0.067 0.000 0.756 346 E HN 0.565 nan 8.360 nan 0.000 0.454 347 D N 0.507 120.933 120.400 0.043 0.000 2.123 347 D HA -0.136 4.504 4.640 0.000 0.000 0.196 347 D C 1.818 178.117 176.300 -0.002 0.000 0.992 347 D CA 1.627 55.636 54.000 0.015 0.000 0.833 347 D CB 0.085 40.883 40.800 -0.003 0.000 0.954 347 D HN 0.105 nan 8.370 nan 0.000 0.455 348 A N 0.553 123.371 122.820 -0.003 0.000 1.873 348 A HA -0.084 4.236 4.320 0.000 0.000 0.215 348 A C 2.679 180.255 177.584 -0.013 0.000 1.186 348 A CA 1.484 53.506 52.037 -0.025 0.000 0.616 348 A CB -0.779 18.205 19.000 -0.027 0.000 0.823 348 A HN 0.227 nan 8.150 nan 0.000 0.442 349 V N 0.861 120.780 119.914 0.009 0.000 2.358 349 V HA -0.220 3.901 4.120 0.000 0.000 0.246 349 V C 2.944 179.043 176.094 0.008 0.000 1.047 349 V CA 2.276 64.583 62.300 0.012 0.000 1.035 349 V CB -0.899 30.939 31.823 0.025 0.000 0.658 349 V HN 0.815 nan 8.190 nan 0.000 0.452 350 S N 0.088 115.795 115.700 0.011 0.000 2.465 350 S HA -0.197 4.273 4.470 0.000 0.000 0.241 350 S C 1.550 176.152 174.600 0.003 0.000 1.000 350 S CA 1.380 59.586 58.200 0.010 0.000 0.964 350 S CB -0.373 62.835 63.200 0.014 0.000 0.763 350 S HN 0.695 nan 8.310 nan 0.000 0.512 351 K N 0.168 120.566 120.400 -0.004 0.000 2.440 351 K HA 0.381 4.701 4.320 0.000 0.000 0.206 351 K C 0.905 177.496 176.600 -0.014 0.000 1.025 351 K CA 0.290 56.572 56.287 -0.009 0.000 1.135 351 K CB 0.554 33.046 32.500 -0.013 0.000 0.856 351 K HN 0.466 nan 8.250 nan 0.000 0.502 352 G N 0.853 109.646 108.800 -0.012 0.000 2.184 352 G HA2 -0.231 3.729 3.960 0.000 0.000 0.206 352 G HA3 -0.231 3.729 3.960 0.000 0.000 0.206 352 G C 0.176 175.066 174.900 -0.017 0.000 0.995 352 G CA -0.147 44.946 45.100 -0.012 0.000 0.651 352 G HN 0.407 nan 8.290 nan 0.000 0.511 353 A N 0.198 123.005 122.820 -0.023 0.000 2.351 353 A HA 0.658 4.978 4.320 0.000 0.000 0.257 353 A C 0.323 177.907 177.584 0.001 0.000 1.087 353 A CA 0.088 52.111 52.037 -0.024 0.000 0.798 353 A CB 0.509 19.481 19.000 -0.046 0.000 1.033 353 A HN 0.183 nan 8.150 nan 0.000 0.488 354 K N 1.817 122.226 120.400 0.014 0.000 2.293 354 K HA 0.312 4.632 4.320 0.000 0.000 0.267 354 K C -1.080 175.540 176.600 0.032 0.000 1.010 354 K CA -0.569 55.733 56.287 0.024 0.000 0.875 354 K CB 1.383 33.902 32.500 0.032 0.000 1.106 354 K HN 0.534 nan 8.250 nan 0.000 0.450 355 L N 5.756 126.998 121.223 0.032 0.000 2.385 355 L HA 0.157 4.498 4.340 0.000 0.000 0.285 355 L C 1.126 178.014 176.870 0.030 0.000 1.125 355 L CA 0.185 55.048 54.840 0.039 0.000 0.890 355 L CB -0.368 41.718 42.059 0.044 0.000 1.251 355 L HN 0.693 nan 8.230 nan 0.000 0.445 356 I N 0.349 120.938 120.570 0.032 0.000 2.928 356 I HA 0.120 4.290 4.170 0.000 0.000 0.266 356 I C 0.649 176.772 176.117 0.009 0.000 1.234 356 I CA 0.376 61.689 61.300 0.021 0.000 1.483 356 I CB -0.216 37.800 38.000 0.025 0.000 1.097 356 I HN 0.598 nan 8.210 nan 0.000 0.455 357 T N -0.186 114.375 114.554 0.012 0.000 2.821 357 T HA 0.523 4.873 4.350 0.000 0.000 0.306 357 T C 0.465 175.165 174.700 -0.000 0.000 1.313 357 T CA 0.170 62.267 62.100 -0.004 0.000 1.012 357 T CB 1.315 70.176 68.868 -0.012 0.000 1.298 357 T HN 0.475 nan 8.240 nan 0.000 0.502 358 G N 1.738 110.521 108.800 -0.028 0.000 2.774 358 G HA2 0.000 3.960 3.960 0.000 0.000 0.760 358 G HA3 0.000 3.960 3.960 0.000 0.000 0.760 358 G C 1.081 175.954 174.900 -0.046 0.000 1.114 358 G CA 1.259 46.328 45.100 -0.052 0.000 0.849 358 G HN 2.324 nan 8.290 nan 0.000 0.796 359 G N -1.268 107.509 108.800 -0.038 0.000 2.272 359 G HA2 0.017 3.977 3.960 0.000 0.000 0.280 359 G HA3 0.017 3.977 3.960 0.000 0.000 0.280 359 G C 0.114 174.840 174.900 -0.290 0.000 1.067 359 G CA 1.756 46.878 45.100 0.037 0.000 0.902 359 G HN 1.663 nan 8.290 nan 0.000 0.500 360 K N -0.841 119.125 120.400 -0.724 0.000 2.477 360 K HA 0.648 4.968 4.320 0.000 0.000 0.255 360 K C -0.240 175.776 176.600 -0.973 0.000 0.952 360 K CA -1.184 54.697 56.287 -0.676 0.000 0.826 360 K CB 2.044 34.370 32.500 -0.290 0.000 1.331 360 K HN 0.138 nan 8.250 nan 0.000 0.437 361 E N 1.918 121.804 120.200 -0.522 0.000 2.415 361 E HA 0.007 4.357 4.350 0.000 0.000 0.263 361 E C 0.043 176.560 176.600 -0.139 0.000 0.995 361 E CA -0.017 56.259 56.400 -0.207 0.000 0.915 361 E CB 0.704 30.423 29.700 0.032 0.000 0.951 361 E HN 0.438 nan 8.360 nan 0.000 0.449 362 L N 2.121 123.316 121.223 -0.048 0.000 2.728 362 L HA 0.237 4.577 4.340 0.000 0.000 0.238 362 L C 0.538 177.422 176.870 0.023 0.000 1.143 362 L CA 0.052 54.875 54.840 -0.028 0.000 0.937 362 L CB 0.178 42.227 42.059 -0.016 0.000 1.225 362 L HN 0.834 nan 8.230 nan 0.000 0.507 363 G N -0.779 108.067 108.800 0.076 0.000 3.067 363 G HA2 0.226 4.186 3.960 0.000 0.000 0.686 363 G HA3 0.226 4.186 3.960 0.000 0.000 0.686 363 G C 0.254 175.273 174.900 0.198 0.000 1.119 363 G CA -0.509 44.647 45.100 0.094 0.000 0.790 363 G HN 0.560 nan 8.290 nan 0.000 0.605 364 G N 0.237 109.126 108.800 0.148 0.000 2.543 364 G HA2 -0.169 3.791 3.960 0.000 0.000 0.286 364 G HA3 -0.169 3.791 3.960 0.000 0.000 0.286 364 G C 1.062 176.026 174.900 0.106 0.000 1.153 364 G CA 0.738 45.926 45.100 0.146 0.000 0.968 364 G HN 1.684 nan 8.290 nan 0.000 0.544 365 L N 0.549 121.798 121.223 0.044 0.000 2.728 365 L HA 0.436 4.776 4.340 0.000 0.000 0.238 365 L C 0.325 177.121 176.870 -0.123 0.000 1.143 365 L CA -0.319 54.471 54.840 -0.084 0.000 0.937 365 L CB 0.044 41.978 42.059 -0.208 0.000 1.225 365 L HN 0.230 nan 8.230 nan 0.000 0.507 366 F N -0.324 119.667 119.950 0.068 0.000 2.389 366 F HA 0.315 4.843 4.527 0.000 0.000 0.337 366 F C -0.026 175.876 175.800 0.170 0.000 1.112 366 F CA 0.021 58.074 58.000 0.089 0.000 1.192 366 F CB 0.822 39.845 39.000 0.037 0.000 1.185 366 F HN -0.241 nan 8.300 nan 0.000 0.552 367 F N 1.456 121.516 119.950 0.184 0.000 2.608 367 F HA 0.280 4.807 4.527 0.000 0.000 0.309 367 F C -0.569 175.290 175.800 0.098 0.000 1.103 367 F CA -0.894 57.170 58.000 0.106 0.000 0.954 367 F CB 1.527 40.566 39.000 0.065 0.000 1.267 367 F HN 0.438 nan 8.300 nan 0.000 0.444 368 E N 5.906 125.970 120.200 -0.226 0.000 2.229 368 E HA 0.336 4.686 4.350 0.000 0.000 0.283 368 E C -2.478 174.159 176.600 0.062 0.000 1.030 368 E CA -2.176 54.172 56.400 -0.087 0.000 0.836 368 E CB 1.147 30.732 29.700 -0.192 0.000 1.068 368 E HN 0.185 nan 8.360 nan 0.000 0.401 369 P HA 0.049 nan 4.420 nan 0.000 0.265 369 P C -0.618 176.737 177.300 0.091 0.000 1.193 369 P CA 0.140 63.314 63.100 0.123 0.000 0.765 369 P CB 0.901 32.514 31.700 -0.145 0.000 0.823 370 G N 2.049 110.977 108.800 0.213 0.000 2.658 370 G HA2 0.803 4.763 3.960 0.000 0.000 0.292 370 G HA3 0.803 4.763 3.960 0.000 0.000 0.292 370 G C -1.506 173.507 174.900 0.189 0.000 1.320 370 G CA -0.703 44.492 45.100 0.158 0.000 0.933 370 G HN 0.389 nan 8.290 nan 0.000 0.476 371 I N -0.112 120.531 120.570 0.120 0.000 2.686 371 I HA 0.399 4.569 4.170 0.000 0.000 0.295 371 I C -0.951 175.213 176.117 0.079 0.000 1.114 371 I CA -0.664 60.700 61.300 0.107 0.000 1.038 371 I CB 2.469 40.514 38.000 0.076 0.000 1.238 371 I HN 0.126 nan 8.210 nan 0.000 0.420 372 L N 4.355 125.620 121.223 0.069 0.000 2.334 372 L HA 0.658 4.998 4.340 0.000 0.000 0.276 372 L C 0.105 177.007 176.870 0.053 0.000 1.014 372 L CA -0.457 54.410 54.840 0.046 0.000 0.815 372 L CB 2.178 44.249 42.059 0.020 0.000 1.268 372 L HN 0.653 nan 8.230 nan 0.000 0.428 373 T N -2.206 112.391 114.554 0.072 0.000 2.932 373 T HA 0.637 4.987 4.350 0.000 0.000 0.289 373 T C 0.651 175.410 174.700 0.098 0.000 1.039 373 T CA -0.187 62.007 62.100 0.156 0.000 1.024 373 T CB 1.750 70.749 68.868 0.219 0.000 1.090 373 T HN 0.991 nan 8.240 nan 0.000 0.496 374 G N 0.455 109.332 108.800 0.129 0.000 2.246 374 G HA2 -0.166 3.794 3.960 0.000 0.000 0.273 374 G HA3 -0.166 3.794 3.960 0.000 0.000 0.273 374 G C -0.031 174.811 174.900 -0.098 0.000 1.055 374 G CA -0.010 45.079 45.100 -0.019 0.000 0.851 374 G HN 1.080 nan 8.290 nan 0.000 0.500 375 V N 0.818 120.612 119.914 -0.199 0.000 2.732 375 V HA 0.748 4.868 4.120 0.000 0.000 0.297 375 V C 0.968 176.751 176.094 -0.518 0.000 1.060 375 V CA 0.560 62.570 62.300 -0.482 0.000 1.038 375 V CB 1.426 32.724 31.823 -0.876 0.000 1.003 375 V HN 0.857 nan 8.190 nan 0.000 0.481 376 T N -0.558 113.772 114.554 -0.373 0.000 2.883 376 T HA 0.322 4.673 4.350 0.000 0.000 0.296 376 T C 0.934 175.719 174.700 0.141 0.000 1.117 376 T CA 0.008 62.087 62.100 -0.035 0.000 1.006 376 T CB 1.577 70.452 68.868 0.011 0.000 1.191 376 T HN 0.653 nan 8.240 nan 0.000 0.508 377 S N -0.096 115.782 115.700 0.296 0.000 2.469 377 S HA -0.149 4.321 4.470 0.000 0.000 0.238 377 S C 1.069 175.783 174.600 0.189 0.000 0.998 377 S CA 1.355 59.748 58.200 0.321 0.000 0.957 377 S CB -0.960 62.389 63.200 0.247 0.000 0.764 377 S HN 0.934 nan 8.310 nan 0.000 0.514 378 D N -0.121 120.348 120.400 0.114 0.000 2.328 378 D HA 0.210 4.850 4.640 0.000 0.000 0.221 378 D C 0.418 176.744 176.300 0.044 0.000 1.072 378 D CA -0.153 53.889 54.000 0.070 0.000 0.850 378 D CB -0.303 40.526 40.800 0.048 0.000 0.922 378 D HN 0.354 nan 8.370 nan 0.000 0.516 379 M N 0.186 119.809 119.600 0.038 0.000 2.291 379 M HA 0.166 4.646 4.480 0.000 0.000 0.324 379 M C 0.833 177.133 176.300 -0.000 0.000 1.148 379 M CA -0.903 54.392 55.300 -0.009 0.000 1.104 379 M CB 1.737 34.295 32.600 -0.070 0.000 1.483 379 M HN -0.036 nan 8.290 nan 0.000 0.467 380 L N 2.699 123.876 121.223 -0.076 0.000 2.046 380 L HA -0.078 4.262 4.340 0.000 0.000 0.208 380 L C 1.944 178.698 176.870 -0.195 0.000 1.077 380 L CA 1.811 56.567 54.840 -0.139 0.000 0.747 380 L CB -0.509 41.412 42.059 -0.229 0.000 0.896 380 L HN 0.660 nan 8.230 nan 0.000 0.432 381 V N 0.063 119.809 119.914 -0.280 0.000 2.982 381 V HA -0.218 3.903 4.120 0.000 0.000 0.265 381 V C 2.464 178.676 176.094 0.197 0.000 1.122 381 V CA 1.459 63.709 62.300 -0.082 0.000 1.143 381 V CB -0.711 31.154 31.823 0.070 0.000 0.726 381 V HN 0.610 nan 8.190 nan 0.000 0.507 382 A N -0.930 122.036 122.820 0.243 0.000 2.066 382 A HA -0.028 4.293 4.320 0.000 0.000 0.218 382 A C 2.156 179.871 177.584 0.218 0.000 1.157 382 A CA 1.217 53.450 52.037 0.327 0.000 0.670 382 A CB -0.160 19.068 19.000 0.379 0.000 0.804 382 A HN 0.481 nan 8.150 nan 0.000 0.453 383 K N -0.884 119.623 120.400 0.177 0.000 2.412 383 K HA 0.203 4.523 4.320 0.000 0.000 0.202 383 K C 0.002 176.750 176.600 0.248 0.000 1.102 383 K CA 0.157 56.560 56.287 0.193 0.000 1.027 383 K CB 0.900 33.483 32.500 0.139 0.000 0.931 383 K HN 0.643 nan 8.250 nan 0.000 0.557 384 E N 1.434 121.765 120.200 0.219 0.000 2.248 384 E HA 0.163 4.513 4.350 0.000 0.000 0.267 384 E C -1.207 175.596 176.600 0.339 0.000 0.877 384 E CA -0.290 56.270 56.400 0.267 0.000 0.759 384 E CB 1.635 31.488 29.700 0.256 0.000 1.182 384 E HN -0.030 nan 8.360 nan 0.000 0.418 385 E N 2.067 122.403 120.200 0.227 0.000 2.376 385 E HA 0.018 4.368 4.350 0.000 0.000 0.266 385 E C 0.347 177.075 176.600 0.213 0.000 1.009 385 E CA 0.247 56.775 56.400 0.213 0.000 0.902 385 E CB 1.089 30.891 29.700 0.170 0.000 0.972 385 E HN 0.545 nan 8.360 nan 0.000 0.439 386 T N 3.109 117.753 114.554 0.150 0.000 2.812 386 T HA -0.131 4.219 4.350 0.000 0.000 0.264 386 T C 0.577 175.278 174.700 0.002 0.000 1.042 386 T CA 0.380 62.390 62.100 -0.151 0.000 1.140 386 T CB -0.213 68.630 68.868 -0.042 0.000 0.870 386 T HN 0.647 nan 8.240 nan 0.000 0.445 387 F N 0.947 120.842 119.950 -0.092 0.000 3.074 387 F HA -0.134 4.393 4.527 0.000 0.000 0.287 387 F C 0.663 176.434 175.800 -0.048 0.000 0.932 387 F CA 0.287 58.261 58.000 -0.044 0.000 0.995 387 F CB -1.131 37.870 39.000 0.001 0.000 0.966 387 F HN 0.392 nan 8.300 nan 0.000 0.721 388 G N -0.511 108.250 108.800 -0.066 0.000 2.608 388 G HA2 0.579 4.539 3.960 0.000 0.000 0.291 388 G HA3 0.579 4.539 3.960 0.000 0.000 0.291 388 G C -3.162 171.703 174.900 -0.058 0.000 1.425 388 G CA -0.854 44.200 45.100 -0.077 0.000 0.787 388 G HN -0.213 nan 8.290 nan 0.000 0.484 389 P HA 0.292 nan 4.420 nan 0.000 0.226 389 P C -0.867 176.583 177.300 0.251 0.000 1.783 389 P CA -0.106 63.106 63.100 0.186 0.000 0.980 389 P CB 0.252 32.158 31.700 0.344 0.000 1.967 390 L N 1.372 122.628 121.223 0.054 0.000 2.404 390 L HA 0.676 5.017 4.340 0.000 0.000 0.272 390 L C -0.700 176.168 176.870 -0.004 0.000 0.980 390 L CA -1.031 53.867 54.840 0.098 0.000 0.836 390 L CB 1.863 43.981 42.059 0.097 0.000 1.238 390 L HN 0.080 nan 8.230 nan 0.000 0.408 391 A N 6.859 129.706 122.820 0.046 0.000 2.478 391 A HA 0.765 5.085 4.320 0.000 0.000 0.327 391 A C -2.534 175.087 177.584 0.062 0.000 1.431 391 A CA -1.241 50.800 52.037 0.007 0.000 1.014 391 A CB -0.412 18.629 19.000 0.068 0.000 1.143 391 A HN 0.524 nan 8.150 nan 0.000 0.532 392 P HA 0.365 nan 4.420 nan 0.000 0.295 392 P C -0.764 176.603 177.300 0.111 0.000 1.354 392 P CA -0.103 63.033 63.100 0.060 0.000 0.814 392 P CB 0.897 32.647 31.700 0.084 0.000 0.935 393 L N 4.729 125.996 121.223 0.073 0.000 2.261 393 L HA 0.423 4.764 4.340 0.000 0.000 0.289 393 L C -0.006 177.007 176.870 0.237 0.000 1.059 393 L CA -0.426 54.511 54.840 0.162 0.000 0.816 393 L CB -0.167 41.928 42.059 0.060 0.000 1.191 393 L HN 0.257 nan 8.230 nan 0.000 0.431 394 F N 1.940 121.930 119.950 0.066 0.000 2.408 394 F HA 0.567 5.094 4.527 0.000 0.000 0.344 394 F C 0.824 176.835 175.800 0.352 0.000 1.112 394 F CA -0.708 57.361 58.000 0.115 0.000 1.096 394 F CB 1.457 40.370 39.000 -0.145 0.000 1.129 394 F HN 0.498 nan 8.300 nan 0.000 0.486 395 A N 4.297 127.368 122.820 0.419 0.000 2.316 395 A HA 0.746 5.066 4.320 0.000 0.000 0.284 395 A C -0.956 176.853 177.584 0.375 0.000 1.115 395 A CA -0.324 51.863 52.037 0.250 0.000 0.812 395 A CB 0.288 19.144 19.000 -0.241 0.000 1.064 395 A HN 0.745 nan 8.150 nan 0.000 0.489 396 F N -0.801 119.247 119.950 0.164 0.000 2.626 396 F HA 0.653 5.180 4.527 0.000 0.000 0.311 396 F C -0.255 175.587 175.800 0.070 0.000 1.088 396 F CA -1.029 57.037 58.000 0.109 0.000 0.949 396 F CB 1.291 40.336 39.000 0.076 0.000 1.322 396 F HN 0.406 nan 8.300 nan 0.000 0.461 397 D N 0.075 120.571 120.400 0.160 0.000 2.490 397 D HA 0.066 4.706 4.640 0.000 0.000 0.244 397 D C 0.591 176.992 176.300 0.168 0.000 0.979 397 D CA 1.693 55.725 54.000 0.054 0.000 0.924 397 D CB 0.560 41.399 40.800 0.065 0.000 1.075 397 D HN 0.688 nan 8.370 nan 0.000 0.488 398 T N -1.924 112.820 114.554 0.317 0.000 2.908 398 T HA 0.331 4.681 4.350 0.000 0.000 0.290 398 T C 0.898 175.819 174.700 0.368 0.000 1.034 398 T CA -0.721 61.552 62.100 0.289 0.000 1.010 398 T CB 3.059 72.017 68.868 0.149 0.000 1.068 398 T HN -0.110 nan 8.240 nan 0.000 0.481 399 E N 0.758 121.156 120.200 0.329 0.000 2.049 399 E HA -0.259 4.091 4.350 0.000 0.000 0.198 399 E C 1.527 178.162 176.600 0.059 0.000 1.007 399 E CA 1.958 58.515 56.400 0.262 0.000 0.809 399 E CB -0.048 29.718 29.700 0.110 0.000 0.749 399 E HN 0.805 nan 8.360 nan 0.000 0.450 400 E N 0.428 120.648 120.200 0.033 0.000 2.110 400 E HA -0.203 4.147 4.350 0.000 0.000 0.193 400 E C 1.856 178.432 176.600 -0.040 0.000 0.988 400 E CA 1.344 57.732 56.400 -0.020 0.000 0.804 400 E CB -0.146 29.548 29.700 -0.011 0.000 0.745 400 E HN 0.411 nan 8.360 nan 0.000 0.458 401 E N 0.359 120.557 120.200 -0.003 0.000 2.110 401 E HA -0.166 4.185 4.350 0.000 0.000 0.193 401 E C 2.002 178.509 176.600 -0.155 0.000 0.988 401 E CA 1.090 57.474 56.400 -0.026 0.000 0.804 401 E CB 0.006 29.743 29.700 0.060 0.000 0.745 401 E HN 0.181 nan 8.360 nan 0.000 0.458 402 V N 0.664 120.417 119.914 -0.268 0.000 2.548 402 V HA -0.145 3.976 4.120 0.000 0.000 0.249 402 V C 2.164 177.943 176.094 -0.525 0.000 1.055 402 V CA 1.075 62.987 62.300 -0.647 0.000 1.065 402 V CB -0.213 30.804 31.823 -1.343 0.000 0.681 402 V HN 0.319 nan 8.190 nan 0.000 0.462 403 I N 0.306 120.686 120.570 -0.315 0.000 2.179 403 I HA -0.208 3.962 4.170 0.000 0.000 0.242 403 I C 2.709 178.712 176.117 -0.190 0.000 1.088 403 I CA 1.557 62.718 61.300 -0.232 0.000 1.357 403 I CB -0.616 37.288 38.000 -0.160 0.000 1.051 403 I HN 0.363 nan 8.210 nan 0.000 0.409 404 A N 0.106 122.831 122.820 -0.158 0.000 1.892 404 A HA -0.303 4.018 4.320 0.000 0.000 0.218 404 A C 2.236 179.742 177.584 -0.129 0.000 1.188 404 A CA 1.916 53.884 52.037 -0.115 0.000 0.631 404 A CB -0.703 18.249 19.000 -0.080 0.000 0.822 404 A HN 0.506 nan 8.150 nan 0.000 0.447 405 Q N -0.981 118.694 119.800 -0.208 0.000 2.083 405 Q HA 0.003 4.343 4.340 0.000 0.000 0.198 405 Q C 2.488 178.357 176.000 -0.219 0.000 0.969 405 Q CA 1.072 56.749 55.803 -0.209 0.000 0.838 405 Q CB -0.385 28.171 28.738 -0.305 0.000 0.900 405 Q HN 0.678 nan 8.270 nan 0.000 0.436 406 A N 1.901 124.508 122.820 -0.355 0.000 1.892 406 A HA -0.235 4.085 4.320 0.000 0.000 0.218 406 A C 1.674 179.309 177.584 0.085 0.000 1.188 406 A CA 1.857 53.790 52.037 -0.173 0.000 0.631 406 A CB -0.541 18.318 19.000 -0.235 0.000 0.822 406 A HN 0.301 nan 8.150 nan 0.000 0.447 407 N N 0.094 118.808 118.700 0.023 0.000 2.461 407 N HA -0.018 4.722 4.740 0.000 0.000 0.188 407 N C -0.108 175.390 175.510 -0.021 0.000 1.134 407 N CA 0.611 53.670 53.050 0.015 0.000 0.878 407 N CB -0.119 38.346 38.487 -0.036 0.000 0.972 407 N HN 0.466 nan 8.380 nan 0.000 0.456 408 D N 0.642 121.040 120.400 -0.003 0.000 2.741 408 D HA 0.090 4.730 4.640 0.000 0.000 0.233 408 D C -0.699 175.615 176.300 0.025 0.000 1.160 408 D CA 0.014 54.011 54.000 -0.004 0.000 1.003 408 D CB -0.177 40.624 40.800 0.001 0.000 1.064 408 D HN -0.071 nan 8.370 nan 0.000 0.503 409 T N -0.072 114.483 114.554 0.001 0.000 2.853 409 T HA 0.246 4.596 4.350 0.000 0.000 0.311 409 T C 1.349 175.976 174.700 -0.122 0.000 1.307 409 T CA -0.740 61.364 62.100 0.007 0.000 1.019 409 T CB 0.655 69.617 68.868 0.156 0.000 1.264 409 T HN 0.134 nan 8.240 nan 0.000 0.497 410 I N 0.204 120.605 120.570 -0.282 0.000 2.830 410 I HA 0.345 4.516 4.170 0.000 0.000 0.263 410 I C -0.046 175.794 176.117 -0.462 0.000 1.230 410 I CA 0.290 61.332 61.300 -0.430 0.000 1.480 410 I CB -0.323 37.320 38.000 -0.596 0.000 1.095 410 I HN 0.237 nan 8.210 nan 0.000 0.455 411 F N 1.863 121.792 119.950 -0.035 0.000 2.380 411 F HA 0.672 5.199 4.527 0.000 0.000 0.319 411 F C 1.140 176.823 175.800 -0.195 0.000 1.113 411 F CA -0.782 57.195 58.000 -0.038 0.000 1.056 411 F CB 1.153 40.187 39.000 0.057 0.000 1.289 411 F HN -0.087 nan 8.300 nan 0.000 0.515 412 G N 0.955 109.768 108.800 0.021 0.000 5.061 412 G HA2 0.291 4.251 3.960 0.000 0.000 0.213 412 G HA3 0.291 4.251 3.960 0.000 0.000 0.213 412 G C -0.456 174.445 174.900 0.001 0.000 1.463 412 G CA -0.173 44.710 45.100 -0.363 0.000 0.617 412 G HN 0.522 nan 8.290 nan 0.000 0.289 413 L N 1.054 122.435 121.223 0.263 0.000 2.157 413 L HA 0.879 5.219 4.340 0.000 0.000 0.201 413 L C 1.331 178.357 176.870 0.259 0.000 1.221 413 L CA 1.360 56.339 54.840 0.231 0.000 0.915 413 L CB -0.304 41.860 42.059 0.176 0.000 1.013 413 L HN 0.314 nan 8.230 nan 0.000 0.522 414 A N -0.915 122.012 122.820 0.178 0.000 2.325 414 A HA 0.841 5.161 4.320 0.000 0.000 0.333 414 A C -0.877 176.496 177.584 -0.353 0.000 1.155 414 A CA 0.075 52.060 52.037 -0.088 0.000 0.814 414 A CB 0.875 19.801 19.000 -0.123 0.000 1.206 414 A HN 0.648 nan 8.150 nan 0.000 0.482 415 A N 0.402 122.827 122.820 -0.659 0.000 2.566 415 A HA 0.850 5.170 4.320 0.000 0.000 0.292 415 A C -1.663 175.481 177.584 -0.735 0.000 1.112 415 A CA -0.478 51.124 52.037 -0.724 0.000 0.707 415 A CB 1.028 19.439 19.000 -0.982 0.000 1.302 415 A HN 0.954 nan 8.150 nan 0.000 0.409 416 Y N -0.668 119.586 120.300 -0.077 0.000 2.504 416 Y HA 0.659 5.210 4.550 0.000 0.000 0.344 416 Y C -0.589 175.251 175.900 -0.099 0.000 1.023 416 Y CA -0.745 57.297 58.100 -0.097 0.000 1.020 416 Y CB 2.158 40.550 38.460 -0.114 0.000 1.282 416 Y HN 0.850 nan 8.280 nan 0.000 0.454 417 F N -0.447 119.431 119.950 -0.120 0.000 2.641 417 F HA 0.755 5.282 4.527 0.000 0.000 0.308 417 F C -2.353 173.451 175.800 0.006 0.000 1.105 417 F CA -1.695 56.262 58.000 -0.073 0.000 0.964 417 F CB 1.377 40.394 39.000 0.028 0.000 1.294 417 F HN 0.374 nan 8.300 nan 0.000 0.442 418 Y N 1.161 121.499 120.300 0.063 0.000 2.341 418 Y HA 0.666 5.216 4.550 0.000 0.000 0.338 418 Y C 0.165 176.302 175.900 0.395 0.000 0.965 418 Y CA -0.579 57.591 58.100 0.117 0.000 1.108 418 Y CB 2.262 40.764 38.460 0.070 0.000 1.180 418 Y HN 0.985 nan 8.280 nan 0.000 0.458 419 T N 1.833 116.645 114.554 0.430 0.000 2.893 419 T HA 0.186 4.536 4.350 0.000 0.000 0.337 419 T C -0.284 174.599 174.700 0.304 0.000 1.587 419 T CA -0.616 61.715 62.100 0.386 0.000 1.066 419 T CB 1.245 70.297 68.868 0.307 0.000 1.414 419 T HN 0.640 nan 8.240 nan 0.000 0.488 420 E N 1.650 121.978 120.200 0.214 0.000 2.472 420 E HA 0.114 4.464 4.350 0.000 0.000 0.196 420 E C 0.510 177.206 176.600 0.161 0.000 1.033 420 E CA -0.053 56.450 56.400 0.171 0.000 0.886 420 E CB 0.251 30.032 29.700 0.135 0.000 0.944 420 E HN 0.530 nan 8.360 nan 0.000 0.492 421 N N 0.663 119.441 118.700 0.130 0.000 2.444 421 N HA -0.009 4.731 4.740 0.000 0.000 0.271 421 N C 0.510 176.087 175.510 0.111 0.000 1.069 421 N CA -0.111 53.001 53.050 0.103 0.000 0.965 421 N CB 0.727 39.232 38.487 0.029 0.000 1.092 421 N HN -0.122 nan 8.380 nan 0.000 0.476 422 F N 3.844 123.808 119.950 0.024 0.000 2.095 422 F HA -0.168 4.359 4.527 0.000 0.000 0.298 422 F C 2.261 178.052 175.800 -0.015 0.000 1.104 422 F CA 1.538 59.551 58.000 0.021 0.000 1.232 422 F CB -0.246 38.764 39.000 0.017 0.000 0.987 422 F HN 0.479 nan 8.300 nan 0.000 0.475 423 S N 0.201 115.874 115.700 -0.046 0.000 2.368 423 S HA -0.174 4.296 4.470 0.000 0.000 0.224 423 S C 2.121 176.573 174.600 -0.246 0.000 1.029 423 S CA 1.118 59.218 58.200 -0.166 0.000 0.988 423 S CB -0.410 62.781 63.200 -0.015 0.000 0.838 423 S HN 0.381 nan 8.310 nan 0.000 0.462 424 R N 1.052 121.425 120.500 -0.210 0.000 2.127 424 R HA -0.095 4.245 4.340 0.000 0.000 0.238 424 R C 2.292 178.397 176.300 -0.324 0.000 1.134 424 R CA 1.234 57.157 56.100 -0.296 0.000 0.975 424 R CB -0.405 29.681 30.300 -0.356 0.000 0.865 424 R HN 0.388 nan 8.270 nan 0.000 0.447 425 A N 1.478 124.132 122.820 -0.277 0.000 1.865 425 A HA -0.169 4.151 4.320 0.000 0.000 0.217 425 A C 2.033 179.436 177.584 -0.302 0.000 1.191 425 A CA 1.357 53.221 52.037 -0.290 0.000 0.623 425 A CB -0.460 18.306 19.000 -0.391 0.000 0.826 425 A HN 0.248 nan 8.150 nan 0.000 0.444 426 I N -0.168 120.157 120.570 -0.408 0.000 2.127 426 I HA -0.255 3.916 4.170 0.000 0.000 0.241 426 I C 2.622 178.579 176.117 -0.266 0.000 1.075 426 I CA 1.733 62.837 61.300 -0.326 0.000 1.334 426 I CB -1.518 36.270 38.000 -0.354 0.000 1.040 426 I HN 0.368 nan 8.210 nan 0.000 0.405 427 R N 0.157 120.489 120.500 -0.279 0.000 2.083 427 R HA -0.130 4.210 4.340 0.000 0.000 0.237 427 R C 2.341 178.464 176.300 -0.295 0.000 1.137 427 R CA 1.459 57.411 56.100 -0.247 0.000 0.951 427 R CB -0.441 29.721 30.300 -0.230 0.000 0.851 427 R HN 0.245 nan 8.270 nan 0.000 0.434 428 V N 0.867 120.516 119.914 -0.442 0.000 2.488 428 V HA -0.190 3.930 4.120 0.000 0.000 0.246 428 V C 2.478 178.218 176.094 -0.590 0.000 1.046 428 V CA 1.823 63.765 62.300 -0.597 0.000 1.053 428 V CB -0.210 31.028 31.823 -0.975 0.000 0.679 428 V HN 0.459 nan 8.190 nan 0.000 0.458 429 S N 0.524 115.918 115.700 -0.509 0.000 2.370 429 S HA -0.280 4.191 4.470 0.000 0.000 0.226 429 S C 1.769 176.293 174.600 -0.126 0.000 1.033 429 S CA 1.888 59.999 58.200 -0.149 0.000 1.011 429 S CB -0.489 62.736 63.200 0.041 0.000 0.852 429 S HN 0.728 nan 8.310 nan 0.000 0.457 430 E N 1.442 121.550 120.200 -0.153 0.000 2.158 430 E HA 0.137 4.487 4.350 0.000 0.000 0.191 430 E C 2.215 178.750 176.600 -0.108 0.000 0.982 430 E CA 0.800 57.133 56.400 -0.112 0.000 0.823 430 E CB -0.246 29.388 29.700 -0.110 0.000 0.766 430 E HN 0.732 nan 8.360 nan 0.000 0.468 431 A N 0.830 123.565 122.820 -0.142 0.000 2.132 431 A HA 0.095 4.415 4.320 0.000 0.000 0.213 431 A C 1.045 178.579 177.584 -0.083 0.000 1.154 431 A CA -0.056 51.911 52.037 -0.117 0.000 0.753 431 A CB -0.049 18.868 19.000 -0.139 0.000 0.826 431 A HN 0.060 nan 8.150 nan 0.000 0.469 432 L N 1.501 122.681 121.223 -0.072 0.000 2.418 432 L HA 0.092 4.432 4.340 0.000 0.000 0.274 432 L C -0.013 176.940 176.870 0.140 0.000 1.135 432 L CA -0.126 54.754 54.840 0.067 0.000 0.870 432 L CB 0.666 42.747 42.059 0.036 0.000 1.154 432 L HN 0.317 nan 8.230 nan 0.000 0.462 433 E N 4.587 124.842 120.200 0.091 0.000 1.972 433 E HA 0.169 4.519 4.350 0.000 0.000 0.292 433 E C -1.402 174.930 176.600 -0.448 0.000 1.193 433 E CA 0.039 56.350 56.400 -0.147 0.000 1.228 433 E CB 0.040 29.604 29.700 -0.225 0.000 1.167 433 E HN 0.346 nan 8.360 nan 0.000 0.479 434 Y N -1.504 118.764 120.300 -0.053 0.000 2.534 434 Y HA 0.308 4.858 4.550 0.000 0.000 0.345 434 Y C 1.300 177.163 175.900 -0.062 0.000 1.031 434 Y CA -1.058 57.014 58.100 -0.047 0.000 1.022 434 Y CB 1.740 40.163 38.460 -0.061 0.000 1.292 434 Y HN 0.241 nan 8.280 nan 0.000 0.459 435 G N 1.236 110.077 108.800 0.068 0.000 2.484 435 G HA2 0.037 3.997 3.960 0.000 0.000 0.218 435 G HA3 0.037 3.997 3.960 0.000 0.000 0.218 435 G C 0.085 174.955 174.900 -0.049 0.000 1.130 435 G CA 0.526 45.625 45.100 -0.002 0.000 0.784 435 G HN 0.431 nan 8.290 nan 0.000 0.543 436 M N 0.267 119.846 119.600 -0.034 0.000 2.271 436 M HA 0.432 4.913 4.480 0.000 0.000 0.285 436 M C -1.755 174.454 176.300 -0.152 0.000 1.059 436 M CA -0.427 54.792 55.300 -0.135 0.000 0.940 436 M CB 3.514 36.005 32.600 -0.181 0.000 1.636 436 M HN -0.264 nan 8.290 nan 0.000 0.460 437 V N 1.813 121.640 119.914 -0.145 0.000 2.483 437 V HA 0.672 4.792 4.120 0.000 0.000 0.297 437 V C 0.237 176.248 176.094 -0.138 0.000 1.027 437 V CA -0.755 61.460 62.300 -0.141 0.000 0.855 437 V CB 1.933 33.762 31.823 0.010 0.000 0.995 437 V HN 0.993 nan 8.190 nan 0.000 0.424 438 G N 2.273 110.937 108.800 -0.227 0.000 2.333 438 G HA2 0.388 4.348 3.960 0.000 0.000 0.290 438 G HA3 0.388 4.348 3.960 0.000 0.000 0.290 438 G C -0.466 174.304 174.900 -0.217 0.000 1.150 438 G CA -0.170 44.885 45.100 -0.076 0.000 0.895 438 G HN 0.870 nan 8.290 nan 0.000 0.444 439 H N 2.996 121.784 119.070 -0.470 0.000 2.595 439 H HA 0.174 4.730 4.556 0.000 0.000 0.313 439 H C 0.159 175.031 175.328 -0.759 0.000 1.023 439 H CA -0.750 54.752 56.048 -0.909 0.000 1.218 439 H CB 0.315 29.599 29.762 -0.797 0.000 1.403 439 H HN 0.568 nan 8.280 nan 0.000 0.477 440 N N 2.682 120.654 118.700 -1.212 0.000 2.741 440 N HA -0.187 4.554 4.740 0.000 0.000 0.250 440 N C -0.847 174.143 175.510 -0.868 0.000 1.115 440 N CA 1.537 53.705 53.050 -1.470 0.000 0.724 440 N CB -1.198 36.744 38.487 -0.908 0.000 1.090 440 N HN 0.695 nan 8.380 nan 0.000 0.558 441 T N -2.686 111.525 114.554 -0.573 0.000 3.012 441 T HA 0.578 4.928 4.350 0.000 0.000 0.330 441 T C 0.774 175.591 174.700 0.195 0.000 1.321 441 T CA 0.056 62.141 62.100 -0.025 0.000 1.067 441 T CB 1.288 70.136 68.868 -0.032 0.000 1.235 441 T HN 0.088 nan 8.240 nan 0.000 0.479 442 G N 2.511 111.474 108.800 0.272 0.000 3.088 442 G HA2 0.364 4.324 3.960 0.000 0.000 0.217 442 G HA3 0.364 4.324 3.960 0.000 0.000 0.217 442 G C 0.068 175.039 174.900 0.117 0.000 1.159 442 G CA -0.010 45.181 45.100 0.151 0.000 0.760 442 G HN 0.585 nan 8.290 nan 0.000 0.550 443 L N 1.693 123.010 121.223 0.156 0.000 2.427 443 L HA 0.413 4.753 4.340 0.000 0.000 0.264 443 L C 0.634 177.585 176.870 0.136 0.000 0.989 443 L CA -0.493 54.419 54.840 0.120 0.000 0.865 443 L CB 1.677 43.769 42.059 0.055 0.000 1.209 443 L HN 0.271 nan 8.230 nan 0.000 0.430 444 I N -1.999 118.687 120.570 0.194 0.000 4.139 444 I HA 0.242 4.412 4.170 0.000 0.000 0.335 444 I C 0.561 176.858 176.117 0.301 0.000 1.327 444 I CA -0.041 61.382 61.300 0.205 0.000 1.112 444 I CB 0.910 39.030 38.000 0.200 0.000 1.058 444 I HN 0.286 nan 8.210 nan 0.000 0.396 445 S N 3.210 119.011 115.700 0.167 0.000 2.548 445 S HA 0.442 4.912 4.470 0.000 0.000 0.277 445 S C -0.309 174.281 174.600 -0.017 0.000 1.315 445 S CA -0.377 57.822 58.200 -0.000 0.000 1.050 445 S CB 0.470 63.441 63.200 -0.381 0.000 0.918 445 S HN 0.789 nan 8.310 nan 0.000 0.497 446 N N 0.357 119.049 118.700 -0.013 0.000 3.339 446 N HA 0.176 4.916 4.740 0.000 0.000 0.275 446 N C -0.118 175.217 175.510 -0.293 0.000 1.514 446 N CA -0.862 52.157 53.050 -0.052 0.000 0.879 446 N CB 0.406 38.873 38.487 -0.033 0.000 1.557 446 N HN 0.393 nan 8.380 nan 0.000 0.524 447 E N -0.181 119.649 120.200 -0.618 0.000 2.447 447 E HA 0.007 4.357 4.350 0.000 0.000 0.195 447 E C 0.899 176.904 176.600 -0.992 0.000 1.028 447 E CA 0.978 56.736 56.400 -1.070 0.000 0.876 447 E CB -0.068 28.833 29.700 -1.331 0.000 0.885 447 E HN 0.540 nan 8.360 nan 0.000 0.500 448 V N -2.003 117.445 119.914 -0.777 0.000 3.354 448 V HA 0.499 4.619 4.120 0.000 0.000 0.258 448 V C 1.061 176.909 176.094 -0.410 0.000 1.159 448 V CA 0.200 61.898 62.300 -1.002 0.000 1.125 448 V CB -0.058 31.354 31.823 -0.684 0.000 0.774 448 V HN 0.301 nan 8.190 nan 0.000 0.464 449 A N 1.673 124.459 122.820 -0.056 0.000 2.337 449 A HA 0.872 5.192 4.320 0.000 0.000 0.331 449 A C -2.939 174.724 177.584 0.131 0.000 1.137 449 A CA -2.178 49.879 52.037 0.033 0.000 0.807 449 A CB 1.003 19.985 19.000 -0.029 0.000 1.250 449 A HN 0.256 nan 8.150 nan 0.000 0.468 450 P HA 0.363 nan 4.420 nan 0.000 0.282 450 P C -1.252 175.952 177.300 -0.160 0.000 1.262 450 P CA 0.371 63.548 63.100 0.129 0.000 0.773 450 P CB 0.161 31.978 31.700 0.195 0.000 0.879 451 F N 2.750 122.774 119.950 0.123 0.000 2.444 451 F HA 0.733 5.260 4.527 0.000 0.000 0.342 451 F C 1.167 177.010 175.800 0.072 0.000 1.121 451 F CA 0.298 58.352 58.000 0.090 0.000 0.997 451 F CB 2.282 41.345 39.000 0.105 0.000 1.130 451 F HN 0.535 nan 8.300 nan 0.000 0.454 452 G N 1.048 109.931 108.800 0.137 0.000 2.324 452 G HA2 0.469 4.429 3.960 0.000 0.000 0.293 452 G HA3 0.469 4.429 3.960 0.000 0.000 0.293 452 G C -1.522 173.415 174.900 0.062 0.000 1.297 452 G CA -0.262 44.900 45.100 0.103 0.000 0.853 452 G HN 0.884 nan 8.290 nan 0.000 0.535 453 G N -1.611 107.223 108.800 0.058 0.000 2.600 453 G HA2 0.927 4.887 3.960 0.000 0.000 0.303 453 G HA3 0.927 4.887 3.960 0.000 0.000 0.303 453 G C -0.067 174.840 174.900 0.011 0.000 1.253 453 G CA 0.191 45.320 45.100 0.047 0.000 0.974 453 G HN 1.857 nan 8.290 nan 0.000 0.483 454 V N -2.481 117.421 119.914 -0.020 0.000 3.234 454 V HA 0.787 4.908 4.120 0.000 0.000 0.317 454 V C 0.695 176.755 176.094 -0.058 0.000 1.147 454 V CA -0.529 61.740 62.300 -0.053 0.000 1.037 454 V CB 1.129 32.898 31.823 -0.090 0.000 1.148 454 V HN 1.115 nan 8.190 nan 0.000 0.455 455 K N -0.679 119.676 120.400 -0.074 0.000 1.939 455 K HA -0.318 4.002 4.320 0.000 0.000 0.165 455 K C 0.948 177.521 176.600 -0.045 0.000 1.508 455 K CA 1.839 58.076 56.287 -0.084 0.000 0.525 455 K CB -1.244 31.175 32.500 -0.135 0.000 0.615 455 K HN 0.854 nan 8.250 nan 0.000 0.888 456 Q N 0.688 120.454 119.800 -0.056 0.000 2.322 456 Q HA 0.118 4.459 4.340 0.000 0.000 0.203 456 Q C 0.972 177.065 176.000 0.155 0.000 0.923 456 Q CA 0.211 56.012 55.803 -0.003 0.000 0.949 456 Q CB 0.333 28.998 28.738 -0.120 0.000 1.039 456 Q HN 0.344 nan 8.270 nan 0.000 0.496 457 S N -0.156 115.644 115.700 0.167 0.000 2.528 457 S HA 0.222 4.692 4.470 0.000 0.000 0.219 457 S C 0.703 175.380 174.600 0.129 0.000 0.985 457 S CA 0.484 58.805 58.200 0.202 0.000 0.914 457 S CB 0.616 63.924 63.200 0.180 0.000 0.776 457 S HN 0.627 nan 8.310 nan 0.000 0.526 458 G N 0.401 109.256 108.800 0.091 0.000 2.320 458 G HA2 0.227 4.187 3.960 0.000 0.000 0.274 458 G HA3 0.227 4.187 3.960 0.000 0.000 0.274 458 G C -2.234 172.694 174.900 0.048 0.000 1.324 458 G CA -1.080 44.068 45.100 0.080 0.000 0.957 458 G HN 0.168 nan 8.290 nan 0.000 0.481 459 L N 0.580 121.831 121.223 0.048 0.000 2.436 459 L HA 0.702 5.042 4.340 0.000 0.000 0.268 459 L C 0.725 177.611 176.870 0.027 0.000 0.974 459 L CA 0.058 54.914 54.840 0.026 0.000 0.826 459 L CB 1.710 43.780 42.059 0.018 0.000 1.291 459 L HN 2.396 nan 8.230 nan 0.000 0.406 460 G N 2.232 111.043 108.800 0.018 0.000 2.795 460 G HA2 -0.101 3.859 3.960 0.000 0.000 0.664 460 G HA3 -0.101 3.859 3.960 0.000 0.000 0.664 460 G C -1.299 173.638 174.900 0.063 0.000 1.381 460 G CA -0.921 44.196 45.100 0.029 0.000 0.853 460 G HN 0.492 nan 8.290 nan 0.000 0.545 461 R N 0.313 120.875 120.500 0.104 0.000 2.750 461 R HA 0.620 4.960 4.340 0.000 0.000 0.281 461 R C -0.265 176.179 176.300 0.241 0.000 0.972 461 R CA -0.727 55.473 56.100 0.166 0.000 0.912 461 R CB 1.918 32.318 30.300 0.166 0.000 1.187 461 R HN 0.755 nan 8.270 nan 0.000 0.464 462 E N -0.063 120.311 120.200 0.290 0.000 2.244 462 E HA 0.595 4.945 4.350 0.000 0.000 0.266 462 E C -0.163 176.736 176.600 0.499 0.000 0.914 462 E CA -0.659 55.935 56.400 0.324 0.000 0.794 462 E CB 2.057 31.842 29.700 0.142 0.000 1.210 462 E HN 0.751 nan 8.360 nan 0.000 0.414 463 G N 1.608 110.802 108.800 0.658 0.000 2.877 463 G HA2 -0.062 3.898 3.960 0.000 0.000 0.279 463 G HA3 -0.062 3.898 3.960 0.000 0.000 0.279 463 G C -0.048 175.082 174.900 0.382 0.000 1.431 463 G CA -0.053 45.393 45.100 0.577 0.000 0.883 463 G HN 1.622 nan 8.290 nan 0.000 0.547 464 S N -2.263 113.372 115.700 -0.109 0.000 3.914 464 S HA -0.020 4.450 4.470 0.000 0.000 0.674 464 S C 0.888 175.737 174.600 0.415 0.000 1.528 464 S CA 1.557 59.767 58.200 0.016 0.000 1.636 464 S CB -0.974 62.311 63.200 0.141 0.000 0.356 464 S HN 2.642 nan 8.310 nan 0.000 1.280 465 K N 0.412 120.956 120.400 0.240 0.000 2.574 465 K HA 0.197 4.517 4.320 0.000 0.000 0.193 465 K C 0.942 177.468 176.600 -0.123 0.000 1.035 465 K CA 1.690 57.992 56.287 0.025 0.000 0.982 465 K CB -0.709 31.686 32.500 -0.176 0.000 0.795 465 K HN 0.654 nan 8.250 nan 0.000 0.491 466 Y N -0.342 120.131 120.300 0.288 0.000 2.458 466 Y HA 0.332 4.882 4.550 0.000 0.000 0.254 466 Y C 2.306 178.383 175.900 0.294 0.000 1.120 466 Y CA -0.084 58.158 58.100 0.236 0.000 1.282 466 Y CB -0.008 38.552 38.460 0.167 0.000 1.109 466 Y HN 0.203 nan 8.280 nan 0.000 0.526 467 G N 0.134 109.271 108.800 0.562 0.000 2.403 467 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 467 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 467 G C 1.658 176.807 174.900 0.415 0.000 1.154 467 G CA 0.639 46.069 45.100 0.551 0.000 0.784 467 G HN 0.441 nan 8.290 nan 0.000 0.538 468 I N 1.187 122.040 120.570 0.472 0.000 2.546 468 I HA -0.087 4.083 4.170 0.000 0.000 0.255 468 I C 2.873 179.148 176.117 0.263 0.000 1.163 468 I CA 1.355 62.835 61.300 0.300 0.000 1.457 468 I CB -0.098 38.086 38.000 0.307 0.000 1.092 468 I HN 0.463 nan 8.210 nan 0.000 0.434 469 E N 0.206 120.548 120.200 0.237 0.000 2.331 469 E HA -0.249 4.101 4.350 0.000 0.000 0.199 469 E C 1.211 177.871 176.600 0.100 0.000 1.008 469 E CA 0.869 57.369 56.400 0.166 0.000 0.843 469 E CB -0.349 29.454 29.700 0.172 0.000 0.761 469 E HN 0.537 nan 8.360 nan 0.000 0.507 470 E N 0.089 120.335 120.200 0.077 0.000 2.418 470 E HA -0.111 4.239 4.350 0.000 0.000 0.197 470 E C 0.375 176.708 176.600 -0.444 0.000 1.026 470 E CA 0.746 57.038 56.400 -0.181 0.000 0.862 470 E CB -0.032 29.512 29.700 -0.260 0.000 0.799 470 E HN 0.570 nan 8.360 nan 0.000 0.518 471 Y N -0.490 119.827 120.300 0.029 0.000 2.612 471 Y HA 0.312 4.862 4.550 0.000 0.000 0.250 471 Y C 0.468 176.388 175.900 0.033 0.000 1.175 471 Y CA -0.139 57.974 58.100 0.022 0.000 1.205 471 Y CB 0.734 39.194 38.460 -0.001 0.000 1.201 471 Y HN -0.171 nan 8.280 nan 0.000 0.532 472 L N 0.206 121.498 121.223 0.115 0.000 2.354 472 L HA 0.541 4.881 4.340 0.000 0.000 0.264 472 L C -0.384 176.521 176.870 0.058 0.000 1.008 472 L CA -1.006 53.888 54.840 0.090 0.000 0.819 472 L CB 2.117 44.231 42.059 0.092 0.000 1.339 472 L HN -0.135 nan 8.230 nan 0.000 0.420 473 E N 0.741 120.973 120.200 0.054 0.000 2.195 473 E HA 0.385 4.736 4.350 0.000 0.000 0.271 473 E C -1.046 175.586 176.600 0.053 0.000 0.923 473 E CA -0.520 55.907 56.400 0.045 0.000 0.790 473 E CB 2.364 32.087 29.700 0.039 0.000 1.155 473 E HN 0.435 nan 8.360 nan 0.000 0.402 474 T N 2.542 117.129 114.554 0.055 0.000 2.817 474 T HA 0.267 4.617 4.350 0.000 0.000 0.293 474 T C 0.148 174.893 174.700 0.075 0.000 0.964 474 T CA -0.220 61.919 62.100 0.067 0.000 1.085 474 T CB 0.723 69.630 68.868 0.064 0.000 0.921 474 T HN 0.200 nan 8.240 nan 0.000 0.502 475 K N 2.943 123.395 120.400 0.086 0.000 2.463 475 K HA 0.341 4.661 4.320 0.000 0.000 0.255 475 K C -1.611 175.076 176.600 0.146 0.000 0.942 475 K CA -0.846 55.497 56.287 0.093 0.000 0.814 475 K CB 1.143 33.677 32.500 0.056 0.000 1.122 475 K HN 0.587 nan 8.250 nan 0.000 0.425 476 Y N 5.759 126.072 120.300 0.021 0.000 2.326 476 Y HA 0.462 5.012 4.550 0.000 0.000 0.337 476 Y C -1.211 174.701 175.900 0.020 0.000 1.023 476 Y CA -1.064 57.049 58.100 0.021 0.000 1.143 476 Y CB 0.621 39.093 38.460 0.020 0.000 1.183 476 Y HN 0.470 nan 8.280 nan 0.000 0.485 477 I N 7.065 127.573 120.570 -0.104 0.000 2.418 477 I HA 0.284 4.455 4.170 0.000 0.000 0.287 477 I C -1.023 174.930 176.117 -0.273 0.000 1.008 477 I CA -0.704 60.446 61.300 -0.249 0.000 1.104 477 I CB 1.456 39.413 38.000 -0.071 0.000 1.264 477 I HN 0.717 nan 8.210 nan 0.000 0.438 478 C N 5.560 124.608 119.300 -0.421 0.000 2.281 478 C HA 0.702 5.162 4.460 0.000 0.000 0.323 478 C C 0.006 174.947 174.990 -0.082 0.000 1.270 478 C CA -0.099 58.805 59.018 -0.190 0.000 1.559 478 C CB -0.176 27.405 27.740 -0.265 0.000 2.239 478 C HN 0.788 nan 8.230 nan 0.000 0.488 479 S N 4.288 119.993 115.700 0.008 0.000 2.478 479 S HA 0.783 5.253 4.470 0.000 0.000 0.312 479 S C -0.176 174.485 174.600 0.102 0.000 1.094 479 S CA -0.420 57.803 58.200 0.038 0.000 1.081 479 S CB 1.599 64.826 63.200 0.045 0.000 1.007 479 S HN 1.133 nan 8.310 nan 0.000 0.475 480 A N 2.779 125.645 122.820 0.077 0.000 2.306 480 A HA 0.828 5.148 4.320 0.000 0.000 0.314 480 A C -0.748 176.910 177.584 0.123 0.000 1.164 480 A CA -0.634 51.443 52.037 0.067 0.000 0.822 480 A CB 0.278 19.277 19.000 -0.003 0.000 1.130 480 A HN 0.922 nan 8.150 nan 0.000 0.496 481 Y N -1.151 119.149 120.300 -0.001 0.000 2.609 481 Y HA 0.791 5.341 4.550 0.000 0.000 0.342 481 Y C -0.101 175.799 175.900 -0.000 0.000 1.058 481 Y CA -0.880 57.219 58.100 -0.001 0.000 1.055 481 Y CB 0.846 39.306 38.460 -0.000 0.000 1.292 481 Y HN 0.729 nan 8.280 nan 0.000 0.476 482 K N 2.603 122.984 120.400 -0.032 0.000 2.276 482 K HA 0.518 4.838 4.320 0.000 0.000 0.285 482 K C -0.402 176.159 176.600 -0.066 0.000 1.062 482 K CA -0.745 55.473 56.287 -0.115 0.000 0.918 482 K CB 0.273 32.765 32.500 -0.014 0.000 1.055 482 K HN 0.891 nan 8.250 nan 0.000 0.477 483 R N 0.000 120.376 120.500 -0.206 0.000 2.786 483 R HA 0.000 4.340 4.340 0.000 0.000 0.208 483 R CA 0.000 56.080 56.100 -0.034 0.000 0.921 483 R CB 0.000 30.239 30.300 -0.101 0.000 0.687 483 R HN 0.000 nan 8.270 nan 0.000 0.535