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 3lrc_1_C DATA FIRST_RESID 6 DATA SEQUENCE DAHKVGLIPV TLMVSGNIMG SGVFLLPANL ASTGGIAIYG WLVTIIGALG DATA SEQUENCE LSMVYAKMSF LDPSPGGSYA YARRCFGPFL GYQTNVLYWL ACWIGNIAMV DATA SEQUENCE VIGVGYLSYF FPILKDPLVL TITCVVVLWI FVLLNIVGPK MITRVQAVAT DATA SEQUENCE VLALIPIVGI AVFGWFWFRG ETYMAAWNVS GLGTFGAIQS TLNVTLWSFI DATA SEQUENCE GVESASVAAG VVKNPKRNVP IATIGGVLIA AVCYVLSTTA IMGMIPNXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXTAG AIVSFCAAAG CLGSLGGWTL LAGQTAKAAA DATA SEQUENCE DDGLFPPIFA RVNKAGTPVA GLIIVGILMT IFQLSSISPN ATKEFGLVSS DATA SEQUENCE VSVIFTLVPY LYTCAALLLL GHGHFGKARP AYLAVTTIAF LYCIWAVVGS DATA SEQUENCE GAKEVMWSFV TLMVITAMYA LNYNRLHKNP 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.317 176.300 0.028 0.000 2.045 6 D CA 0.000 54.014 54.000 0.024 0.000 0.868 6 D CB 0.000 40.815 40.800 0.025 0.000 0.688 7 A N 0.895 123.746 122.820 0.051 0.000 2.498 7 A HA 0.015 4.335 4.320 0.001 0.000 0.238 7 A C 0.758 178.383 177.584 0.069 0.000 1.225 7 A CA -0.011 52.054 52.037 0.046 0.000 0.978 7 A CB 0.036 19.061 19.000 0.041 0.000 1.142 7 A HN 0.570 nan 8.150 nan 0.000 0.552 8 H N 0.607 119.678 119.070 0.002 0.000 2.610 8 H HA 0.216 4.773 4.556 0.001 0.000 0.302 8 H C -0.304 175.027 175.328 0.005 0.000 1.063 8 H CA 0.367 56.418 56.048 0.005 0.000 1.159 8 H CB 0.234 30.000 29.762 0.006 0.000 1.427 8 H HN 0.120 nan 8.280 nan 0.000 0.553 9 K N 0.637 121.026 120.400 -0.019 0.000 2.619 9 K HA 0.156 4.476 4.320 0.001 0.000 0.201 9 K C 0.280 176.857 176.600 -0.039 0.000 1.090 9 K CA -0.381 55.892 56.287 -0.023 0.000 1.063 9 K CB 0.662 33.171 32.500 0.015 0.000 0.810 9 K HN 0.066 nan 8.250 nan 0.000 0.506 10 V N -0.602 119.276 119.914 -0.060 0.000 3.755 10 V HA -0.148 3.973 4.120 0.001 0.000 0.535 10 V C 0.587 176.666 176.094 -0.025 0.000 0.682 10 V CA 0.589 62.862 62.300 -0.045 0.000 2.097 10 V CB -1.185 30.612 31.823 -0.042 0.000 2.496 10 V HN 0.524 nan 8.190 nan 0.000 0.518 11 G N -1.346 107.443 108.800 -0.019 0.000 2.687 11 G HA2 0.691 4.652 3.960 0.001 0.000 0.291 11 G HA3 0.691 4.652 3.960 0.001 0.000 0.291 11 G C -0.145 174.751 174.900 -0.006 0.000 1.420 11 G CA -0.322 44.770 45.100 -0.012 0.000 0.796 11 G HN 1.588 nan 8.290 nan 0.000 0.485 12 L N 0.397 121.618 121.223 -0.003 0.000 2.021 12 L HA -0.115 4.225 4.340 0.001 0.000 0.215 12 L C 2.675 179.547 176.870 0.004 0.000 1.074 12 L CA 1.961 56.802 54.840 0.002 0.000 0.760 12 L CB -0.464 41.597 42.059 0.005 0.000 0.889 12 L HN 0.621 nan 8.230 nan 0.000 0.433 13 I N -0.288 120.283 120.570 0.002 0.000 2.118 13 I HA -0.258 3.912 4.170 0.001 0.000 0.241 13 I C -0.441 175.678 176.117 0.003 0.000 1.070 13 I CA 1.748 63.050 61.300 0.004 0.000 1.327 13 I CB -1.510 36.492 38.000 0.003 0.000 1.034 13 I HN 0.350 nan 8.210 nan 0.000 0.405 14 P HA 0.054 nan 4.420 nan 0.000 0.255 14 P C 1.573 178.874 177.300 0.003 0.000 1.248 14 P CA 0.420 63.520 63.100 0.001 0.000 0.807 14 P CB 0.319 32.018 31.700 -0.002 0.000 1.150 15 V N 0.300 120.216 119.914 0.004 0.000 2.346 15 V HA -0.184 3.936 4.120 0.001 0.000 0.244 15 V C 2.573 178.676 176.094 0.016 0.000 1.037 15 V CA 2.620 64.925 62.300 0.008 0.000 1.029 15 V CB -1.864 29.963 31.823 0.006 0.000 0.663 15 V HN 0.259 nan 8.190 nan 0.000 0.454 16 T N -1.130 113.433 114.554 0.016 0.000 2.788 16 T HA -0.164 4.186 4.350 0.001 0.000 0.268 16 T C 1.903 176.614 174.700 0.019 0.000 1.044 16 T CA 1.476 63.589 62.100 0.021 0.000 1.139 16 T CB -0.504 68.376 68.868 0.019 0.000 0.867 16 T HN 0.339 nan 8.240 nan 0.000 0.454 17 L N 0.191 121.420 121.223 0.011 0.000 2.046 17 L HA -0.009 4.331 4.340 0.001 0.000 0.208 17 L C 2.963 179.839 176.870 0.010 0.000 1.077 17 L CA 1.887 56.730 54.840 0.005 0.000 0.747 17 L CB -0.595 41.463 42.059 -0.000 0.000 0.896 17 L HN 0.343 nan 8.230 nan 0.000 0.432 18 M N -0.243 119.366 119.600 0.015 0.000 2.065 18 M HA -0.224 4.256 4.480 0.001 0.000 0.259 18 M C 2.251 178.579 176.300 0.047 0.000 1.071 18 M CA 2.088 57.403 55.300 0.025 0.000 1.109 18 M CB -0.155 32.458 32.600 0.022 0.000 1.313 18 M HN 0.021 nan 8.290 nan 0.000 0.408 19 V N 0.064 120.007 119.914 0.047 0.000 2.287 19 V HA -0.270 3.851 4.120 0.001 0.000 0.248 19 V C 2.600 178.745 176.094 0.086 0.000 1.053 19 V CA 2.223 64.564 62.300 0.068 0.000 1.027 19 V CB -1.091 30.767 31.823 0.059 0.000 0.646 19 V HN 0.699 nan 8.190 nan 0.000 0.447 20 S N 0.453 116.188 115.700 0.059 0.000 2.345 20 S HA -0.082 4.388 4.470 0.001 0.000 0.220 20 S C 1.942 176.559 174.600 0.027 0.000 1.031 20 S CA 1.473 59.701 58.200 0.047 0.000 0.996 20 S CB -0.634 62.574 63.200 0.013 0.000 0.882 20 S HN 0.633 nan 8.310 nan 0.000 0.445 21 G N 0.362 109.169 108.800 0.011 0.000 2.776 21 G HA2 -0.023 3.937 3.960 0.001 0.000 0.209 21 G HA3 -0.023 3.937 3.960 0.001 0.000 0.209 21 G C 0.968 175.873 174.900 0.009 0.000 1.145 21 G CA 0.251 45.342 45.100 -0.016 0.000 0.791 21 G HN 0.690 nan 8.290 nan 0.000 0.530 22 N N -0.649 118.105 118.700 0.090 0.000 2.254 22 N HA 0.157 4.897 4.740 0.001 0.000 0.190 22 N C 1.486 177.106 175.510 0.183 0.000 1.107 22 N CA -0.141 53.023 53.050 0.189 0.000 0.869 22 N CB 0.330 39.065 38.487 0.414 0.000 0.983 22 N HN 0.319 nan 8.380 nan 0.000 0.487 23 I N -0.590 120.063 120.570 0.139 0.000 2.927 23 I HA 0.037 4.207 4.170 0.001 0.000 0.268 23 I C 2.122 178.253 176.117 0.022 0.000 1.153 23 I CA 0.135 61.516 61.300 0.134 0.000 1.459 23 I CB -0.083 38.053 38.000 0.227 0.000 1.149 23 I HN -0.002 nan 8.210 nan 0.000 0.443 24 M N 1.638 121.204 119.600 -0.056 0.000 3.267 24 M HA -0.245 4.235 4.480 0.001 0.000 0.277 24 M C 1.643 177.903 176.300 -0.067 0.000 1.045 24 M CA 2.678 57.886 55.300 -0.152 0.000 1.055 24 M CB -0.905 31.619 32.600 -0.127 0.000 1.224 24 M HN 0.425 nan 8.290 nan 0.000 0.557 25 G N -4.502 104.262 108.800 -0.060 0.000 3.989 25 G HA2 0.012 3.972 3.960 0.001 0.000 0.183 25 G HA3 0.012 3.972 3.960 0.001 0.000 0.183 25 G C 0.693 175.487 174.900 -0.176 0.000 0.892 25 G CA 0.481 45.514 45.100 -0.112 0.000 0.914 25 G HN 0.586 nan 8.290 nan 0.000 0.347 26 S N -0.274 115.311 115.700 -0.190 0.000 3.073 26 S HA 0.500 4.971 4.470 0.001 0.000 0.252 26 S C 1.048 175.541 174.600 -0.179 0.000 0.953 26 S CA 1.116 59.153 58.200 -0.271 0.000 1.105 26 S CB 0.152 63.140 63.200 -0.353 0.000 1.070 26 S HN 1.260 nan 8.310 nan 0.000 0.574 27 G N -0.130 108.626 108.800 -0.075 0.000 3.155 27 G HA2 0.184 4.145 3.960 0.001 0.000 0.193 27 G HA3 0.184 4.145 3.960 0.001 0.000 0.193 27 G C 0.860 175.807 174.900 0.077 0.000 1.215 27 G CA 0.546 45.630 45.100 -0.026 0.000 0.917 27 G HN 0.281 nan 8.290 nan 0.000 0.756 28 V N 0.707 120.704 119.914 0.139 0.000 2.244 28 V HA 0.079 4.199 4.120 0.001 0.000 0.244 28 V C 1.467 177.654 176.094 0.156 0.000 1.042 28 V CA 0.981 63.398 62.300 0.194 0.000 1.006 28 V CB -0.473 31.452 31.823 0.171 0.000 0.641 28 V HN 0.315 nan 8.190 nan 0.000 0.446 29 F N 0.375 120.372 119.950 0.078 0.000 2.626 29 F HA 0.252 4.779 4.527 0.001 0.000 0.368 29 F C 0.841 176.705 175.800 0.107 0.000 1.227 29 F CA 0.656 58.713 58.000 0.095 0.000 1.302 29 F CB -0.237 38.853 39.000 0.150 0.000 1.733 29 F HN 0.016 nan 8.300 nan 0.000 0.672 30 L N 0.462 121.705 121.223 0.033 0.000 4.451 30 L HA -0.116 4.224 4.340 0.001 0.000 0.483 30 L C 1.446 178.314 176.870 -0.004 0.000 0.849 30 L CA 0.037 54.891 54.840 0.023 0.000 2.090 30 L CB -0.556 41.564 42.059 0.101 0.000 2.430 30 L HN 0.181 nan 8.230 nan 0.000 0.555 31 L N 1.213 122.447 121.223 0.018 0.000 1.989 31 L HA -0.146 4.194 4.340 0.001 0.000 0.211 31 L C -0.524 176.370 176.870 0.040 0.000 1.071 31 L CA 2.122 56.986 54.840 0.040 0.000 0.749 31 L CB -1.325 40.805 42.059 0.118 0.000 0.890 31 L HN 0.196 nan 8.230 nan 0.000 0.431 32 P HA -0.182 nan 4.420 nan 0.000 0.216 32 P C 1.449 178.737 177.300 -0.020 0.000 1.153 32 P CA 1.831 64.933 63.100 0.003 0.000 0.858 32 P CB -0.047 31.612 31.700 -0.068 0.000 0.789 33 A N -0.302 122.488 122.820 -0.050 0.000 1.908 33 A HA -0.242 4.079 4.320 0.001 0.000 0.218 33 A C 2.059 179.638 177.584 -0.009 0.000 1.181 33 A CA 2.110 54.124 52.037 -0.037 0.000 0.627 33 A CB -1.550 17.423 19.000 -0.045 0.000 0.818 33 A HN 0.145 nan 8.150 nan 0.000 0.445 34 N N -0.288 118.412 118.700 0.001 0.000 2.396 34 N HA -0.035 4.706 4.740 0.001 0.000 0.180 34 N C 0.749 176.258 175.510 -0.002 0.000 1.028 34 N CA 1.158 54.215 53.050 0.012 0.000 0.893 34 N CB -0.225 38.274 38.487 0.021 0.000 0.967 34 N HN 0.503 nan 8.380 nan 0.000 0.440 35 L N -2.438 118.782 121.223 -0.005 0.000 2.872 35 L HA 0.576 4.916 4.340 0.001 0.000 0.245 35 L C 1.306 178.176 176.870 0.000 0.000 1.211 35 L CA -0.342 54.491 54.840 -0.012 0.000 1.013 35 L CB -0.402 41.645 42.059 -0.020 0.000 1.326 35 L HN -0.139 nan 8.230 nan 0.000 0.525 36 A N 0.347 123.167 122.820 0.000 0.000 1.956 36 A HA 0.001 4.322 4.320 0.001 0.000 0.212 36 A C 2.371 179.956 177.584 0.002 0.000 1.188 36 A CA 1.121 53.159 52.037 0.001 0.000 0.675 36 A CB -0.475 18.522 19.000 -0.006 0.000 0.845 36 A HN 0.496 nan 8.150 nan 0.000 0.455 37 S N 0.555 116.255 115.700 0.000 0.000 2.447 37 S HA -0.075 4.395 4.470 0.001 0.000 0.233 37 S C 1.436 176.034 174.600 -0.004 0.000 1.006 37 S CA 1.196 59.396 58.200 0.000 0.000 0.957 37 S CB -1.393 61.809 63.200 0.003 0.000 0.773 37 S HN 0.754 nan 8.310 nan 0.000 0.507 38 T N -1.402 113.147 114.554 -0.008 0.000 2.887 38 T HA 0.517 4.867 4.350 0.001 0.000 0.371 38 T C 1.593 176.290 174.700 -0.006 0.000 1.126 38 T CA 0.282 62.373 62.100 -0.014 0.000 1.043 38 T CB -0.509 68.343 68.868 -0.027 0.000 1.362 38 T HN 1.244 nan 8.240 nan 0.000 0.525 39 G N -0.950 107.846 108.800 -0.008 0.000 2.213 39 G HA2 -0.023 3.938 3.960 0.001 0.000 0.236 39 G HA3 -0.023 3.938 3.960 0.001 0.000 0.236 39 G C 0.635 175.516 174.900 -0.031 0.000 0.991 39 G CA 0.249 45.336 45.100 -0.022 0.000 0.629 39 G HN 1.390 nan 8.290 nan 0.000 0.517 40 G N 0.229 109.020 108.800 -0.015 0.000 2.460 40 G HA2 0.368 4.328 3.960 0.001 0.000 0.230 40 G HA3 0.368 4.328 3.960 0.001 0.000 0.230 40 G C 0.872 175.755 174.900 -0.029 0.000 1.248 40 G CA 0.515 45.611 45.100 -0.007 0.000 0.863 40 G HN 1.863 nan 8.290 nan 0.000 0.549 41 I N 0.338 120.901 120.570 -0.012 0.000 2.732 41 I HA -0.207 3.963 4.170 0.001 0.000 0.127 41 I C 1.220 177.227 176.117 -0.182 0.000 0.882 41 I CA 1.082 62.355 61.300 -0.045 0.000 2.786 41 I CB -0.497 37.501 38.000 -0.003 0.000 0.553 41 I HN 2.280 nan 8.210 nan 0.000 0.352 42 A N 4.563 127.208 122.820 -0.290 0.000 2.822 42 A HA -0.240 4.080 4.320 0.001 0.000 0.287 42 A C 1.038 178.578 177.584 -0.074 0.000 1.479 42 A CA 1.207 53.117 52.037 -0.210 0.000 0.779 42 A CB -2.202 16.726 19.000 -0.119 0.000 1.022 42 A HN 0.856 nan 8.150 nan 0.000 0.532 43 I N -1.517 119.000 120.570 -0.089 0.000 2.614 43 I HA -0.233 3.937 4.170 0.001 0.000 0.258 43 I C 2.197 178.474 176.117 0.267 0.000 1.189 43 I CA 1.034 62.430 61.300 0.160 0.000 1.462 43 I CB -0.458 37.589 38.000 0.078 0.000 1.092 43 I HN 0.617 nan 8.210 nan 0.000 0.442 44 Y N 1.680 122.000 120.300 0.035 0.000 2.081 44 Y HA -0.226 4.325 4.550 0.001 0.000 0.280 44 Y C 2.783 178.690 175.900 0.013 0.000 1.163 44 Y CA 0.996 59.102 58.100 0.009 0.000 1.135 44 Y CB -1.722 36.709 38.460 -0.049 0.000 0.970 44 Y HN 0.178 nan 8.280 nan 0.000 0.498 45 G N -0.955 107.919 108.800 0.122 0.000 2.606 45 G HA2 -0.324 3.636 3.960 0.001 0.000 0.221 45 G HA3 -0.324 3.636 3.960 0.001 0.000 0.221 45 G C 1.539 176.400 174.900 -0.066 0.000 1.152 45 G CA 1.289 46.358 45.100 -0.051 0.000 0.765 45 G HN 0.527 nan 8.290 nan 0.000 0.595 46 W N 0.029 121.364 121.300 0.058 0.000 2.355 46 W HA 0.054 4.714 4.660 0.001 0.000 0.309 46 W C 2.484 179.062 176.519 0.097 0.000 1.206 46 W CA 0.381 57.767 57.345 0.068 0.000 1.284 46 W CB -0.521 28.969 29.460 0.050 0.000 1.145 46 W HN 0.071 nan 8.180 nan 0.000 0.502 47 L N 0.335 121.749 121.223 0.319 0.000 1.963 47 L HA -0.249 4.092 4.340 0.001 0.000 0.220 47 L C 1.922 178.873 176.870 0.135 0.000 1.076 47 L CA 2.192 57.149 54.840 0.194 0.000 0.772 47 L CB -1.433 40.703 42.059 0.128 0.000 0.892 47 L HN -0.055 nan 8.230 nan 0.000 0.435 48 V N -0.637 119.326 119.914 0.082 0.000 2.379 48 V HA -0.239 3.882 4.120 0.001 0.000 0.245 48 V C 2.776 178.925 176.094 0.091 0.000 1.044 48 V CA 1.952 64.271 62.300 0.033 0.000 1.036 48 V CB -0.434 31.361 31.823 -0.048 0.000 0.664 48 V HN 0.592 nan 8.190 nan 0.000 0.453 49 T N -0.615 114.013 114.554 0.122 0.000 2.746 49 T HA -0.141 4.210 4.350 0.001 0.000 0.267 49 T C 1.787 176.702 174.700 0.359 0.000 1.039 49 T CA 1.650 63.878 62.100 0.214 0.000 1.142 49 T CB -0.226 68.714 68.868 0.120 0.000 0.866 49 T HN 0.348 nan 8.240 nan 0.000 0.444 50 I N 0.180 120.967 120.570 0.361 0.000 2.286 50 I HA -0.075 4.096 4.170 0.001 0.000 0.245 50 I C 2.306 178.522 176.117 0.164 0.000 1.104 50 I CA 0.956 62.475 61.300 0.366 0.000 1.397 50 I CB -0.196 38.052 38.000 0.414 0.000 1.072 50 I HN 0.306 nan 8.210 nan 0.000 0.417 51 I N 0.532 121.176 120.570 0.124 0.000 2.099 51 I HA -0.278 3.892 4.170 0.001 0.000 0.239 51 I C 2.595 178.719 176.117 0.012 0.000 1.066 51 I CA 1.964 63.295 61.300 0.052 0.000 1.324 51 I CB -0.832 37.189 38.000 0.034 0.000 1.037 51 I HN 0.273 nan 8.210 nan 0.000 0.401 52 G N 0.091 108.925 108.800 0.057 0.000 2.418 52 G HA2 -0.256 3.704 3.960 0.001 0.000 0.217 52 G HA3 -0.256 3.704 3.960 0.001 0.000 0.217 52 G C 1.812 176.585 174.900 -0.212 0.000 1.158 52 G CA 0.840 45.967 45.100 0.044 0.000 0.771 52 G HN 0.526 nan 8.290 nan 0.000 0.545 53 A N 0.319 122.973 122.820 -0.277 0.000 1.902 53 A HA 0.054 4.374 4.320 0.001 0.000 0.217 53 A C 2.373 179.611 177.584 -0.576 0.000 1.181 53 A CA 1.565 53.108 52.037 -0.823 0.000 0.623 53 A CB -0.455 18.103 19.000 -0.737 0.000 0.818 53 A HN 0.365 nan 8.150 nan 0.000 0.443 54 L N -0.099 120.936 121.223 -0.313 0.000 2.131 54 L HA -0.061 4.279 4.340 0.001 0.000 0.210 54 L C 2.507 179.270 176.870 -0.179 0.000 1.092 54 L CA 1.780 56.501 54.840 -0.198 0.000 0.759 54 L CB -0.648 41.365 42.059 -0.076 0.000 0.903 54 L HN 0.374 nan 8.230 nan 0.000 0.435 55 G N -0.754 107.939 108.800 -0.178 0.000 2.446 55 G HA2 -0.286 3.674 3.960 0.001 0.000 0.217 55 G HA3 -0.286 3.674 3.960 0.001 0.000 0.217 55 G C 1.662 176.441 174.900 -0.202 0.000 1.168 55 G CA 0.982 45.994 45.100 -0.147 0.000 0.771 55 G HN 0.386 nan 8.290 nan 0.000 0.551 56 L N 1.143 122.164 121.223 -0.337 0.000 2.046 56 L HA -0.125 4.215 4.340 0.001 0.000 0.208 56 L C 3.312 180.017 176.870 -0.275 0.000 1.077 56 L CA 1.867 56.496 54.840 -0.351 0.000 0.747 56 L CB -0.265 41.468 42.059 -0.543 0.000 0.896 56 L HN 0.463 nan 8.230 nan 0.000 0.432 57 S N -0.656 114.882 115.700 -0.271 0.000 2.383 57 S HA -0.245 4.225 4.470 0.001 0.000 0.227 57 S C 2.001 176.554 174.600 -0.078 0.000 1.026 57 S CA 1.186 59.287 58.200 -0.166 0.000 0.981 57 S CB -0.338 62.768 63.200 -0.157 0.000 0.818 57 S HN 0.393 nan 8.310 nan 0.000 0.472 58 M N 0.706 120.252 119.600 -0.090 0.000 2.108 58 M HA -0.075 4.406 4.480 0.001 0.000 0.261 58 M C 2.309 178.565 176.300 -0.073 0.000 1.066 58 M CA 1.506 56.771 55.300 -0.058 0.000 1.107 58 M CB -0.675 31.900 32.600 -0.042 0.000 1.356 58 M HN 0.291 nan 8.290 nan 0.000 0.406 59 V N -0.531 119.332 119.914 -0.085 0.000 2.231 59 V HA -0.344 3.777 4.120 0.001 0.000 0.248 59 V C 1.995 178.053 176.094 -0.060 0.000 1.054 59 V CA 2.121 64.363 62.300 -0.097 0.000 1.015 59 V CB -0.843 30.922 31.823 -0.096 0.000 0.638 59 V HN 0.416 nan 8.190 nan 0.000 0.444 60 Y N -0.062 120.091 120.300 -0.245 0.000 2.207 60 Y HA -0.285 4.266 4.550 0.001 0.000 0.287 60 Y C 2.464 178.267 175.900 -0.162 0.000 1.156 60 Y CA 1.022 58.972 58.100 -0.249 0.000 1.182 60 Y CB -0.333 37.995 38.460 -0.221 0.000 0.979 60 Y HN 0.286 nan 8.280 nan 0.000 0.521 61 A N 0.167 123.001 122.820 0.023 0.000 1.851 61 A HA -0.234 4.086 4.320 0.001 0.000 0.216 61 A C 1.892 179.483 177.584 0.012 0.000 1.195 61 A CA 1.985 54.034 52.037 0.019 0.000 0.622 61 A CB -0.442 18.565 19.000 0.012 0.000 0.831 61 A HN 0.205 nan 8.150 nan 0.000 0.444 62 K N -1.605 118.733 120.400 -0.103 0.000 2.487 62 K HA 0.246 4.566 4.320 0.001 0.000 0.192 62 K C 1.401 177.922 176.600 -0.132 0.000 1.027 62 K CA 0.450 56.626 56.287 -0.185 0.000 1.054 62 K CB 0.053 32.251 32.500 -0.504 0.000 0.824 62 K HN 0.512 nan 8.250 nan 0.000 0.510 63 M N -0.386 119.124 119.600 -0.151 0.000 2.398 63 M HA -0.022 4.459 4.480 0.001 0.000 0.261 63 M C 1.652 177.975 176.300 0.039 0.000 1.125 63 M CA 1.276 56.476 55.300 -0.166 0.000 1.183 63 M CB -0.301 31.973 32.600 -0.544 0.000 1.322 63 M HN 0.097 nan 8.290 nan 0.000 0.467 64 S N -0.385 115.322 115.700 0.011 0.000 2.469 64 S HA -0.158 4.312 4.470 0.001 0.000 0.238 64 S C 1.945 176.582 174.600 0.062 0.000 0.998 64 S CA 0.843 59.092 58.200 0.082 0.000 0.957 64 S CB -1.478 61.744 63.200 0.036 0.000 0.764 64 S HN 0.523 nan 8.310 nan 0.000 0.514 65 F N 1.788 121.700 119.950 -0.063 0.000 2.250 65 F HA -0.006 4.521 4.527 0.001 0.000 0.301 65 F C 1.637 177.400 175.800 -0.061 0.000 1.077 65 F CA 1.261 59.224 58.000 -0.062 0.000 1.348 65 F CB -0.037 38.914 39.000 -0.082 0.000 1.040 65 F HN 0.199 nan 8.300 nan 0.000 0.509 66 L N -1.047 120.232 121.223 0.093 0.000 2.496 66 L HA 0.074 4.414 4.340 0.001 0.000 0.189 66 L C 0.303 177.141 176.870 -0.052 0.000 1.308 66 L CA 0.325 55.169 54.840 0.006 0.000 0.912 66 L CB -0.785 41.306 42.059 0.054 0.000 1.148 66 L HN -0.204 nan 8.230 nan 0.000 0.537 67 D N 2.120 122.507 120.400 -0.021 0.000 2.564 67 D HA 0.165 4.805 4.640 0.001 0.000 0.226 67 D C -2.411 173.778 176.300 -0.185 0.000 1.149 67 D CA -1.944 51.987 54.000 -0.116 0.000 0.994 67 D CB 0.669 41.378 40.800 -0.150 0.000 1.029 67 D HN 0.001 nan 8.370 nan 0.000 0.517 68 P HA 0.303 nan 4.420 nan 0.000 0.206 68 P C -0.451 176.769 177.300 -0.133 0.000 1.870 68 P CA -0.371 62.649 63.100 -0.133 0.000 1.166 68 P CB 0.866 32.522 31.700 -0.073 0.000 1.760 69 S N 1.099 116.701 115.700 -0.165 0.000 3.294 69 S HA 0.178 4.648 4.470 0.001 0.000 0.195 69 S C -2.534 171.931 174.600 -0.226 0.000 0.943 69 S CA -0.178 57.858 58.200 -0.272 0.000 1.266 69 S CB -1.404 61.582 63.200 -0.358 0.000 1.152 69 S HN 0.212 nan 8.310 nan 0.000 0.386 70 P HA 0.684 nan 4.420 nan 0.000 0.285 70 P C 0.300 177.556 177.300 -0.073 0.000 1.448 70 P CA 0.151 63.191 63.100 -0.101 0.000 0.953 70 P CB 1.052 32.715 31.700 -0.060 0.000 1.175 71 G N 1.834 110.574 108.800 -0.101 0.000 2.574 71 G HA2 0.386 4.346 3.960 0.001 0.000 0.158 71 G HA3 0.386 4.346 3.960 0.001 0.000 0.158 71 G C 0.601 175.455 174.900 -0.077 0.000 1.494 71 G CA 0.457 45.527 45.100 -0.050 0.000 0.742 71 G HN 0.473 nan 8.290 nan 0.000 0.718 72 G N -0.088 108.673 108.800 -0.065 0.000 2.964 72 G HA2 0.302 4.262 3.960 0.001 0.000 0.191 72 G HA3 0.302 4.262 3.960 0.001 0.000 0.191 72 G C 1.153 176.069 174.900 0.028 0.000 1.978 72 G CA 1.523 46.566 45.100 -0.094 0.000 0.861 72 G HN 1.305 nan 8.290 nan 0.000 0.584 73 S N -1.524 114.355 115.700 0.299 0.000 3.097 73 S HA -0.316 4.154 4.470 0.001 0.000 0.371 73 S C 0.652 175.334 174.600 0.136 0.000 1.153 73 S CA 2.468 60.743 58.200 0.126 0.000 1.021 73 S CB -0.845 62.338 63.200 -0.028 0.000 0.917 73 S HN 1.388 nan 8.310 nan 0.000 0.584 74 Y N -2.737 117.544 120.300 -0.032 0.000 2.498 74 Y HA 0.472 5.022 4.550 0.001 0.000 0.298 74 Y C 1.547 177.334 175.900 -0.188 0.000 0.994 74 Y CA 0.739 58.774 58.100 -0.109 0.000 0.958 74 Y CB -0.700 37.646 38.460 -0.191 0.000 1.402 74 Y HN 0.140 nan 8.280 nan 0.000 0.581 75 A N 1.573 124.026 122.820 -0.612 0.000 1.881 75 A HA -0.257 4.063 4.320 0.001 0.000 0.219 75 A C 1.657 178.807 177.584 -0.725 0.000 1.215 75 A CA 2.662 54.189 52.037 -0.851 0.000 0.648 75 A CB -1.698 16.711 19.000 -0.986 0.000 0.832 75 A HN 0.741 nan 8.150 nan 0.000 0.455 76 Y N -0.300 119.819 120.300 -0.301 0.000 2.497 76 Y HA 0.203 4.753 4.550 0.001 0.000 0.292 76 Y C 2.627 178.422 175.900 -0.175 0.000 1.137 76 Y CA 0.247 58.220 58.100 -0.212 0.000 1.285 76 Y CB -0.854 37.498 38.460 -0.180 0.000 0.991 76 Y HN 0.303 nan 8.280 nan 0.000 0.556 77 A N 0.754 123.532 122.820 -0.069 0.000 1.969 77 A HA -0.149 4.172 4.320 0.001 0.000 0.218 77 A C 2.217 179.692 177.584 -0.183 0.000 1.169 77 A CA 0.796 52.803 52.037 -0.050 0.000 0.635 77 A CB -0.568 18.448 19.000 0.027 0.000 0.810 77 A HN 0.361 nan 8.150 nan 0.000 0.445 78 R N -0.680 119.585 120.500 -0.392 0.000 2.417 78 R HA -0.089 4.251 4.340 0.001 0.000 0.220 78 R C 0.507 176.723 176.300 -0.139 0.000 1.128 78 R CA 1.158 57.039 56.100 -0.364 0.000 1.048 78 R CB -0.079 29.947 30.300 -0.457 0.000 0.835 78 R HN 0.542 nan 8.270 nan 0.000 0.483 79 R N -3.000 117.461 120.500 -0.065 0.000 2.496 79 R HA 0.065 4.406 4.340 0.001 0.000 0.369 79 R C 1.227 177.550 176.300 0.039 0.000 0.896 79 R CA -0.173 55.939 56.100 0.019 0.000 1.147 79 R CB -0.331 29.978 30.300 0.016 0.000 1.697 79 R HN 0.063 nan 8.270 nan 0.000 0.518 80 C N 0.023 119.331 119.300 0.014 0.000 2.481 80 C HA 0.237 4.697 4.460 0.001 0.000 0.275 80 C C 1.481 176.502 174.990 0.052 0.000 1.419 80 C CA 0.497 59.499 59.018 -0.027 0.000 1.773 80 C CB -0.692 26.942 27.740 -0.176 0.000 1.862 80 C HN 0.620 nan 8.230 nan 0.000 0.530 81 F N -0.941 118.957 119.950 -0.088 0.000 1.855 81 F HA 0.383 4.911 4.527 0.001 0.000 0.228 81 F C 1.863 177.638 175.800 -0.042 0.000 1.236 81 F CA 0.558 58.533 58.000 -0.043 0.000 1.308 81 F CB -0.005 38.996 39.000 0.002 0.000 1.877 81 F HN -0.038 nan 8.300 nan 0.000 0.272 82 G N 0.301 109.211 108.800 0.185 0.000 3.528 82 G HA2 0.240 4.201 3.960 0.001 0.000 0.266 82 G HA3 0.240 4.201 3.960 0.001 0.000 0.266 82 G C -2.283 172.265 174.900 -0.587 0.000 1.004 82 G CA -0.461 44.559 45.100 -0.133 0.000 0.853 82 G HN 0.138 nan 8.290 nan 0.000 0.501 83 P HA -0.218 nan 4.420 nan 0.000 0.216 83 P C 1.607 178.660 177.300 -0.412 0.000 1.057 83 P CA 0.390 63.060 63.100 -0.717 0.000 0.932 83 P CB -0.141 31.116 31.700 -0.740 0.000 0.567 84 F N -0.021 119.717 119.950 -0.353 0.000 2.064 84 F HA -0.311 4.216 4.527 0.001 0.000 0.292 84 F C 2.155 178.100 175.800 0.241 0.000 1.107 84 F CA 1.966 60.070 58.000 0.172 0.000 1.243 84 F CB -1.403 37.775 39.000 0.296 0.000 0.949 84 F HN -0.124 nan 8.300 nan 0.000 0.506 85 L N -0.042 121.197 121.223 0.026 0.000 2.083 85 L HA -0.160 4.181 4.340 0.001 0.000 0.209 85 L C 2.784 179.674 176.870 0.033 0.000 1.083 85 L CA 1.496 56.309 54.840 -0.044 0.000 0.752 85 L CB -1.497 40.678 42.059 0.192 0.000 0.899 85 L HN 0.523 nan 8.230 nan 0.000 0.433 86 G N -1.720 107.043 108.800 -0.061 0.000 2.408 86 G HA2 -0.223 3.737 3.960 0.001 0.000 0.215 86 G HA3 -0.223 3.737 3.960 0.001 0.000 0.215 86 G C 1.231 176.162 174.900 0.052 0.000 1.156 86 G CA 0.114 45.193 45.100 -0.034 0.000 0.793 86 G HN 0.212 nan 8.290 nan 0.000 0.535 87 Y N 0.885 121.233 120.300 0.080 0.000 2.242 87 Y HA -0.094 4.456 4.550 0.001 0.000 0.291 87 Y C 2.939 178.872 175.900 0.055 0.000 1.137 87 Y CA 1.053 59.183 58.100 0.049 0.000 1.181 87 Y CB -0.575 37.907 38.460 0.036 0.000 0.989 87 Y HN 0.332 nan 8.280 nan 0.000 0.527 88 Q N 0.078 119.953 119.800 0.125 0.000 1.948 88 Q HA -0.227 4.113 4.340 0.001 0.000 0.205 88 Q C 1.928 177.910 176.000 -0.029 0.000 0.992 88 Q CA 2.671 58.413 55.803 -0.102 0.000 0.849 88 Q CB -0.649 27.875 28.738 -0.357 0.000 0.918 88 Q HN 0.359 nan 8.270 nan 0.000 0.421 89 T N 1.413 115.987 114.554 0.032 0.000 2.701 89 T HA -0.278 4.073 4.350 0.001 0.000 0.265 89 T C 1.534 176.281 174.700 0.079 0.000 1.032 89 T CA 1.843 63.984 62.100 0.068 0.000 1.158 89 T CB -0.631 68.347 68.868 0.182 0.000 0.854 89 T HN 0.471 nan 8.240 nan 0.000 0.463 90 N N 0.626 119.338 118.700 0.019 0.000 2.004 90 N HA -0.126 4.614 4.740 0.001 0.000 0.196 90 N C 1.838 177.412 175.510 0.106 0.000 1.064 90 N CA 2.183 55.185 53.050 -0.081 0.000 0.855 90 N CB -0.723 37.493 38.487 -0.452 0.000 1.056 90 N HN 0.278 nan 8.380 nan 0.000 0.423 91 V N 1.669 121.634 119.914 0.087 0.000 2.233 91 V HA -0.289 3.832 4.120 0.001 0.000 0.252 91 V C 2.427 178.690 176.094 0.281 0.000 1.063 91 V CA 2.305 64.772 62.300 0.279 0.000 1.032 91 V CB -1.492 30.434 31.823 0.171 0.000 0.645 91 V HN 0.581 nan 8.190 nan 0.000 0.446 92 L N -1.299 119.964 121.223 0.066 0.000 2.362 92 L HA -0.135 4.206 4.340 0.001 0.000 0.219 92 L C 2.363 179.319 176.870 0.143 0.000 1.134 92 L CA 1.792 56.572 54.840 -0.100 0.000 0.807 92 L CB -0.351 41.480 42.059 -0.381 0.000 0.927 92 L HN 0.478 nan 8.230 nan 0.000 0.447 93 Y N -0.918 119.461 120.300 0.132 0.000 2.301 93 Y HA -0.149 4.401 4.550 0.001 0.000 0.295 93 Y C 2.279 178.323 175.900 0.240 0.000 1.126 93 Y CA 1.129 59.334 58.100 0.174 0.000 1.154 93 Y CB -0.354 38.177 38.460 0.120 0.000 1.075 93 Y HN 0.303 nan 8.280 nan 0.000 0.534 94 W N 1.556 123.117 121.300 0.435 0.000 2.358 94 W HA -0.164 4.497 4.660 0.001 0.000 0.303 94 W C 0.624 177.409 176.519 0.442 0.000 1.208 94 W CA 1.214 58.794 57.345 0.391 0.000 1.274 94 W CB -0.322 29.346 29.460 0.347 0.000 1.138 94 W HN 0.042 nan 8.180 nan 0.000 0.515 95 L N 1.661 123.193 121.223 0.515 0.000 2.416 95 L HA 0.314 4.655 4.340 0.001 0.000 0.243 95 L C 0.504 177.381 176.870 0.013 0.000 1.373 95 L CA 0.982 55.955 54.840 0.220 0.000 1.227 95 L CB -0.527 41.835 42.059 0.505 0.000 1.428 95 L HN 0.259 nan 8.230 nan 0.000 0.425 96 A N 0.444 123.139 122.820 -0.208 0.000 2.413 96 A HA -0.025 4.295 4.320 0.001 0.000 0.220 96 A C 1.049 178.591 177.584 -0.070 0.000 2.888 96 A CA 0.172 52.133 52.037 -0.127 0.000 1.570 96 A CB -1.294 17.771 19.000 0.108 0.000 0.161 96 A HN 0.542 nan 8.150 nan 0.000 0.550 97 C N -1.485 117.749 119.300 -0.110 0.000 2.464 97 C HA 0.254 4.714 4.460 0.001 0.000 0.348 97 C C 2.037 177.116 174.990 0.149 0.000 1.367 97 C CA 1.364 60.411 59.018 0.048 0.000 2.012 97 C CB -0.798 26.964 27.740 0.035 0.000 2.434 97 C HN 1.008 nan 8.230 nan 0.000 0.536 98 W N 0.315 121.467 121.300 -0.246 0.000 2.872 98 W HA 0.362 5.022 4.660 0.001 0.000 0.266 98 W C 1.612 178.012 176.519 -0.199 0.000 1.276 98 W CA 0.393 57.587 57.345 -0.252 0.000 1.471 98 W CB -0.590 28.590 29.460 -0.468 0.000 1.071 98 W HN 0.086 nan 8.180 nan 0.000 0.619 99 I N 1.788 121.620 120.570 -1.229 0.000 2.193 99 I HA -0.096 4.074 4.170 0.001 0.000 0.240 99 I C 2.651 178.458 176.117 -0.516 0.000 1.084 99 I CA 1.848 62.482 61.300 -1.110 0.000 1.365 99 I CB -1.097 36.169 38.000 -1.225 0.000 1.064 99 I HN 0.257 nan 8.210 nan 0.000 0.410 100 G N 0.635 109.196 108.800 -0.397 0.000 2.499 100 G HA2 -0.285 3.676 3.960 0.001 0.000 0.221 100 G HA3 -0.285 3.676 3.960 0.001 0.000 0.221 100 G C 1.290 175.951 174.900 -0.397 0.000 1.109 100 G CA 0.852 45.718 45.100 -0.390 0.000 0.749 100 G HN 0.340 nan 8.290 nan 0.000 0.568 101 N N 0.723 119.274 118.700 -0.249 0.000 2.080 101 N HA -0.057 4.683 4.740 0.001 0.000 0.189 101 N C 2.161 177.592 175.510 -0.131 0.000 1.036 101 N CA 0.924 53.873 53.050 -0.168 0.000 0.846 101 N CB -0.344 38.131 38.487 -0.020 0.000 1.015 101 N HN 0.378 nan 8.380 nan 0.000 0.423 102 I N 0.825 121.349 120.570 -0.076 0.000 2.248 102 I HA -0.273 3.898 4.170 0.001 0.000 0.248 102 I C 2.204 178.294 176.117 -0.045 0.000 1.107 102 I CA 1.204 62.507 61.300 0.005 0.000 1.373 102 I CB -0.387 37.705 38.000 0.154 0.000 1.055 102 I HN 0.091 nan 8.210 nan 0.000 0.418 103 A N 0.661 123.413 122.820 -0.113 0.000 1.877 103 A HA -0.194 4.127 4.320 0.001 0.000 0.216 103 A C 2.413 179.889 177.584 -0.180 0.000 1.186 103 A CA 1.517 53.465 52.037 -0.149 0.000 0.620 103 A CB -0.534 18.329 19.000 -0.228 0.000 0.822 103 A HN 0.300 nan 8.150 nan 0.000 0.443 104 M N 0.088 119.540 119.600 -0.246 0.000 2.149 104 M HA -0.167 4.313 4.480 0.001 0.000 0.261 104 M C 2.161 178.358 176.300 -0.173 0.000 1.064 104 M CA 1.987 57.125 55.300 -0.271 0.000 1.102 104 M CB -0.868 31.520 32.600 -0.353 0.000 1.369 104 M HN 0.471 nan 8.290 nan 0.000 0.408 105 V N -3.560 116.296 119.914 -0.097 0.000 2.446 105 V HA -0.058 4.062 4.120 0.001 0.000 0.244 105 V C 2.309 178.392 176.094 -0.018 0.000 1.039 105 V CA 0.745 63.025 62.300 -0.032 0.000 1.045 105 V CB -1.301 30.536 31.823 0.022 0.000 0.681 105 V HN 0.163 nan 8.190 nan 0.000 0.459 106 V N 0.023 119.922 119.914 -0.025 0.000 2.660 106 V HA -0.210 3.910 4.120 0.001 0.000 0.257 106 V C 2.190 178.291 176.094 0.012 0.000 1.088 106 V CA 2.390 64.686 62.300 -0.008 0.000 1.106 106 V CB -0.381 31.430 31.823 -0.020 0.000 0.686 106 V HN 0.505 nan 8.190 nan 0.000 0.481 107 I N -0.907 119.658 120.570 -0.008 0.000 3.039 107 I HA 0.086 4.256 4.170 0.001 0.000 0.270 107 I C 2.455 178.619 176.117 0.077 0.000 1.150 107 I CA 1.015 62.347 61.300 0.054 0.000 1.448 107 I CB -0.412 37.579 38.000 -0.014 0.000 1.197 107 I HN 0.350 nan 8.210 nan 0.000 0.450 108 G N 0.628 109.373 108.800 -0.092 0.000 2.432 108 G HA2 -0.161 3.799 3.960 0.001 0.000 0.219 108 G HA3 -0.161 3.799 3.960 0.001 0.000 0.219 108 G C 1.506 176.416 174.900 0.018 0.000 1.135 108 G CA 1.002 46.011 45.100 -0.152 0.000 0.767 108 G HN 0.270 nan 8.290 nan 0.000 0.550 109 V N 0.814 120.763 119.914 0.058 0.000 2.992 109 V HA 0.147 4.268 4.120 0.001 0.000 0.250 109 V C 2.929 179.087 176.094 0.107 0.000 1.090 109 V CA 1.055 63.404 62.300 0.080 0.000 1.101 109 V CB -0.285 31.573 31.823 0.060 0.000 0.743 109 V HN 0.369 nan 8.190 nan 0.000 0.468 110 G N -1.125 107.752 108.800 0.128 0.000 2.535 110 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 110 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 110 G C 1.308 176.285 174.900 0.128 0.000 1.122 110 G CA 0.562 45.736 45.100 0.124 0.000 0.769 110 G HN 0.521 nan 8.290 nan 0.000 0.549 111 Y N -0.480 119.798 120.300 -0.037 0.000 2.475 111 Y HA 0.307 4.857 4.550 0.001 0.000 0.289 111 Y C 2.054 177.894 175.900 -0.101 0.000 1.121 111 Y CA 0.270 58.314 58.100 -0.095 0.000 1.257 111 Y CB 0.408 38.779 38.460 -0.148 0.000 1.026 111 Y HN 0.052 nan 8.280 nan 0.000 0.555 112 L N -0.596 120.691 121.223 0.107 0.000 2.984 112 L HA 0.124 4.465 4.340 0.001 0.000 0.246 112 L C 1.736 178.690 176.870 0.140 0.000 1.268 112 L CA 0.220 55.125 54.840 0.108 0.000 1.054 112 L CB -0.165 41.969 42.059 0.126 0.000 1.393 112 L HN 0.055 nan 8.230 nan 0.000 0.532 113 S N -0.461 115.319 115.700 0.132 0.000 2.537 113 S HA -0.044 4.426 4.470 0.001 0.000 0.240 113 S C 0.361 175.027 174.600 0.110 0.000 0.981 113 S CA 1.012 59.276 58.200 0.106 0.000 0.948 113 S CB 0.021 63.293 63.200 0.120 0.000 0.759 113 S HN 0.432 nan 8.310 nan 0.000 0.531 114 Y N -1.684 118.772 120.300 0.260 0.000 2.974 114 Y HA 0.492 5.043 4.550 0.001 0.000 0.310 114 Y C -0.808 175.462 175.900 0.616 0.000 1.551 114 Y CA -1.653 56.647 58.100 0.333 0.000 1.084 114 Y CB 0.726 39.347 38.460 0.268 0.000 1.446 114 Y HN 0.043 nan 8.280 nan 0.000 0.472 115 F N 1.338 121.484 119.950 0.326 0.000 2.257 115 F HA -0.193 4.334 4.527 0.001 0.000 0.431 115 F C -0.173 175.805 175.800 0.297 0.000 1.182 115 F CA 0.226 58.376 58.000 0.249 0.000 1.412 115 F CB -1.583 37.532 39.000 0.192 0.000 2.156 115 F HN 0.490 nan 8.300 nan 0.000 0.758 116 F N -0.551 119.499 119.950 0.167 0.000 2.180 116 F HA -0.317 4.211 4.527 0.001 0.000 0.317 116 F C -0.780 175.058 175.800 0.063 0.000 0.129 116 F CA 1.140 59.196 58.000 0.094 0.000 0.910 116 F CB -1.956 37.098 39.000 0.089 0.000 4.124 116 F HN 0.442 nan 8.300 nan 0.000 0.145 117 P HA -0.303 nan 4.420 nan 0.000 0.272 117 P C -0.201 177.011 177.300 -0.147 0.000 0.984 117 P CA 1.927 64.986 63.100 -0.068 0.000 1.121 117 P CB -0.213 31.506 31.700 0.033 0.000 0.831 118 I N -2.112 118.361 120.570 -0.163 0.000 8.325 118 I HA -0.288 3.882 4.170 0.001 0.000 0.126 118 I C 0.801 176.757 176.117 -0.269 0.000 1.788 118 I CA 1.051 62.164 61.300 -0.313 0.000 2.146 118 I CB -1.014 36.564 38.000 -0.703 0.000 3.690 118 I HN 0.416 nan 8.210 nan 0.000 0.201 119 L N 3.826 124.934 121.223 -0.192 0.000 7.010 119 L HA -0.406 3.934 4.340 0.001 0.000 0.053 119 L C 1.092 177.871 176.870 -0.152 0.000 1.604 119 L CA 1.062 55.817 54.840 -0.142 0.000 1.640 119 L CB -0.890 41.109 42.059 -0.100 0.000 2.749 119 L HN 0.939 nan 8.230 nan 0.000 1.088 120 K N 0.131 120.474 120.400 -0.096 0.000 3.096 120 K HA -0.198 4.122 4.320 0.001 0.000 0.266 120 K C -0.261 176.312 176.600 -0.045 0.000 1.043 120 K CA 1.444 57.692 56.287 -0.065 0.000 0.758 120 K CB -1.668 30.787 32.500 -0.076 0.000 1.260 120 K HN 0.709 nan 8.250 nan 0.000 0.481 121 D N -2.779 117.600 120.400 -0.036 0.000 1.847 121 D HA 0.053 4.694 4.640 0.001 0.000 0.433 121 D C -1.202 175.090 176.300 -0.013 0.000 1.046 121 D CA 0.133 54.123 54.000 -0.016 0.000 1.009 121 D CB -0.292 40.499 40.800 -0.014 0.000 1.834 121 D HN 0.217 nan 8.370 nan 0.000 0.542 122 P HA 0.249 nan 4.420 nan 0.000 0.338 122 P C 1.272 178.564 177.300 -0.013 0.000 1.417 122 P CA -0.303 62.788 63.100 -0.015 0.000 0.868 122 P CB 0.513 32.202 31.700 -0.019 0.000 2.131 123 L N -0.571 120.644 121.223 -0.013 0.000 2.552 123 L HA -0.043 4.297 4.340 0.001 0.000 0.227 123 L C 2.015 178.879 176.870 -0.009 0.000 1.146 123 L CA 0.232 55.066 54.840 -0.011 0.000 0.858 123 L CB -0.298 41.755 42.059 -0.009 0.000 0.969 123 L HN -0.015 nan 8.230 nan 0.000 0.451 124 V N -0.248 119.658 119.914 -0.014 0.000 2.453 124 V HA -0.272 3.848 4.120 0.001 0.000 0.247 124 V C 2.335 178.425 176.094 -0.007 0.000 1.048 124 V CA 1.188 63.480 62.300 -0.014 0.000 1.049 124 V CB -0.165 31.642 31.823 -0.026 0.000 0.672 124 V HN 0.386 nan 8.190 nan 0.000 0.457 125 L N 0.324 121.543 121.223 -0.008 0.000 1.990 125 L HA -0.270 4.070 4.340 0.001 0.000 0.213 125 L C 2.781 179.656 176.870 0.008 0.000 1.072 125 L CA 2.749 57.590 54.840 0.001 0.000 0.755 125 L CB -0.569 41.490 42.059 -0.000 0.000 0.889 125 L HN 0.557 nan 8.230 nan 0.000 0.432 126 T N -1.155 113.400 114.554 0.002 0.000 2.737 126 T HA -0.204 4.147 4.350 0.001 0.000 0.265 126 T C 1.785 176.497 174.700 0.021 0.000 1.038 126 T CA 1.328 63.431 62.100 0.006 0.000 1.144 126 T CB -0.200 68.663 68.868 -0.007 0.000 0.866 126 T HN 0.197 nan 8.240 nan 0.000 0.434 127 I N 1.116 121.696 120.570 0.017 0.000 2.454 127 I HA -0.054 4.117 4.170 0.001 0.000 0.254 127 I C 2.571 178.708 176.117 0.034 0.000 1.156 127 I CA 1.350 62.664 61.300 0.024 0.000 1.433 127 I CB -0.425 37.581 38.000 0.011 0.000 1.082 127 I HN 0.309 nan 8.210 nan 0.000 0.432 128 T N -1.675 112.897 114.554 0.030 0.000 2.976 128 T HA -0.103 4.247 4.350 0.001 0.000 0.257 128 T C 2.076 176.809 174.700 0.054 0.000 1.051 128 T CA 1.183 63.306 62.100 0.038 0.000 1.141 128 T CB -0.257 68.629 68.868 0.030 0.000 0.881 128 T HN 0.405 nan 8.240 nan 0.000 0.461 129 C N 0.836 120.167 119.300 0.052 0.000 2.425 129 C HA 0.002 4.462 4.460 0.001 0.000 0.277 129 C C 2.722 177.766 174.990 0.091 0.000 1.280 129 C CA 0.303 59.358 59.018 0.063 0.000 1.744 129 C CB -1.072 26.694 27.740 0.043 0.000 1.989 129 C HN 0.351 nan 8.230 nan 0.000 0.491 130 V N 0.141 120.114 119.914 0.098 0.000 2.332 130 V HA -0.175 3.945 4.120 0.001 0.000 0.248 130 V C 2.329 178.563 176.094 0.233 0.000 1.055 130 V CA 2.104 64.498 62.300 0.156 0.000 1.038 130 V CB -0.364 31.541 31.823 0.136 0.000 0.651 130 V HN 0.477 nan 8.190 nan 0.000 0.450 131 V N -0.921 119.088 119.914 0.158 0.000 3.129 131 V HA -0.068 4.052 4.120 0.001 0.000 0.259 131 V C 2.160 178.326 176.094 0.119 0.000 1.116 131 V CA 0.986 63.377 62.300 0.152 0.000 1.127 131 V CB 0.698 32.559 31.823 0.064 0.000 0.742 131 V HN 0.401 nan 8.190 nan 0.000 0.474 132 V N -0.345 119.622 119.914 0.089 0.000 2.667 132 V HA -0.144 3.976 4.120 0.001 0.000 0.252 132 V C 2.126 178.253 176.094 0.056 0.000 1.065 132 V CA 1.391 63.713 62.300 0.035 0.000 1.083 132 V CB -0.146 31.721 31.823 0.075 0.000 0.692 132 V HN 0.435 nan 8.190 nan 0.000 0.468 133 L N -1.672 119.631 121.223 0.133 0.000 1.988 133 L HA -0.145 4.195 4.340 0.001 0.000 0.207 133 L C 2.357 179.274 176.870 0.078 0.000 1.071 133 L CA 2.013 56.930 54.840 0.128 0.000 0.744 133 L CB -0.491 41.585 42.059 0.030 0.000 0.893 133 L HN 0.351 nan 8.230 nan 0.000 0.433 134 W N 0.074 121.394 121.300 0.034 0.000 2.359 134 W HA -0.208 4.452 4.660 0.001 0.000 0.275 134 W C 2.342 178.831 176.519 -0.049 0.000 1.217 134 W CA 0.750 58.103 57.345 0.014 0.000 1.196 134 W CB -0.406 29.057 29.460 0.005 0.000 1.129 134 W HN 0.112 nan 8.180 nan 0.000 0.566 135 I N -0.737 119.849 120.570 0.027 0.000 2.087 135 I HA -0.388 3.782 4.170 0.001 0.000 0.240 135 I C 1.994 177.951 176.117 -0.267 0.000 1.054 135 I CA 1.706 62.857 61.300 -0.248 0.000 1.311 135 I CB -0.571 37.051 38.000 -0.630 0.000 1.024 135 I HN -0.088 nan 8.210 nan 0.000 0.402 136 F N -0.469 119.523 119.950 0.070 0.000 2.367 136 F HA -0.086 4.441 4.527 0.001 0.000 0.298 136 F C 2.314 178.138 175.800 0.041 0.000 1.094 136 F CA 0.528 58.556 58.000 0.046 0.000 1.409 136 F CB -1.179 37.837 39.000 0.026 0.000 1.064 136 F HN -0.169 nan 8.300 nan 0.000 0.528 137 V N -0.087 119.919 119.914 0.153 0.000 2.295 137 V HA -0.279 3.841 4.120 0.001 0.000 0.246 137 V C 2.381 178.557 176.094 0.137 0.000 1.049 137 V CA 1.609 63.956 62.300 0.079 0.000 1.024 137 V CB -0.590 31.177 31.823 -0.092 0.000 0.648 137 V HN 0.208 nan 8.190 nan 0.000 0.447 138 L N -0.792 120.536 121.223 0.175 0.000 2.093 138 L HA -0.065 4.275 4.340 0.001 0.000 0.208 138 L C 2.003 178.939 176.870 0.109 0.000 1.085 138 L CA 1.650 56.579 54.840 0.148 0.000 0.755 138 L CB -0.534 41.607 42.059 0.137 0.000 0.904 138 L HN 0.241 nan 8.230 nan 0.000 0.435 139 L N -0.615 120.671 121.223 0.107 0.000 2.622 139 L HA -0.084 4.256 4.340 0.001 0.000 0.233 139 L C 1.655 178.602 176.870 0.129 0.000 1.156 139 L CA 0.453 55.362 54.840 0.116 0.000 0.866 139 L CB -0.589 41.554 42.059 0.141 0.000 0.980 139 L HN 0.445 nan 8.230 nan 0.000 0.448 140 N N 0.008 118.781 118.700 0.123 0.000 2.510 140 N HA 0.107 4.848 4.740 0.001 0.000 0.186 140 N C 1.831 177.392 175.510 0.086 0.000 1.051 140 N CA 0.376 53.485 53.050 0.099 0.000 0.877 140 N CB 0.534 39.078 38.487 0.095 0.000 1.183 140 N HN 0.269 nan 8.380 nan 0.000 0.443 141 I N 1.308 121.934 120.570 0.094 0.000 2.657 141 I HA -0.170 4.001 4.170 0.001 0.000 0.261 141 I C 1.812 177.981 176.117 0.085 0.000 1.212 141 I CA 0.713 62.067 61.300 0.090 0.000 1.453 141 I CB 0.035 38.096 38.000 0.102 0.000 1.092 141 I HN -0.073 nan 8.210 nan 0.000 0.452 142 V N 0.331 120.296 119.914 0.085 0.000 2.685 142 V HA 0.094 4.214 4.120 0.001 0.000 0.244 142 V C 1.922 178.064 176.094 0.081 0.000 1.054 142 V CA 1.130 63.478 62.300 0.081 0.000 1.076 142 V CB -0.890 30.977 31.823 0.072 0.000 0.725 142 V HN 0.477 nan 8.190 nan 0.000 0.467 143 G N 1.099 109.939 108.800 0.067 0.000 2.394 143 G HA2 0.014 3.975 3.960 0.001 0.000 0.256 143 G HA3 0.014 3.975 3.960 0.001 0.000 0.256 143 G C -1.210 173.717 174.900 0.045 0.000 1.504 143 G CA 0.425 45.547 45.100 0.036 0.000 1.051 143 G HN 0.359 nan 8.290 nan 0.000 0.550 144 P HA 0.067 nan 4.420 nan 0.000 0.229 144 P C 1.458 178.736 177.300 -0.036 0.000 1.160 144 P CA 0.888 63.990 63.100 0.002 0.000 0.777 144 P CB 0.163 31.866 31.700 0.004 0.000 0.814 145 K N -0.705 119.628 120.400 -0.112 0.000 2.283 145 K HA -0.058 4.262 4.320 0.001 0.000 0.202 145 K C 1.804 178.361 176.600 -0.070 0.000 1.048 145 K CA 0.794 56.998 56.287 -0.137 0.000 0.948 145 K CB -0.263 32.060 32.500 -0.296 0.000 0.742 145 K HN 0.013 nan 8.250 nan 0.000 0.458 146 M N 0.535 120.114 119.600 -0.035 0.000 2.325 146 M HA -0.044 4.437 4.480 0.001 0.000 0.265 146 M C 1.783 178.103 176.300 0.034 0.000 1.094 146 M CA 0.882 56.186 55.300 0.007 0.000 1.161 146 M CB -0.197 32.421 32.600 0.030 0.000 1.358 146 M HN 0.134 nan 8.290 nan 0.000 0.446 147 I N 0.437 121.033 120.570 0.044 0.000 2.315 147 I HA -0.209 3.961 4.170 0.001 0.000 0.248 147 I C 2.423 178.565 176.117 0.042 0.000 1.117 147 I CA 1.535 62.876 61.300 0.069 0.000 1.404 147 I CB -0.722 37.326 38.000 0.079 0.000 1.071 147 I HN 0.303 nan 8.210 nan 0.000 0.419 148 T N -0.693 113.872 114.554 0.019 0.000 2.867 148 T HA -0.181 4.169 4.350 0.001 0.000 0.268 148 T C 2.220 176.925 174.700 0.009 0.000 1.057 148 T CA 1.268 63.373 62.100 0.008 0.000 1.136 148 T CB -0.187 68.678 68.868 -0.004 0.000 0.874 148 T HN 0.298 nan 8.240 nan 0.000 0.466 149 R N -0.065 120.442 120.500 0.011 0.000 2.115 149 R HA -0.013 4.328 4.340 0.001 0.000 0.230 149 R C 2.338 178.656 176.300 0.030 0.000 1.111 149 R CA 1.177 57.286 56.100 0.015 0.000 0.976 149 R CB -0.301 30.006 30.300 0.012 0.000 0.870 149 R HN 0.317 nan 8.270 nan 0.000 0.445 150 V N 0.485 120.428 119.914 0.047 0.000 2.261 150 V HA -0.276 3.844 4.120 0.001 0.000 0.246 150 V C 2.312 178.429 176.094 0.039 0.000 1.047 150 V CA 2.068 64.409 62.300 0.068 0.000 1.015 150 V CB -0.541 31.357 31.823 0.126 0.000 0.642 150 V HN 0.369 nan 8.190 nan 0.000 0.446 151 Q N 0.071 119.882 119.800 0.017 0.000 2.135 151 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 151 Q C 2.133 178.128 176.000 -0.009 0.000 0.981 151 Q CA 2.122 57.917 55.803 -0.013 0.000 0.856 151 Q CB -0.438 28.291 28.738 -0.015 0.000 0.902 151 Q HN 0.629 nan 8.270 nan 0.000 0.425 152 A N -0.496 122.325 122.820 0.002 0.000 1.858 152 A HA -0.168 4.152 4.320 0.001 0.000 0.216 152 A C 2.222 179.808 177.584 0.002 0.000 1.190 152 A CA 1.814 53.852 52.037 0.001 0.000 0.617 152 A CB -1.025 17.978 19.000 0.005 0.000 0.827 152 A HN 0.290 nan 8.150 nan 0.000 0.443 153 V N -0.029 119.892 119.914 0.012 0.000 2.255 153 V HA -0.258 3.862 4.120 0.001 0.000 0.247 153 V C 3.024 179.124 176.094 0.010 0.000 1.051 153 V CA 2.152 64.463 62.300 0.018 0.000 1.018 153 V CB -1.566 30.276 31.823 0.032 0.000 0.641 153 V HN 0.613 nan 8.190 nan 0.000 0.445 154 A N 1.012 123.832 122.820 0.000 0.000 1.933 154 A HA -0.201 4.120 4.320 0.001 0.000 0.218 154 A C 2.461 180.007 177.584 -0.064 0.000 1.175 154 A CA 2.521 54.539 52.037 -0.032 0.000 0.628 154 A CB -0.987 17.989 19.000 -0.039 0.000 0.814 154 A HN 0.663 nan 8.150 nan 0.000 0.444 155 T N -3.318 111.204 114.554 -0.054 0.000 2.942 155 T HA -0.010 4.340 4.350 0.001 0.000 0.265 155 T C 1.568 176.242 174.700 -0.044 0.000 1.062 155 T CA 1.072 63.135 62.100 -0.062 0.000 1.139 155 T CB -0.458 68.377 68.868 -0.056 0.000 0.883 155 T HN 0.091 nan 8.240 nan 0.000 0.468 156 V N 0.641 120.541 119.914 -0.024 0.000 3.141 156 V HA 0.164 4.284 4.120 0.001 0.000 0.265 156 V C 2.144 178.233 176.094 -0.008 0.000 1.126 156 V CA 0.797 63.090 62.300 -0.013 0.000 1.141 156 V CB -0.689 31.134 31.823 -0.001 0.000 0.743 156 V HN 0.520 nan 8.190 nan 0.000 0.492 157 L N -0.341 120.873 121.223 -0.015 0.000 2.068 157 L HA 0.054 4.395 4.340 0.001 0.000 0.204 157 L C 2.496 179.341 176.870 -0.041 0.000 1.076 157 L CA 1.418 56.254 54.840 -0.006 0.000 0.753 157 L CB -0.521 41.536 42.059 -0.002 0.000 0.910 157 L HN 0.375 nan 8.230 nan 0.000 0.439 158 A N -0.710 122.061 122.820 -0.083 0.000 2.239 158 A HA -0.010 4.310 4.320 0.001 0.000 0.209 158 A C 2.046 179.601 177.584 -0.049 0.000 1.171 158 A CA 0.639 52.623 52.037 -0.089 0.000 0.768 158 A CB -0.355 18.571 19.000 -0.123 0.000 0.790 158 A HN 0.387 nan 8.150 nan 0.000 0.478 159 L N -0.791 120.410 121.223 -0.037 0.000 2.307 159 L HA -0.010 4.330 4.340 0.001 0.000 0.211 159 L C 2.169 179.032 176.870 -0.012 0.000 1.099 159 L CA 0.389 55.213 54.840 -0.025 0.000 0.816 159 L CB -0.335 41.711 42.059 -0.022 0.000 0.952 159 L HN 0.390 nan 8.230 nan 0.000 0.455 160 I N 0.406 120.970 120.570 -0.011 0.000 2.091 160 I HA -0.255 3.915 4.170 0.001 0.000 0.239 160 I C -0.224 175.885 176.117 -0.013 0.000 1.061 160 I CA 1.685 62.975 61.300 -0.016 0.000 1.317 160 I CB -1.802 36.193 38.000 -0.008 0.000 1.031 160 I HN 0.197 nan 8.210 nan 0.000 0.401 161 P HA -0.199 nan 4.420 nan 0.000 0.211 161 P C 1.868 179.197 177.300 0.048 0.000 1.181 161 P CA 1.824 64.946 63.100 0.037 0.000 0.929 161 P CB -0.095 31.643 31.700 0.063 0.000 0.789 162 I N -1.180 119.416 120.570 0.044 0.000 2.099 162 I HA -0.214 3.956 4.170 0.001 0.000 0.239 162 I C 2.260 178.397 176.117 0.034 0.000 1.066 162 I CA 1.546 62.866 61.300 0.033 0.000 1.324 162 I CB -1.351 36.649 38.000 -0.000 0.000 1.037 162 I HN -0.201 nan 8.210 nan 0.000 0.401 163 V N 1.716 121.646 119.914 0.025 0.000 2.469 163 V HA -0.212 3.909 4.120 0.001 0.000 0.251 163 V C 2.668 178.828 176.094 0.111 0.000 1.064 163 V CA 2.085 64.415 62.300 0.051 0.000 1.066 163 V CB -1.605 30.240 31.823 0.037 0.000 0.667 163 V HN 0.623 nan 8.190 nan 0.000 0.461 164 G N 0.444 109.284 108.800 0.068 0.000 2.418 164 G HA2 -0.214 3.747 3.960 0.001 0.000 0.217 164 G HA3 -0.214 3.747 3.960 0.001 0.000 0.217 164 G C 1.481 176.511 174.900 0.218 0.000 1.158 164 G CA 1.081 46.214 45.100 0.054 0.000 0.771 164 G HN 0.563 nan 8.290 nan 0.000 0.545 165 I N 1.274 121.941 120.570 0.160 0.000 2.676 165 I HA 0.032 4.203 4.170 0.001 0.000 0.259 165 I C 3.109 179.356 176.117 0.218 0.000 1.194 165 I CA 0.530 61.943 61.300 0.188 0.000 1.473 165 I CB -0.151 37.905 38.000 0.093 0.000 1.096 165 I HN 0.202 nan 8.210 nan 0.000 0.443 166 A N 1.013 123.941 122.820 0.181 0.000 1.845 166 A HA -0.126 4.194 4.320 0.001 0.000 0.215 166 A C 2.407 180.145 177.584 0.257 0.000 1.195 166 A CA 2.149 54.276 52.037 0.150 0.000 0.616 166 A CB -0.813 18.235 19.000 0.080 0.000 0.832 166 A HN 0.211 nan 8.150 nan 0.000 0.443 167 V N -2.040 118.079 119.914 0.341 0.000 2.436 167 V HA -0.029 4.092 4.120 0.001 0.000 0.240 167 V C 2.251 178.699 176.094 0.590 0.000 1.040 167 V CA 1.296 63.888 62.300 0.486 0.000 1.052 167 V CB -1.043 30.990 31.823 0.349 0.000 0.707 167 V HN 0.518 nan 8.190 nan 0.000 0.469 168 F N 1.804 121.951 119.950 0.327 0.000 2.095 168 F HA -0.104 4.423 4.527 0.001 0.000 0.298 168 F C 2.466 178.472 175.800 0.342 0.000 1.104 168 F CA 1.771 59.940 58.000 0.281 0.000 1.232 168 F CB -0.925 38.193 39.000 0.197 0.000 0.987 168 F HN 0.250 nan 8.300 nan 0.000 0.475 169 G N -1.367 107.732 108.800 0.498 0.000 2.470 169 G HA2 -0.309 3.651 3.960 0.001 0.000 0.220 169 G HA3 -0.309 3.651 3.960 0.001 0.000 0.220 169 G C 1.270 176.431 174.900 0.434 0.000 1.121 169 G CA 0.510 45.850 45.100 0.399 0.000 0.766 169 G HN 0.582 nan 8.290 nan 0.000 0.553 170 W N 0.231 121.686 121.300 0.259 0.000 2.467 170 W HA 0.239 4.900 4.660 0.001 0.000 0.275 170 W C 1.587 178.257 176.519 0.250 0.000 1.239 170 W CA 0.267 57.741 57.345 0.215 0.000 1.266 170 W CB -0.235 29.317 29.460 0.154 0.000 1.112 170 W HN 0.069 nan 8.180 nan 0.000 0.576 171 F N -1.115 118.708 119.950 -0.213 0.000 2.473 171 F HA 0.108 4.636 4.527 0.001 0.000 0.294 171 F C 1.888 177.639 175.800 -0.081 0.000 1.103 171 F CA 0.810 58.554 58.000 -0.427 0.000 1.442 171 F CB -0.442 38.288 39.000 -0.450 0.000 1.097 171 F HN -0.113 nan 8.300 nan 0.000 0.547 172 W N -0.074 121.322 121.300 0.159 0.000 1.174 172 W HA 0.039 4.700 4.660 0.001 0.000 0.282 172 W C 0.216 176.862 176.519 0.211 0.000 0.682 172 W CA -0.027 57.444 57.345 0.210 0.000 0.915 172 W CB -0.721 28.905 29.460 0.278 0.000 1.114 172 W HN -0.374 nan 8.180 nan 0.000 0.562 173 F N 2.644 123.073 119.950 0.799 0.000 2.623 173 F HA -0.101 4.427 4.527 0.001 0.000 0.386 173 F C 0.852 176.845 175.800 0.322 0.000 1.068 173 F CA 0.888 59.157 58.000 0.449 0.000 1.265 173 F CB 0.134 39.320 39.000 0.310 0.000 1.026 173 F HN 0.156 nan 8.300 nan 0.000 0.568 174 R N 2.479 123.124 120.500 0.242 0.000 2.448 174 R HA -0.155 4.186 4.340 0.001 0.000 0.336 174 R C 0.260 176.325 176.300 -0.391 0.000 1.038 174 R CA 0.368 56.430 56.100 -0.064 0.000 0.804 174 R CB -1.482 28.759 30.300 -0.099 0.000 2.350 174 R HN 1.083 nan 8.270 nan 0.000 0.484 175 G N 1.379 109.877 108.800 -0.503 0.000 3.858 175 G HA2 -0.061 3.899 3.960 0.001 0.000 0.114 175 G HA3 -0.061 3.899 3.960 0.001 0.000 0.114 175 G C 0.194 174.937 174.900 -0.260 0.000 1.120 175 G CA -0.126 44.842 45.100 -0.220 0.000 1.226 175 G HN 0.314 nan 8.290 nan 0.000 0.471 176 E N 1.162 121.231 120.200 -0.218 0.000 2.465 176 E HA 0.146 4.497 4.350 0.001 0.000 0.191 176 E C 1.901 178.390 176.600 -0.185 0.000 1.053 176 E CA 0.485 56.810 56.400 -0.125 0.000 0.869 176 E CB 0.348 30.008 29.700 -0.067 0.000 0.977 176 E HN 0.379 nan 8.360 nan 0.000 0.483 177 T N 0.353 114.673 114.554 -0.390 0.000 2.746 177 T HA -0.191 4.159 4.350 0.001 0.000 0.267 177 T C 1.471 176.087 174.700 -0.140 0.000 1.039 177 T CA 1.260 63.186 62.100 -0.289 0.000 1.142 177 T CB -0.357 68.314 68.868 -0.327 0.000 0.866 177 T HN 0.386 nan 8.240 nan 0.000 0.444 178 Y N 0.846 121.227 120.300 0.135 0.000 2.224 178 Y HA 0.011 4.562 4.550 0.000 0.000 0.289 178 Y C 2.648 178.656 175.900 0.179 0.000 1.146 178 Y CA 0.568 58.753 58.100 0.142 0.000 1.182 178 Y CB -0.611 37.929 38.460 0.132 0.000 0.983 178 Y HN 0.097 nan 8.280 nan 0.000 0.524 179 M N 0.406 120.172 119.600 0.276 0.000 2.296 179 M HA -0.141 4.339 4.480 0.001 0.000 0.265 179 M C 2.259 178.674 176.300 0.193 0.000 1.064 179 M CA 1.501 56.983 55.300 0.305 0.000 1.109 179 M CB -0.071 32.633 32.600 0.173 0.000 1.396 179 M HN 0.366 nan 8.290 nan 0.000 0.430 180 A N 0.042 122.922 122.820 0.100 0.000 1.897 180 A HA 0.017 4.337 4.320 0.001 0.000 0.215 180 A C 2.227 179.882 177.584 0.118 0.000 1.181 180 A CA 1.612 53.683 52.037 0.056 0.000 0.620 180 A CB -0.980 18.024 19.000 0.008 0.000 0.821 180 A HN 0.595 nan 8.150 nan 0.000 0.443 181 A N -2.603 120.313 122.820 0.160 0.000 2.014 181 A HA 0.208 4.529 4.320 0.001 0.000 0.218 181 A C 0.859 178.596 177.584 0.255 0.000 1.163 181 A CA 0.802 52.941 52.037 0.171 0.000 0.652 181 A CB -0.654 18.439 19.000 0.154 0.000 0.808 181 A HN 0.766 nan 8.150 nan 0.000 0.449 182 W N 0.012 121.342 121.300 0.051 0.000 2.732 182 W HA -0.314 4.346 4.660 0.000 0.000 0.222 182 W C 0.771 177.299 176.519 0.014 0.000 0.698 182 W CA 1.188 58.552 57.345 0.033 0.000 0.939 182 W CB -0.837 28.635 29.460 0.020 0.000 1.049 182 W HN 0.444 nan 8.180 nan 0.000 0.430 183 N N -0.155 118.435 118.700 -0.184 0.000 2.125 183 N HA 0.186 4.927 4.740 0.001 0.000 0.241 183 N C 0.562 176.071 175.510 -0.002 0.000 1.273 183 N CA 1.507 54.415 53.050 -0.236 0.000 0.947 183 N CB -1.147 37.032 38.487 -0.513 0.000 1.036 183 N HN 0.514 nan 8.380 nan 0.000 0.409 184 V N -1.048 118.868 119.914 0.004 0.000 3.859 184 V HA -0.337 3.784 4.120 0.001 0.000 0.548 184 V C 1.247 177.363 176.094 0.036 0.000 0.687 184 V CA 1.024 63.361 62.300 0.061 0.000 2.116 184 V CB -1.497 30.405 31.823 0.132 0.000 2.502 184 V HN 0.847 nan 8.190 nan 0.000 0.523 185 S N -1.720 114.005 115.700 0.042 0.000 1.616 185 S HA -0.226 4.244 4.470 0.001 0.000 0.237 185 S C 1.076 175.685 174.600 0.015 0.000 0.811 185 S CA 1.988 60.204 58.200 0.027 0.000 1.381 185 S CB -1.483 61.731 63.200 0.024 0.000 1.728 185 S HN 2.582 nan 8.310 nan 0.000 0.522 186 G N 1.285 110.089 108.800 0.006 0.000 2.554 186 G HA2 0.415 4.375 3.960 0.001 0.000 0.238 186 G HA3 0.415 4.375 3.960 0.001 0.000 0.238 186 G C 0.222 175.132 174.900 0.017 0.000 1.259 186 G CA -0.368 44.733 45.100 0.002 0.000 0.843 186 G HN 0.549 nan 8.290 nan 0.000 0.582 187 L N 2.000 123.235 121.223 0.020 0.000 2.919 187 L HA 0.364 4.705 4.340 0.001 0.000 0.242 187 L C 1.249 178.151 176.870 0.053 0.000 1.366 187 L CA 0.391 55.249 54.840 0.031 0.000 1.212 187 L CB -1.775 40.297 42.059 0.022 0.000 1.604 187 L HN 0.962 nan 8.230 nan 0.000 0.433 188 G N 0.007 108.842 108.800 0.058 0.000 2.663 188 G HA2 -0.239 3.721 3.960 0.001 0.000 0.686 188 G HA3 -0.239 3.721 3.960 0.001 0.000 0.686 188 G C 0.566 175.521 174.900 0.091 0.000 1.246 188 G CA -0.287 44.865 45.100 0.086 0.000 0.795 188 G HN 0.370 nan 8.290 nan 0.000 0.627 189 T N -1.242 113.372 114.554 0.099 0.000 2.652 189 T HA -0.087 4.264 4.350 0.001 0.000 0.267 189 T C 1.534 176.272 174.700 0.063 0.000 1.039 189 T CA 1.732 63.868 62.100 0.060 0.000 1.153 189 T CB -0.217 68.678 68.868 0.044 0.000 0.863 189 T HN 0.835 nan 8.240 nan 0.000 0.428 190 F N 3.289 123.263 119.950 0.041 0.000 2.447 190 F HA 0.368 4.895 4.527 0.001 0.000 0.339 190 F C 1.750 177.572 175.800 0.037 0.000 1.196 190 F CA 0.832 58.856 58.000 0.039 0.000 0.969 190 F CB -0.732 38.288 39.000 0.033 0.000 1.106 190 F HN 0.566 nan 8.300 nan 0.000 0.594 191 G N 1.742 110.630 108.800 0.147 0.000 2.213 191 G HA2 -0.333 3.628 3.960 0.001 0.000 0.236 191 G HA3 -0.333 3.628 3.960 0.001 0.000 0.236 191 G C 1.334 176.275 174.900 0.069 0.000 0.991 191 G CA 0.226 45.397 45.100 0.119 0.000 0.629 191 G HN 0.894 nan 8.290 nan 0.000 0.517 192 A N 0.351 123.207 122.820 0.059 0.000 1.917 192 A HA 0.134 4.455 4.320 0.001 0.000 0.219 192 A C 2.296 179.885 177.584 0.008 0.000 1.182 192 A CA 2.240 54.292 52.037 0.025 0.000 0.633 192 A CB -0.387 18.622 19.000 0.015 0.000 0.819 192 A HN 0.923 nan 8.150 nan 0.000 0.448 193 I N 0.065 120.648 120.570 0.023 0.000 2.194 193 I HA -0.346 3.824 4.170 0.001 0.000 0.246 193 I C 2.648 178.771 176.117 0.011 0.000 1.093 193 I CA 1.739 63.051 61.300 0.020 0.000 1.355 193 I CB -0.470 37.551 38.000 0.034 0.000 1.046 193 I HN 0.411 nan 8.210 nan 0.000 0.413 194 Q N -0.078 119.747 119.800 0.042 0.000 2.173 194 Q HA -0.280 4.060 4.340 0.001 0.000 0.208 194 Q C 2.386 178.368 176.000 -0.030 0.000 0.989 194 Q CA 2.286 58.109 55.803 0.033 0.000 0.872 194 Q CB -0.408 28.347 28.738 0.027 0.000 0.909 194 Q HN 0.720 nan 8.270 nan 0.000 0.420 195 S N -0.587 115.090 115.700 -0.038 0.000 2.447 195 S HA -0.108 4.362 4.470 0.001 0.000 0.233 195 S C 1.838 176.387 174.600 -0.085 0.000 1.006 195 S CA 1.449 59.614 58.200 -0.058 0.000 0.957 195 S CB -0.280 62.894 63.200 -0.044 0.000 0.773 195 S HN 0.445 nan 8.310 nan 0.000 0.507 196 T N 0.867 115.358 114.554 -0.106 0.000 2.988 196 T HA 0.314 4.665 4.350 0.001 0.000 0.240 196 T C 1.824 176.385 174.700 -0.232 0.000 1.014 196 T CA 0.226 62.210 62.100 -0.193 0.000 1.155 196 T CB -0.710 68.022 68.868 -0.227 0.000 0.872 196 T HN 0.240 nan 8.240 nan 0.000 0.440 197 L N 1.753 122.886 121.223 -0.151 0.000 2.043 197 L HA -0.131 4.209 4.340 0.001 0.000 0.212 197 L C 2.542 179.353 176.870 -0.098 0.000 1.075 197 L CA 1.542 56.317 54.840 -0.108 0.000 0.752 197 L CB -0.663 41.412 42.059 0.025 0.000 0.891 197 L HN 0.309 nan 8.230 nan 0.000 0.432 198 N N -0.760 117.879 118.700 -0.103 0.000 2.609 198 N HA -0.100 4.640 4.740 0.001 0.000 0.190 198 N C 0.747 176.173 175.510 -0.140 0.000 1.157 198 N CA 0.686 53.643 53.050 -0.156 0.000 0.918 198 N CB 0.309 38.687 38.487 -0.181 0.000 0.978 198 N HN 0.145 nan 8.380 nan 0.000 0.448 199 V N -1.944 117.931 119.914 -0.066 0.000 3.392 199 V HA 0.117 4.237 4.120 0.001 0.000 0.294 199 V C 1.181 177.222 176.094 -0.088 0.000 1.561 199 V CA 0.746 63.086 62.300 0.067 0.000 1.056 199 V CB 0.460 32.304 31.823 0.036 0.000 0.882 199 V HN 0.351 nan 8.190 nan 0.000 0.440 200 T N -2.271 112.131 114.554 -0.253 0.000 3.001 200 T HA 0.243 4.593 4.350 0.001 0.000 0.251 200 T C 1.380 175.994 174.700 -0.143 0.000 1.040 200 T CA 0.249 62.076 62.100 -0.455 0.000 0.985 200 T CB 0.676 68.997 68.868 -0.912 0.000 1.011 200 T HN 0.156 nan 8.240 nan 0.000 0.509 201 L N 1.615 122.822 121.223 -0.027 0.000 2.042 201 L HA 0.284 4.625 4.340 0.001 0.000 0.204 201 L C 2.134 179.068 176.870 0.106 0.000 1.130 201 L CA 1.178 56.006 54.840 -0.020 0.000 0.779 201 L CB -1.028 40.956 42.059 -0.125 0.000 0.918 201 L HN 0.597 nan 8.230 nan 0.000 0.450 202 W N 0.026 121.230 121.300 -0.161 0.000 2.782 202 W HA -0.037 4.624 4.660 0.001 0.000 0.248 202 W C 1.068 177.527 176.519 -0.101 0.000 1.265 202 W CA 0.825 58.090 57.345 -0.132 0.000 1.316 202 W CB -1.760 27.618 29.460 -0.136 0.000 1.140 202 W HN 0.491 nan 8.180 nan 0.000 0.665 203 S N -1.797 113.852 115.700 -0.084 0.000 2.749 203 S HA 0.177 4.647 4.470 0.001 0.000 0.246 203 S C 0.632 175.218 174.600 -0.024 0.000 1.023 203 S CA -0.447 57.608 58.200 -0.242 0.000 1.012 203 S CB -1.031 61.986 63.200 -0.304 0.000 0.942 203 S HN 0.019 nan 8.310 nan 0.000 0.531 204 F N 2.078 122.066 119.950 0.063 0.000 2.721 204 F HA 0.533 5.060 4.527 0.001 0.000 0.301 204 F C 0.607 176.515 175.800 0.180 0.000 1.096 204 F CA -2.002 56.124 58.000 0.211 0.000 1.308 204 F CB -0.074 39.121 39.000 0.325 0.000 1.086 204 F HN 0.176 nan 8.300 nan 0.000 0.587 205 I N 0.836 121.593 120.570 0.311 0.000 3.148 205 I HA -0.092 4.079 4.170 0.001 0.000 0.317 205 I C 1.328 177.666 176.117 0.369 0.000 1.237 205 I CA 1.830 63.282 61.300 0.252 0.000 1.423 205 I CB -0.392 37.684 38.000 0.126 0.000 1.352 205 I HN 0.455 nan 8.210 nan 0.000 0.526 206 G N 3.654 112.705 108.800 0.417 0.000 3.617 206 G HA2 -0.181 3.779 3.960 0.001 0.000 0.217 206 G HA3 -0.181 3.779 3.960 0.001 0.000 0.217 206 G C 0.759 175.791 174.900 0.220 0.000 0.967 206 G CA 0.038 45.346 45.100 0.346 0.000 0.878 206 G HN 0.501 nan 8.290 nan 0.000 0.439 207 V N 1.367 121.388 119.914 0.179 0.000 2.613 207 V HA -0.243 3.877 4.120 0.001 0.000 0.259 207 V C 2.493 178.566 176.094 -0.035 0.000 1.099 207 V CA 2.851 65.161 62.300 0.017 0.000 1.115 207 V CB -1.068 30.675 31.823 -0.132 0.000 0.686 207 V HN 0.785 nan 8.190 nan 0.000 0.481 208 E N 2.637 122.799 120.200 -0.064 0.000 2.058 208 E HA -0.259 4.092 4.350 0.001 0.000 0.194 208 E C 2.183 178.858 176.600 0.124 0.000 0.997 208 E CA 1.865 58.312 56.400 0.078 0.000 0.801 208 E CB -0.908 28.844 29.700 0.086 0.000 0.746 208 E HN 0.742 nan 8.360 nan 0.000 0.450 209 S N 2.168 117.907 115.700 0.064 0.000 2.409 209 S HA -0.310 4.160 4.470 0.001 0.000 0.237 209 S C 2.281 176.902 174.600 0.035 0.000 1.060 209 S CA 1.542 59.755 58.200 0.022 0.000 1.052 209 S CB -0.725 62.483 63.200 0.012 0.000 0.871 209 S HN 0.533 nan 8.310 nan 0.000 0.465 210 A N 1.681 124.538 122.820 0.061 0.000 1.841 210 A HA -0.008 4.312 4.320 0.001 0.000 0.214 210 A C 2.277 179.886 177.584 0.042 0.000 1.195 210 A CA 1.845 53.912 52.037 0.050 0.000 0.611 210 A CB -1.285 17.750 19.000 0.059 0.000 0.835 210 A HN 0.593 nan 8.150 nan 0.000 0.443 211 S N -0.866 114.877 115.700 0.071 0.000 2.727 211 S HA 0.086 4.556 4.470 0.001 0.000 0.226 211 S C 0.914 175.524 174.600 0.016 0.000 0.963 211 S CA 0.937 59.158 58.200 0.035 0.000 0.950 211 S CB -0.354 62.823 63.200 -0.038 0.000 0.779 211 S HN 0.239 nan 8.310 nan 0.000 0.532 212 V N 0.283 120.203 119.914 0.010 0.000 3.604 212 V HA 0.385 4.506 4.120 0.001 0.000 0.277 212 V C 2.197 178.271 176.094 -0.033 0.000 1.399 212 V CA 0.627 62.906 62.300 -0.034 0.000 1.034 212 V CB 0.044 31.831 31.823 -0.061 0.000 0.824 212 V HN 0.508 nan 8.190 nan 0.000 0.439 213 A N 0.358 123.168 122.820 -0.016 0.000 1.878 213 A HA 0.301 4.621 4.320 0.001 0.000 0.213 213 A C 2.299 179.870 177.584 -0.023 0.000 1.192 213 A CA 1.717 53.744 52.037 -0.016 0.000 0.619 213 A CB -0.552 18.444 19.000 -0.007 0.000 0.837 213 A HN 0.779 nan 8.150 nan 0.000 0.446 214 A N -0.907 121.897 122.820 -0.027 0.000 2.710 214 A HA -0.376 3.944 4.320 0.001 0.000 0.309 214 A C 2.650 180.213 177.584 -0.035 0.000 4.150 214 A CA 3.295 55.308 52.037 -0.040 0.000 0.983 214 A CB -2.129 16.834 19.000 -0.062 0.000 0.655 214 A HN 1.719 nan 8.150 nan 0.000 0.407 215 G N -2.178 106.601 108.800 -0.035 0.000 2.743 215 G HA2 0.031 3.991 3.960 0.001 0.000 0.222 215 G HA3 0.031 3.991 3.960 0.001 0.000 0.222 215 G C 0.802 175.695 174.900 -0.011 0.000 1.085 215 G CA 1.924 47.010 45.100 -0.023 0.000 0.716 215 G HN 1.519 nan 8.290 nan 0.000 0.604 216 V N -0.253 119.654 119.914 -0.013 0.000 3.293 216 V HA 0.203 4.323 4.120 0.001 0.000 0.381 216 V C 0.011 176.095 176.094 -0.016 0.000 1.465 216 V CA -0.520 61.775 62.300 -0.009 0.000 1.331 216 V CB 0.772 32.592 31.823 -0.005 0.000 1.160 216 V HN 0.056 nan 8.190 nan 0.000 0.565 217 V N -0.265 119.638 119.914 -0.018 0.000 2.973 217 V HA 0.398 4.518 4.120 0.001 0.000 0.314 217 V C 1.342 177.424 176.094 -0.020 0.000 1.066 217 V CA -0.581 61.708 62.300 -0.018 0.000 1.021 217 V CB 1.950 33.763 31.823 -0.017 0.000 1.076 217 V HN 0.305 nan 8.190 nan 0.000 0.462 218 K N 0.914 121.302 120.400 -0.019 0.000 2.094 218 K HA -0.049 4.272 4.320 0.001 0.000 0.220 218 K C 0.519 177.103 176.600 -0.027 0.000 0.919 218 K CA 1.046 57.321 56.287 -0.019 0.000 1.034 218 K CB -0.182 32.308 32.500 -0.017 0.000 0.810 218 K HN 0.674 nan 8.250 nan 0.000 0.603 219 N N 1.773 120.454 118.700 -0.032 0.000 2.401 219 N HA 0.046 4.786 4.740 0.001 0.000 0.255 219 N C -2.180 173.297 175.510 -0.055 0.000 1.110 219 N CA -1.029 51.993 53.050 -0.047 0.000 0.949 219 N CB 1.392 39.849 38.487 -0.050 0.000 1.110 219 N HN 0.165 nan 8.380 nan 0.000 0.490 220 P HA -0.172 nan 4.420 nan 0.000 0.210 220 P C 1.033 178.277 177.300 -0.094 0.000 1.185 220 P CA 1.333 64.391 63.100 -0.069 0.000 0.924 220 P CB 0.268 31.922 31.700 -0.077 0.000 0.786 221 K N -0.664 119.650 120.400 -0.144 0.000 2.293 221 K HA -0.194 4.127 4.320 0.001 0.000 0.204 221 K C 2.051 178.497 176.600 -0.257 0.000 1.045 221 K CA 1.367 57.506 56.287 -0.246 0.000 0.933 221 K CB -0.138 32.173 32.500 -0.314 0.000 0.736 221 K HN 0.206 nan 8.250 nan 0.000 0.463 222 R N -0.864 119.550 120.500 -0.143 0.000 2.098 222 R HA 0.098 4.438 4.340 0.001 0.000 0.203 222 R C 1.848 178.134 176.300 -0.023 0.000 1.166 222 R CA 0.179 56.231 56.100 -0.080 0.000 1.090 222 R CB -0.297 29.965 30.300 -0.064 0.000 0.992 222 R HN 0.054 nan 8.270 nan 0.000 0.477 223 N N 1.079 119.763 118.700 -0.026 0.000 2.120 223 N HA -0.107 4.633 4.740 0.001 0.000 0.188 223 N C 1.885 177.398 175.510 0.005 0.000 1.024 223 N CA 1.022 54.067 53.050 -0.007 0.000 0.852 223 N CB -0.281 38.199 38.487 -0.013 0.000 1.003 223 N HN -0.051 nan 8.380 nan 0.000 0.424 224 V N 1.656 121.569 119.914 -0.001 0.000 2.307 224 V HA -0.112 4.008 4.120 0.001 0.000 0.245 224 V C -0.800 175.316 176.094 0.037 0.000 1.045 224 V CA 1.618 63.926 62.300 0.014 0.000 1.024 224 V CB -1.122 30.703 31.823 0.004 0.000 0.651 224 V HN 0.230 nan 8.190 nan 0.000 0.449 225 P HA -0.120 nan 4.420 nan 0.000 0.216 225 P C 1.785 179.126 177.300 0.068 0.000 1.153 225 P CA 1.556 64.707 63.100 0.085 0.000 0.848 225 P CB -0.072 31.730 31.700 0.170 0.000 0.787 226 I N -0.861 119.746 120.570 0.062 0.000 2.335 226 I HA -0.258 3.912 4.170 0.001 0.000 0.251 226 I C 2.292 178.432 176.117 0.037 0.000 1.129 226 I CA 1.372 62.701 61.300 0.047 0.000 1.402 226 I CB -0.849 37.175 38.000 0.040 0.000 1.069 226 I HN -0.077 nan 8.210 nan 0.000 0.424 227 A N 1.157 123.998 122.820 0.035 0.000 1.855 227 A HA -0.235 4.085 4.320 0.001 0.000 0.215 227 A C 2.527 180.135 177.584 0.040 0.000 1.191 227 A CA 2.569 54.626 52.037 0.033 0.000 0.613 227 A CB -1.236 17.782 19.000 0.030 0.000 0.829 227 A HN 0.502 nan 8.150 nan 0.000 0.442 228 T N -1.596 112.986 114.554 0.047 0.000 2.777 228 T HA -0.061 4.290 4.350 0.001 0.000 0.266 228 T C 1.846 176.564 174.700 0.030 0.000 1.040 228 T CA 1.515 63.643 62.100 0.046 0.000 1.141 228 T CB -0.564 68.338 68.868 0.057 0.000 0.868 228 T HN 0.299 nan 8.240 nan 0.000 0.444 229 I N 1.688 122.274 120.570 0.027 0.000 2.286 229 I HA 0.014 4.185 4.170 0.001 0.000 0.248 229 I C 3.008 179.140 176.117 0.025 0.000 1.115 229 I CA 1.220 62.530 61.300 0.017 0.000 1.392 229 I CB -0.776 37.236 38.000 0.019 0.000 1.065 229 I HN 0.476 nan 8.210 nan 0.000 0.418 230 G N 0.512 109.330 108.800 0.029 0.000 2.433 230 G HA2 -0.206 3.754 3.960 0.001 0.000 0.216 230 G HA3 -0.206 3.754 3.960 0.001 0.000 0.216 230 G C 1.735 176.656 174.900 0.034 0.000 1.186 230 G CA 0.824 45.941 45.100 0.028 0.000 0.779 230 G HN 0.483 nan 8.290 nan 0.000 0.543 231 G N 0.160 108.986 108.800 0.042 0.000 2.440 231 G HA2 -0.139 3.821 3.960 0.001 0.000 0.218 231 G HA3 -0.139 3.821 3.960 0.001 0.000 0.218 231 G C 1.763 176.718 174.900 0.091 0.000 1.154 231 G CA 1.298 46.432 45.100 0.057 0.000 0.767 231 G HN 0.347 nan 8.290 nan 0.000 0.552 232 V N 0.718 120.690 119.914 0.097 0.000 2.323 232 V HA -0.033 4.087 4.120 0.001 0.000 0.244 232 V C 2.895 179.090 176.094 0.169 0.000 1.041 232 V CA 1.256 63.650 62.300 0.156 0.000 1.025 232 V CB -0.387 31.441 31.823 0.008 0.000 0.656 232 V HN 0.330 nan 8.190 nan 0.000 0.451 233 L N -0.686 120.589 121.223 0.086 0.000 2.079 233 L HA -0.205 4.135 4.340 0.001 0.000 0.210 233 L C 2.350 179.252 176.870 0.052 0.000 1.081 233 L CA 1.559 56.442 54.840 0.072 0.000 0.752 233 L CB -0.493 41.589 42.059 0.038 0.000 0.896 233 L HN 0.276 nan 8.230 nan 0.000 0.433 234 I N -0.087 120.503 120.570 0.033 0.000 2.090 234 I HA -0.327 3.844 4.170 0.001 0.000 0.236 234 I C 2.756 178.833 176.117 -0.067 0.000 1.064 234 I CA 1.497 62.790 61.300 -0.011 0.000 1.324 234 I CB -0.365 37.628 38.000 -0.011 0.000 1.044 234 I HN 0.228 nan 8.210 nan 0.000 0.399 235 A N 0.452 123.222 122.820 -0.082 0.000 1.972 235 A HA -0.161 4.159 4.320 0.001 0.000 0.219 235 A C 2.433 179.767 177.584 -0.417 0.000 1.169 235 A CA 1.782 53.620 52.037 -0.332 0.000 0.635 235 A CB -0.721 18.087 19.000 -0.320 0.000 0.810 235 A HN 0.520 nan 8.150 nan 0.000 0.446 236 A N -0.657 122.168 122.820 0.009 0.000 1.845 236 A HA -0.032 4.288 4.320 0.001 0.000 0.215 236 A C 2.202 179.807 177.584 0.034 0.000 1.195 236 A CA 1.788 53.948 52.037 0.204 0.000 0.616 236 A CB -1.093 18.115 19.000 0.345 0.000 0.832 236 A HN 0.414 nan 8.150 nan 0.000 0.443 237 V N -0.778 119.128 119.914 -0.013 0.000 2.515 237 V HA -0.280 3.841 4.120 0.001 0.000 0.250 237 V C 2.646 178.665 176.094 -0.124 0.000 1.058 237 V CA 1.735 63.997 62.300 -0.065 0.000 1.064 237 V CB -0.909 30.886 31.823 -0.046 0.000 0.675 237 V HN 0.738 nan 8.190 nan 0.000 0.461 238 C N -0.877 118.329 119.300 -0.158 0.000 2.388 238 C HA -0.260 4.200 4.460 0.001 0.000 0.277 238 C C 2.440 177.303 174.990 -0.213 0.000 1.210 238 C CA 1.478 60.377 59.018 -0.199 0.000 1.743 238 C CB -1.115 26.450 27.740 -0.291 0.000 2.047 238 C HN 0.619 nan 8.230 nan 0.000 0.458 239 Y N -0.003 120.124 120.300 -0.288 0.000 2.081 239 Y HA -0.276 4.274 4.550 0.001 0.000 0.280 239 Y C 2.625 178.005 175.900 -0.867 0.000 1.163 239 Y CA 1.570 59.333 58.100 -0.561 0.000 1.135 239 Y CB -0.542 37.535 38.460 -0.639 0.000 0.970 239 Y HN 0.145 nan 8.280 nan 0.000 0.498 240 V N 0.254 119.816 119.914 -0.586 0.000 2.270 240 V HA -0.314 3.806 4.120 0.001 0.000 0.245 240 V C 2.180 178.051 176.094 -0.371 0.000 1.043 240 V CA 1.752 63.679 62.300 -0.621 0.000 1.014 240 V CB -0.674 30.942 31.823 -0.345 0.000 0.645 240 V HN 0.397 nan 8.190 nan 0.000 0.447 241 L N 0.608 121.695 121.223 -0.227 0.000 2.201 241 L HA -0.141 4.199 4.340 0.001 0.000 0.212 241 L C 2.693 179.492 176.870 -0.118 0.000 1.105 241 L CA 1.658 56.416 54.840 -0.137 0.000 0.775 241 L CB -0.529 41.484 42.059 -0.077 0.000 0.913 241 L HN 0.590 nan 8.230 nan 0.000 0.440 242 S N -1.242 114.374 115.700 -0.140 0.000 2.345 242 S HA -0.162 4.308 4.470 0.001 0.000 0.219 242 S C 1.840 176.363 174.600 -0.128 0.000 1.031 242 S CA 1.255 59.395 58.200 -0.099 0.000 0.984 242 S CB -0.869 62.292 63.200 -0.066 0.000 0.874 242 S HN 0.486 nan 8.310 nan 0.000 0.451 243 T N 0.124 114.569 114.554 -0.182 0.000 3.272 243 T HA 0.180 4.530 4.350 0.001 0.000 0.250 243 T C 1.185 175.791 174.700 -0.158 0.000 1.082 243 T CA 0.588 62.611 62.100 -0.128 0.000 0.968 243 T CB -0.632 68.241 68.868 0.008 0.000 1.015 243 T HN 0.599 nan 8.240 nan 0.000 0.563 244 T N -1.811 112.613 114.554 -0.217 0.000 3.086 244 T HA 0.481 4.831 4.350 0.001 0.000 0.250 244 T C 1.303 175.784 174.700 -0.366 0.000 1.074 244 T CA 0.104 62.054 62.100 -0.251 0.000 0.988 244 T CB -0.052 68.679 68.868 -0.229 0.000 0.988 244 T HN 0.436 nan 8.240 nan 0.000 0.530 245 A N 1.648 124.324 122.820 -0.239 0.000 3.074 245 A HA 0.572 4.892 4.320 0.001 0.000 0.251 245 A C 0.293 177.799 177.584 -0.130 0.000 1.695 245 A CA -0.417 51.501 52.037 -0.198 0.000 1.343 245 A CB -1.153 17.779 19.000 -0.113 0.000 1.078 245 A HN 0.713 nan 8.150 nan 0.000 0.644 246 I N 2.232 122.715 120.570 -0.145 0.000 2.502 246 I HA 0.186 4.356 4.170 0.001 0.000 0.276 246 I C 1.074 177.416 176.117 0.375 0.000 1.057 246 I CA -0.587 60.742 61.300 0.048 0.000 1.163 246 I CB 0.896 38.898 38.000 0.003 0.000 1.288 246 I HN 0.663 nan 8.210 nan 0.000 0.479 247 M N 4.561 124.423 119.600 0.436 0.000 2.257 247 M HA 0.412 4.892 4.480 0.001 0.000 0.260 247 M C 0.998 177.445 176.300 0.245 0.000 1.102 247 M CA 2.058 57.653 55.300 0.492 0.000 1.169 247 M CB -0.183 32.714 32.600 0.495 0.000 1.323 247 M HN 0.437 nan 8.290 nan 0.000 0.447 248 G N -0.273 108.625 108.800 0.165 0.000 3.755 248 G HA2 0.185 4.146 3.960 0.001 0.000 0.180 248 G HA3 0.185 4.146 3.960 0.001 0.000 0.180 248 G C 0.440 175.383 174.900 0.071 0.000 1.374 248 G CA -0.419 44.746 45.100 0.109 0.000 0.860 248 G HN 0.198 nan 8.290 nan 0.000 0.743 249 M N 1.204 120.838 119.600 0.057 0.000 2.216 249 M HA 0.142 4.622 4.480 0.001 0.000 0.317 249 M C 1.084 177.395 176.300 0.019 0.000 1.015 249 M CA 0.987 56.303 55.300 0.026 0.000 1.045 249 M CB 0.407 33.006 32.600 -0.002 0.000 1.538 249 M HN 0.240 nan 8.290 nan 0.000 0.440 250 I N 0.053 120.629 120.570 0.010 0.000 4.881 250 I HA 0.134 4.304 4.170 0.001 0.000 0.319 250 I C -1.859 174.257 176.117 -0.001 0.000 1.205 250 I CA -0.141 61.164 61.300 0.007 0.000 1.368 250 I CB -1.552 36.457 38.000 0.015 0.000 1.484 250 I HN 0.314 nan 8.210 nan 0.000 0.486 251 P HA 0.061 nan 4.420 nan 0.000 0.261 251 P C -0.530 176.764 177.300 -0.010 0.000 1.173 251 P CA 1.080 64.178 63.100 -0.003 0.000 0.760 251 P CB 0.363 32.062 31.700 -0.001 0.000 0.783 274 A N 1.817 124.676 122.820 0.064 0.000 2.263 274 A HA 0.564 4.884 4.320 0.001 0.000 0.205 274 A C 2.104 179.740 177.584 0.086 0.000 1.226 274 A CA 1.223 53.300 52.037 0.066 0.000 0.810 274 A CB -1.425 17.608 19.000 0.055 0.000 0.784 274 A HN 0.860 nan 8.150 nan 0.000 0.486 275 G N -0.186 108.676 108.800 0.102 0.000 2.432 275 G HA2 -0.031 3.930 3.960 0.001 0.000 0.219 275 G HA3 -0.031 3.930 3.960 0.001 0.000 0.219 275 G C 1.640 176.652 174.900 0.186 0.000 1.135 275 G CA 1.045 46.223 45.100 0.129 0.000 0.767 275 G HN 0.726 nan 8.290 nan 0.000 0.550 276 A N 0.873 123.852 122.820 0.264 0.000 1.940 276 A HA 0.009 4.330 4.320 0.001 0.000 0.219 276 A C 2.367 180.060 177.584 0.181 0.000 1.176 276 A CA 1.251 53.561 52.037 0.454 0.000 0.631 276 A CB -0.322 18.924 19.000 0.411 0.000 0.814 276 A HN 0.400 nan 8.150 nan 0.000 0.446 277 I N -0.704 119.938 120.570 0.119 0.000 2.226 277 I HA -0.191 3.980 4.170 0.001 0.000 0.245 277 I C 2.240 178.406 176.117 0.082 0.000 1.100 277 I CA 1.030 62.393 61.300 0.105 0.000 1.374 277 I CB -0.329 37.712 38.000 0.067 0.000 1.057 277 I HN 0.146 nan 8.210 nan 0.000 0.413 278 V N 0.934 120.862 119.914 0.024 0.000 2.667 278 V HA -0.197 3.924 4.120 0.001 0.000 0.252 278 V C 2.469 178.394 176.094 -0.282 0.000 1.065 278 V CA 2.121 64.387 62.300 -0.056 0.000 1.083 278 V CB -0.335 31.512 31.823 0.040 0.000 0.692 278 V HN 0.546 nan 8.190 nan 0.000 0.468 279 S N -0.460 115.068 115.700 -0.288 0.000 2.446 279 S HA -0.091 4.379 4.470 0.001 0.000 0.225 279 S C 1.810 176.143 174.600 -0.445 0.000 1.016 279 S CA 0.917 58.797 58.200 -0.534 0.000 0.943 279 S CB -0.482 62.264 63.200 -0.758 0.000 0.786 279 S HN 0.589 nan 8.310 nan 0.000 0.508 280 F N 2.098 121.806 119.950 -0.403 0.000 2.149 280 F HA 0.082 4.610 4.527 0.001 0.000 0.294 280 F C 2.122 177.826 175.800 -0.159 0.000 1.095 280 F CA 0.515 58.367 58.000 -0.246 0.000 1.276 280 F CB -0.781 38.132 39.000 -0.146 0.000 1.023 280 F HN 0.214 nan 8.300 nan 0.000 0.480 281 C N 1.074 120.215 119.300 -0.266 0.000 2.422 281 C HA 0.024 4.484 4.460 0.001 0.000 0.286 281 C C 3.050 177.846 174.990 -0.323 0.000 1.412 281 C CA 0.962 59.775 59.018 -0.341 0.000 1.786 281 C CB -2.079 25.617 27.740 -0.073 0.000 1.835 281 C HN 0.664 nan 8.230 nan 0.000 0.533 282 A N 0.348 122.989 122.820 -0.297 0.000 1.878 282 A HA 0.250 4.571 4.320 0.001 0.000 0.213 282 A C 2.363 179.797 177.584 -0.250 0.000 1.192 282 A CA 1.451 53.376 52.037 -0.186 0.000 0.619 282 A CB -0.847 18.075 19.000 -0.129 0.000 0.837 282 A HN 0.494 nan 8.150 nan 0.000 0.446 283 A N 0.007 122.724 122.820 -0.171 0.000 1.972 283 A HA 0.193 4.513 4.320 0.001 0.000 0.219 283 A C 2.323 179.703 177.584 -0.339 0.000 1.169 283 A CA 1.778 53.660 52.037 -0.259 0.000 0.635 283 A CB -0.824 18.121 19.000 -0.092 0.000 0.810 283 A HN 1.056 nan 8.150 nan 0.000 0.446 284 A N -0.607 121.930 122.820 -0.471 0.000 2.172 284 A HA 0.205 4.525 4.320 0.001 0.000 0.216 284 A C 2.149 179.563 177.584 -0.285 0.000 1.154 284 A CA 1.512 53.286 52.037 -0.439 0.000 0.701 284 A CB -0.934 17.665 19.000 -0.669 0.000 0.789 284 A HN 0.637 nan 8.150 nan 0.000 0.465 285 G N -1.264 107.362 108.800 -0.290 0.000 2.408 285 G HA2 -0.140 3.820 3.960 0.001 0.000 0.215 285 G HA3 -0.140 3.820 3.960 0.001 0.000 0.215 285 G C 1.280 176.016 174.900 -0.273 0.000 1.156 285 G CA 1.195 46.147 45.100 -0.246 0.000 0.793 285 G HN 0.507 nan 8.290 nan 0.000 0.535 286 C N 0.461 119.566 119.300 -0.326 0.000 2.576 286 C HA 0.342 4.803 4.460 0.001 0.000 0.267 286 C C 2.447 177.294 174.990 -0.239 0.000 1.364 286 C CA -0.276 58.554 59.018 -0.314 0.000 1.723 286 C CB -1.260 26.274 27.740 -0.344 0.000 1.778 286 C HN 0.467 nan 8.230 nan 0.000 0.572 287 L N 0.677 121.792 121.223 -0.180 0.000 2.127 287 L HA 0.130 4.470 4.340 0.001 0.000 0.203 287 L C 2.429 179.183 176.870 -0.194 0.000 1.080 287 L CA 1.758 56.584 54.840 -0.023 0.000 0.768 287 L CB -0.439 41.617 42.059 -0.006 0.000 0.924 287 L HN 0.403 nan 8.230 nan 0.000 0.444 288 G N -1.896 106.778 108.800 -0.209 0.000 2.441 288 G HA2 -0.185 3.775 3.960 0.001 0.000 0.212 288 G HA3 -0.185 3.775 3.960 0.001 0.000 0.212 288 G C 1.603 176.339 174.900 -0.274 0.000 1.164 288 G CA 0.620 45.601 45.100 -0.198 0.000 0.811 288 G HN 0.366 nan 8.290 nan 0.000 0.535 289 S N 0.185 115.726 115.700 -0.264 0.000 2.369 289 S HA -0.138 4.332 4.470 0.001 0.000 0.225 289 S C 2.329 176.763 174.600 -0.278 0.000 1.043 289 S CA 1.279 59.350 58.200 -0.214 0.000 1.074 289 S CB -0.454 62.588 63.200 -0.264 0.000 0.962 289 S HN 0.145 nan 8.310 nan 0.000 0.433 290 L N 1.094 122.007 121.223 -0.517 0.000 2.021 290 L HA -0.159 4.182 4.340 0.001 0.000 0.215 290 L C 2.630 179.212 176.870 -0.479 0.000 1.074 290 L CA 2.347 56.847 54.840 -0.566 0.000 0.760 290 L CB -1.897 39.655 42.059 -0.846 0.000 0.889 290 L HN 0.595 nan 8.230 nan 0.000 0.433 291 G N -1.164 107.177 108.800 -0.764 0.000 2.446 291 G HA2 -0.245 3.715 3.960 0.001 0.000 0.217 291 G HA3 -0.245 3.715 3.960 0.001 0.000 0.217 291 G C 1.543 176.419 174.900 -0.039 0.000 1.168 291 G CA 0.813 45.782 45.100 -0.219 0.000 0.771 291 G HN 0.536 nan 8.290 nan 0.000 0.551 292 G N -0.211 108.567 108.800 -0.037 0.000 2.476 292 G HA2 -0.238 3.723 3.960 0.001 0.000 0.218 292 G HA3 -0.238 3.723 3.960 0.001 0.000 0.218 292 G C 1.595 176.573 174.900 0.129 0.000 1.164 292 G CA 0.978 46.117 45.100 0.065 0.000 0.768 292 G HN 0.448 nan 8.290 nan 0.000 0.560 293 W N 1.450 122.704 121.300 -0.077 0.000 2.418 293 W HA 0.034 4.695 4.660 0.000 0.000 0.292 293 W C 3.209 179.728 176.519 -0.000 0.000 1.213 293 W CA 1.998 59.321 57.345 -0.036 0.000 1.283 293 W CB -0.801 28.608 29.460 -0.085 0.000 1.119 293 W HN 0.294 nan 8.180 nan 0.000 0.542 294 T N -1.265 113.400 114.554 0.186 0.000 2.759 294 T HA -0.282 4.068 4.350 0.001 0.000 0.269 294 T C 1.965 176.728 174.700 0.104 0.000 1.042 294 T CA 1.473 63.651 62.100 0.129 0.000 1.140 294 T CB -0.877 68.053 68.868 0.103 0.000 0.864 294 T HN 0.207 nan 8.240 nan 0.000 0.455 295 L N 0.265 121.538 121.223 0.083 0.000 1.989 295 L HA -0.049 4.291 4.340 0.001 0.000 0.211 295 L C 2.677 179.574 176.870 0.045 0.000 1.071 295 L CA 1.634 56.507 54.840 0.056 0.000 0.749 295 L CB -0.485 41.597 42.059 0.039 0.000 0.890 295 L HN 0.272 nan 8.230 nan 0.000 0.431 296 L N -0.214 121.016 121.223 0.012 0.000 2.187 296 L HA -0.204 4.137 4.340 0.001 0.000 0.213 296 L C 2.828 179.769 176.870 0.118 0.000 1.100 296 L CA 1.506 56.342 54.840 -0.007 0.000 0.765 296 L CB -1.465 40.482 42.059 -0.187 0.000 0.904 296 L HN 0.401 nan 8.230 nan 0.000 0.437 297 A N 0.292 123.210 122.820 0.164 0.000 1.873 297 A HA -0.074 4.247 4.320 0.001 0.000 0.215 297 A C 2.430 180.228 177.584 0.356 0.000 1.186 297 A CA 1.595 53.839 52.037 0.345 0.000 0.616 297 A CB -1.043 18.099 19.000 0.236 0.000 0.823 297 A HN 0.404 nan 8.150 nan 0.000 0.442 298 G N -1.375 107.515 108.800 0.150 0.000 2.422 298 G HA2 -0.139 3.822 3.960 0.001 0.000 0.218 298 G HA3 -0.139 3.822 3.960 0.001 0.000 0.218 298 G C 1.611 176.506 174.900 -0.008 0.000 1.140 298 G CA 0.921 46.037 45.100 0.026 0.000 0.775 298 G HN 0.425 nan 8.290 nan 0.000 0.545 299 Q N 0.505 120.317 119.800 0.020 0.000 1.916 299 Q HA -0.047 4.293 4.340 0.001 0.000 0.203 299 Q C 2.090 178.054 176.000 -0.060 0.000 0.983 299 Q CA 1.287 57.081 55.803 -0.015 0.000 0.846 299 Q CB -1.129 27.600 28.738 -0.015 0.000 0.909 299 Q HN 0.320 nan 8.270 nan 0.000 0.427 300 T N 1.004 115.516 114.554 -0.070 0.000 3.722 300 T HA 0.303 4.653 4.350 0.001 0.000 0.247 300 T C 0.595 175.133 174.700 -0.270 0.000 1.004 300 T CA 0.519 62.504 62.100 -0.193 0.000 0.947 300 T CB -0.240 68.461 68.868 -0.278 0.000 1.114 300 T HN 0.349 nan 8.240 nan 0.000 0.633 301 A N 0.825 123.517 122.820 -0.213 0.000 1.690 301 A HA 0.308 4.628 4.320 0.001 0.000 0.213 301 A C 1.438 179.040 177.584 0.030 0.000 1.785 301 A CA -0.372 51.558 52.037 -0.179 0.000 1.230 301 A CB 0.056 18.829 19.000 -0.379 0.000 1.175 301 A HN 0.231 nan 8.150 nan 0.000 0.468 302 K N 1.585 121.978 120.400 -0.012 0.000 2.589 302 K HA 0.388 4.708 4.320 0.001 0.000 0.192 302 K C 1.296 177.913 176.600 0.027 0.000 1.029 302 K CA 0.879 57.212 56.287 0.077 0.000 1.031 302 K CB -0.391 32.134 32.500 0.043 0.000 0.821 302 K HN 0.494 nan 8.250 nan 0.000 0.502 303 A N 0.470 123.263 122.820 -0.045 0.000 1.909 303 A HA 0.272 4.592 4.320 0.001 0.000 0.210 303 A C 1.905 179.472 177.584 -0.029 0.000 1.273 303 A CA 0.635 52.649 52.037 -0.039 0.000 0.654 303 A CB -0.551 18.413 19.000 -0.059 0.000 0.945 303 A HN 0.206 nan 8.150 nan 0.000 0.471 304 A N -0.051 122.587 122.820 -0.303 0.000 2.247 304 A HA 0.436 4.757 4.320 0.001 0.000 0.205 304 A C 1.799 179.388 177.584 0.008 0.000 1.261 304 A CA 1.155 53.056 52.037 -0.228 0.000 0.853 304 A CB -0.852 17.619 19.000 -0.881 0.000 0.793 304 A HN 0.851 nan 8.150 nan 0.000 0.487 305 A N -0.198 122.669 122.820 0.077 0.000 1.903 305 A HA -0.005 4.315 4.320 0.001 0.000 0.213 305 A C 1.727 179.353 177.584 0.071 0.000 1.185 305 A CA 1.378 53.487 52.037 0.120 0.000 0.628 305 A CB -0.104 18.977 19.000 0.136 0.000 0.830 305 A HN 0.472 nan 8.150 nan 0.000 0.446 306 D N 0.057 120.498 120.400 0.069 0.000 2.202 306 D HA -0.059 4.581 4.640 0.001 0.000 0.214 306 D C 0.744 177.084 176.300 0.066 0.000 0.967 306 D CA 0.956 54.986 54.000 0.051 0.000 0.871 306 D CB -0.721 40.099 40.800 0.033 0.000 1.020 306 D HN 0.205 nan 8.370 nan 0.000 0.474 307 D N 0.138 120.597 120.400 0.098 0.000 2.393 307 D HA 0.024 4.664 4.640 0.001 0.000 0.220 307 D C 1.320 177.711 176.300 0.151 0.000 0.974 307 D CA 1.190 55.243 54.000 0.089 0.000 0.931 307 D CB 0.225 41.068 40.800 0.071 0.000 0.889 307 D HN 0.396 nan 8.370 nan 0.000 0.512 308 G N -1.817 107.101 108.800 0.195 0.000 2.070 308 G HA2 0.151 4.112 3.960 0.001 0.000 0.076 308 G HA3 0.151 4.112 3.960 0.001 0.000 0.076 308 G C -0.894 174.020 174.900 0.024 0.000 0.735 308 G CA -0.488 44.721 45.100 0.181 0.000 1.158 308 G HN 0.145 nan 8.290 nan 0.000 0.393 309 L N -0.635 120.453 121.223 -0.225 0.000 2.250 309 L HA 0.870 5.210 4.340 0.001 0.000 0.252 309 L C 0.262 176.850 176.870 -0.469 0.000 1.054 309 L CA -0.803 53.751 54.840 -0.477 0.000 0.856 309 L CB 2.549 44.204 42.059 -0.675 0.000 1.443 309 L HN 0.596 nan 8.230 nan 0.000 0.427 310 F N -1.174 118.509 119.950 -0.444 0.000 1.731 310 F HA 0.211 4.739 4.527 0.001 0.000 0.250 310 F C -2.129 173.567 175.800 -0.174 0.000 1.219 310 F CA -0.161 57.695 58.000 -0.239 0.000 1.314 310 F CB 0.303 39.191 39.000 -0.187 0.000 1.890 310 F HN 0.309 nan 8.300 nan 0.000 0.277 311 P HA 0.453 nan 4.420 nan 0.000 0.280 311 P C -2.795 174.285 177.300 -0.367 0.000 1.272 311 P CA -1.431 61.591 63.100 -0.130 0.000 0.819 311 P CB 1.261 32.849 31.700 -0.185 0.000 1.122 312 P HA 0.521 nan 4.420 nan 0.000 0.299 312 P C 0.010 177.093 177.300 -0.363 0.000 1.329 312 P CA -0.560 62.200 63.100 -0.566 0.000 1.073 312 P CB 1.460 32.958 31.700 -0.337 0.000 1.510 313 I N -2.903 117.457 120.570 -0.351 0.000 4.889 313 I HA -0.333 3.838 4.170 0.001 0.000 0.048 313 I C 0.242 176.138 176.117 -0.368 0.000 0.699 313 I CA 0.649 61.669 61.300 -0.466 0.000 0.222 313 I CB -1.678 35.840 38.000 -0.803 0.000 0.398 313 I HN 0.392 nan 8.210 nan 0.000 0.163 314 F N 2.418 122.271 119.950 -0.161 0.000 2.506 314 F HA 0.600 5.128 4.527 0.001 0.000 0.371 314 F C 0.955 176.708 175.800 -0.078 0.000 1.078 314 F CA -0.239 57.691 58.000 -0.116 0.000 1.195 314 F CB -0.046 38.871 39.000 -0.139 0.000 1.099 314 F HN 0.877 nan 8.300 nan 0.000 0.548 315 A N 2.983 125.900 122.820 0.161 0.000 6.319 315 A HA -0.262 4.059 4.320 0.001 0.000 0.281 315 A C 1.460 179.116 177.584 0.121 0.000 2.002 315 A CA 0.744 52.835 52.037 0.090 0.000 0.752 315 A CB -0.587 18.424 19.000 0.018 0.000 1.139 315 A HN 0.855 nan 8.150 nan 0.000 0.391 316 R N -0.864 119.678 120.500 0.071 0.000 2.310 316 R HA 0.285 4.625 4.340 0.001 0.000 0.202 316 R C 0.573 176.893 176.300 0.033 0.000 0.933 316 R CA 0.834 56.954 56.100 0.033 0.000 1.054 316 R CB -0.922 29.388 30.300 0.018 0.000 0.985 316 R HN 1.443 nan 8.270 nan 0.000 0.489 317 V N 2.324 122.265 119.914 0.046 0.000 5.981 317 V HA -0.259 3.862 4.120 0.001 0.000 0.233 317 V C -0.052 176.060 176.094 0.030 0.000 0.653 317 V CA 0.034 62.357 62.300 0.039 0.000 0.677 317 V CB -1.936 29.907 31.823 0.032 0.000 0.632 317 V HN 0.367 nan 8.190 nan 0.000 0.464 318 N N 2.456 121.176 118.700 0.033 0.000 2.292 318 N HA 0.074 4.814 4.740 0.001 0.000 0.242 318 N C 0.489 176.011 175.510 0.020 0.000 1.243 318 N CA 0.476 53.541 53.050 0.026 0.000 0.851 318 N CB 0.314 38.819 38.487 0.031 0.000 1.093 318 N HN 0.686 nan 8.380 nan 0.000 0.450 319 K N 1.487 121.892 120.400 0.009 0.000 2.591 319 K HA 0.083 4.403 4.320 0.001 0.000 0.280 319 K C 0.540 177.138 176.600 -0.004 0.000 0.964 319 K CA 1.078 57.365 56.287 -0.001 0.000 1.014 319 K CB 0.105 32.598 32.500 -0.012 0.000 0.877 319 K HN 0.686 nan 8.250 nan 0.000 0.502 320 A N 1.149 123.962 122.820 -0.010 0.000 3.232 320 A HA -0.002 4.318 4.320 0.001 0.000 0.238 320 A C 0.720 178.336 177.584 0.054 0.000 1.344 320 A CA 0.666 52.694 52.037 -0.015 0.000 0.875 320 A CB -2.354 16.593 19.000 -0.089 0.000 1.070 320 A HN 1.693 nan 8.150 nan 0.000 0.653 321 G N -1.484 107.344 108.800 0.046 0.000 2.642 321 G HA2 0.354 4.314 3.960 0.001 0.000 0.231 321 G HA3 0.354 4.314 3.960 0.001 0.000 0.231 321 G C 0.572 175.507 174.900 0.058 0.000 1.338 321 G CA 1.755 46.889 45.100 0.056 0.000 0.883 321 G HN 3.096 nan 8.290 nan 0.000 0.570 322 T N -3.721 110.867 114.554 0.057 0.000 0.543 322 T HA 0.078 4.429 4.350 0.001 0.000 0.774 322 T C -2.297 172.433 174.700 0.050 0.000 0.992 322 T CA 0.892 63.025 62.100 0.055 0.000 4.075 322 T CB -0.914 67.995 68.868 0.069 0.000 2.302 322 T HN 1.399 nan 8.240 nan 0.000 0.398 323 P HA 0.498 nan 4.420 nan 0.000 0.251 323 P C 1.330 178.666 177.300 0.059 0.000 1.718 323 P CA -0.586 62.544 63.100 0.050 0.000 1.119 323 P CB 0.856 32.571 31.700 0.025 0.000 1.762 324 V N 3.008 122.961 119.914 0.065 0.000 2.252 324 V HA -0.325 3.795 4.120 0.001 0.000 0.249 324 V C 2.438 178.583 176.094 0.085 0.000 1.056 324 V CA 2.901 65.244 62.300 0.072 0.000 1.022 324 V CB -1.255 30.606 31.823 0.064 0.000 0.641 324 V HN 0.430 nan 8.190 nan 0.000 0.445 325 A N -0.080 122.795 122.820 0.091 0.000 1.972 325 A HA -0.064 4.256 4.320 0.001 0.000 0.219 325 A C 2.343 180.011 177.584 0.140 0.000 1.169 325 A CA 1.894 54.000 52.037 0.115 0.000 0.635 325 A CB -1.166 17.901 19.000 0.111 0.000 0.810 325 A HN 0.558 nan 8.150 nan 0.000 0.446 326 G N 0.414 109.282 108.800 0.113 0.000 2.552 326 G HA2 -0.172 3.788 3.960 0.001 0.000 0.216 326 G HA3 -0.172 3.788 3.960 0.001 0.000 0.216 326 G C 1.429 176.300 174.900 -0.048 0.000 1.240 326 G CA 1.281 46.372 45.100 -0.015 0.000 0.796 326 G HN 0.465 nan 8.290 nan 0.000 0.568 327 L N 0.401 121.621 121.223 -0.005 0.000 2.141 327 L HA 0.100 4.440 4.340 0.001 0.000 0.209 327 L C 2.744 179.589 176.870 -0.042 0.000 1.094 327 L CA 0.539 55.371 54.840 -0.013 0.000 0.763 327 L CB -0.455 41.617 42.059 0.021 0.000 0.908 327 L HN 0.154 nan 8.230 nan 0.000 0.437 328 I N -0.187 120.406 120.570 0.039 0.000 2.163 328 I HA -0.319 3.852 4.170 0.001 0.000 0.243 328 I C 2.523 178.667 176.117 0.045 0.000 1.085 328 I CA 1.638 63.001 61.300 0.104 0.000 1.347 328 I CB -0.095 38.029 38.000 0.206 0.000 1.044 328 I HN 0.237 nan 8.210 nan 0.000 0.408 329 I N 0.119 120.723 120.570 0.056 0.000 2.286 329 I HA -0.264 3.907 4.170 0.001 0.000 0.248 329 I C 2.415 178.493 176.117 -0.065 0.000 1.115 329 I CA 1.233 62.565 61.300 0.053 0.000 1.392 329 I CB -0.072 38.028 38.000 0.167 0.000 1.065 329 I HN 0.050 nan 8.210 nan 0.000 0.418 330 V N 0.819 120.669 119.914 -0.107 0.000 2.490 330 V HA -0.208 3.913 4.120 0.001 0.000 0.250 330 V C 2.545 178.453 176.094 -0.311 0.000 1.061 330 V CA 1.929 64.110 62.300 -0.198 0.000 1.064 330 V CB -1.361 30.420 31.823 -0.071 0.000 0.670 330 V HN 0.568 nan 8.190 nan 0.000 0.461 331 G N 0.291 108.829 108.800 -0.438 0.000 2.421 331 G HA2 -0.210 3.750 3.960 0.001 0.000 0.216 331 G HA3 -0.210 3.750 3.960 0.001 0.000 0.216 331 G C 1.546 176.176 174.900 -0.450 0.000 1.171 331 G CA 1.082 45.643 45.100 -0.899 0.000 0.775 331 G HN 0.512 nan 8.290 nan 0.000 0.543 332 I N 0.380 120.879 120.570 -0.117 0.000 2.202 332 I HA -0.091 4.080 4.170 0.001 0.000 0.242 332 I C 2.608 178.727 176.117 0.003 0.000 1.091 332 I CA 0.505 61.860 61.300 0.091 0.000 1.368 332 I CB -0.229 37.843 38.000 0.121 0.000 1.058 332 I HN 0.056 nan 8.210 nan 0.000 0.410 333 L N -0.135 120.991 121.223 -0.163 0.000 2.131 333 L HA -0.220 4.120 4.340 0.001 0.000 0.210 333 L C 2.505 179.360 176.870 -0.025 0.000 1.092 333 L CA 1.833 56.496 54.840 -0.296 0.000 0.759 333 L CB -0.459 41.011 42.059 -0.982 0.000 0.903 333 L HN 0.407 nan 8.230 nan 0.000 0.435 334 M N -1.269 118.325 119.600 -0.010 0.000 2.248 334 M HA -0.146 4.335 4.480 0.001 0.000 0.265 334 M C 2.183 178.603 176.300 0.200 0.000 1.079 334 M CA 1.495 56.947 55.300 0.252 0.000 1.150 334 M CB 0.079 32.736 32.600 0.096 0.000 1.366 334 M HN 0.034 nan 8.290 nan 0.000 0.433 335 T N 0.800 115.426 114.554 0.120 0.000 2.777 335 T HA -0.063 4.287 4.350 0.001 0.000 0.266 335 T C 1.654 176.468 174.700 0.190 0.000 1.040 335 T CA 1.230 63.442 62.100 0.187 0.000 1.141 335 T CB -0.275 68.788 68.868 0.326 0.000 0.868 335 T HN 0.322 nan 8.240 nan 0.000 0.444 336 I N 0.146 120.834 120.570 0.197 0.000 2.194 336 I HA -0.191 3.979 4.170 0.001 0.000 0.246 336 I C 1.965 178.221 176.117 0.231 0.000 1.093 336 I CA 1.472 62.886 61.300 0.191 0.000 1.355 336 I CB -0.227 37.881 38.000 0.180 0.000 1.046 336 I HN 0.219 nan 8.210 nan 0.000 0.413 337 F N 0.731 120.756 119.950 0.125 0.000 2.512 337 F HA -0.079 4.448 4.527 0.001 0.000 0.296 337 F C 2.497 178.334 175.800 0.061 0.000 1.110 337 F CA 0.946 59.003 58.000 0.096 0.000 1.446 337 F CB -0.193 38.874 39.000 0.111 0.000 1.092 337 F HN 0.010 nan 8.300 nan 0.000 0.554 338 Q N 0.474 120.335 119.800 0.102 0.000 2.291 338 Q HA -0.077 4.263 4.340 0.001 0.000 0.206 338 Q C 0.837 176.808 176.000 -0.049 0.000 0.976 338 Q CA 1.015 56.822 55.803 0.007 0.000 0.875 338 Q CB -0.201 28.584 28.738 0.078 0.000 0.927 338 Q HN 0.458 nan 8.270 nan 0.000 0.450 339 L N -2.898 118.309 121.223 -0.027 0.000 3.108 339 L HA 0.421 4.761 4.340 0.001 0.000 0.251 339 L C 0.572 177.398 176.870 -0.073 0.000 1.315 339 L CA -0.070 54.748 54.840 -0.036 0.000 1.048 339 L CB 0.918 42.987 42.059 0.016 0.000 1.432 339 L HN -0.240 nan 8.230 nan 0.000 0.543 340 S N -1.682 113.906 115.700 -0.187 0.000 2.551 340 S HA 0.038 4.508 4.470 0.001 0.000 0.236 340 S C 0.802 175.184 174.600 -0.363 0.000 0.915 340 S CA 0.137 58.221 58.200 -0.193 0.000 1.525 340 S CB 0.283 63.426 63.200 -0.095 0.000 1.256 340 S HN 0.383 nan 8.310 nan 0.000 0.641 341 S N 1.462 116.799 115.700 -0.605 0.000 2.526 341 S HA 0.426 4.896 4.470 0.001 0.000 0.245 341 S C 1.206 175.629 174.600 -0.295 0.000 1.103 341 S CA -0.367 57.485 58.200 -0.579 0.000 1.095 341 S CB -0.561 61.983 63.200 -1.094 0.000 0.826 341 S HN 0.405 nan 8.310 nan 0.000 0.468 342 I N 0.751 121.202 120.570 -0.197 0.000 2.076 342 I HA -0.103 4.067 4.170 0.001 0.000 0.237 342 I C 0.918 176.992 176.117 -0.072 0.000 1.059 342 I CA 0.824 62.057 61.300 -0.110 0.000 1.317 342 I CB -0.218 37.738 38.000 -0.073 0.000 1.037 342 I HN 0.409 nan 8.210 nan 0.000 0.398 343 S N -1.629 114.037 115.700 -0.056 0.000 3.260 343 S HA -0.040 4.430 4.470 0.001 0.000 0.791 343 S C -2.433 172.133 174.600 -0.056 0.000 0.945 343 S CA -1.142 57.023 58.200 -0.058 0.000 1.263 343 S CB -0.974 62.181 63.200 -0.074 0.000 0.870 343 S HN 0.001 nan 8.310 nan 0.000 0.273 344 P HA 0.352 nan 4.420 nan 0.000 0.270 344 P C 0.526 177.811 177.300 -0.025 0.000 1.221 344 P CA 0.535 63.624 63.100 -0.018 0.000 0.788 344 P CB 0.199 31.895 31.700 -0.006 0.000 0.904 345 N N -0.437 118.269 118.700 0.011 0.000 3.718 345 N HA 0.079 4.819 4.740 0.001 0.000 0.172 345 N C -1.317 174.231 175.510 0.062 0.000 0.951 345 N CA 0.934 54.010 53.050 0.043 0.000 2.341 345 N CB -1.457 37.041 38.487 0.018 0.000 1.165 345 N HN 0.631 nan 8.380 nan 0.000 0.703 346 A N -0.448 122.403 122.820 0.052 0.000 1.740 346 A HA -0.076 4.244 4.320 0.001 0.000 0.325 346 A C 1.357 178.967 177.584 0.044 0.000 1.042 346 A CA 1.052 53.124 52.037 0.058 0.000 0.567 346 A CB -2.072 16.983 19.000 0.092 0.000 1.864 346 A HN 1.225 nan 8.150 nan 0.000 0.275 347 T N -0.592 113.981 114.554 0.031 0.000 3.052 347 T HA 0.119 4.469 4.350 0.001 0.000 0.270 347 T C 0.770 175.484 174.700 0.024 0.000 1.147 347 T CA 1.962 64.074 62.100 0.019 0.000 1.089 347 T CB -0.106 68.772 68.868 0.016 0.000 0.875 347 T HN 0.911 nan 8.240 nan 0.000 0.541 348 K N -0.282 120.141 120.400 0.040 0.000 2.228 348 K HA 0.341 4.662 4.320 0.001 0.000 0.261 348 K C -0.773 175.859 176.600 0.053 0.000 0.941 348 K CA -1.018 55.291 56.287 0.038 0.000 0.792 348 K CB 1.332 33.859 32.500 0.044 0.000 1.495 348 K HN 0.098 nan 8.250 nan 0.000 0.387 349 E N 0.514 120.736 120.200 0.035 0.000 2.459 349 E HA -0.068 4.282 4.350 0.001 0.000 0.264 349 E C -0.850 175.857 176.600 0.178 0.000 1.055 349 E CA 0.856 57.264 56.400 0.013 0.000 0.957 349 E CB -0.020 29.634 29.700 -0.076 0.000 0.952 349 E HN 0.387 nan 8.360 nan 0.000 0.448 350 F N 0.031 120.063 119.950 0.137 0.000 2.659 350 F HA -0.133 4.394 4.527 0.001 0.000 0.368 350 F C 0.848 176.691 175.800 0.072 0.000 1.083 350 F CA 0.987 59.073 58.000 0.143 0.000 1.195 350 F CB -1.403 37.664 39.000 0.112 0.000 1.616 350 F HN 0.661 nan 8.300 nan 0.000 0.801 351 G N 0.437 109.376 108.800 0.231 0.000 3.605 351 G HA2 0.403 4.363 3.960 0.001 0.000 0.277 351 G HA3 0.403 4.363 3.960 0.001 0.000 0.277 351 G C 1.150 176.140 174.900 0.151 0.000 1.093 351 G CA 0.287 45.480 45.100 0.155 0.000 0.821 351 G HN 0.648 nan 8.290 nan 0.000 0.532 352 L N -1.701 119.630 121.223 0.181 0.000 4.914 352 L HA -0.270 4.070 4.340 0.001 0.000 0.443 352 L C 1.417 178.382 176.870 0.159 0.000 1.095 352 L CA 0.743 55.708 54.840 0.208 0.000 0.975 352 L CB -1.031 41.163 42.059 0.223 0.000 1.914 352 L HN 0.296 nan 8.230 nan 0.000 0.837 353 V N -3.449 116.506 119.914 0.068 0.000 3.110 353 V HA -0.001 4.120 4.120 0.001 0.000 0.233 353 V C 1.499 177.512 176.094 -0.135 0.000 1.550 353 V CA 1.191 63.456 62.300 -0.059 0.000 1.186 353 V CB 1.264 33.108 31.823 0.034 0.000 1.052 353 V HN 0.248 nan 8.190 nan 0.000 0.452 354 S N 0.458 116.137 115.700 -0.034 0.000 2.496 354 S HA -0.070 4.400 4.470 0.001 0.000 0.224 354 S C 2.059 176.587 174.600 -0.120 0.000 0.996 354 S CA 1.617 59.761 58.200 -0.092 0.000 0.927 354 S CB 0.093 63.272 63.200 -0.035 0.000 0.774 354 S HN 0.771 nan 8.310 nan 0.000 0.524 355 S N 0.113 115.810 115.700 -0.005 0.000 2.460 355 S HA 0.070 4.540 4.470 0.001 0.000 0.226 355 S C 1.767 176.392 174.600 0.040 0.000 1.057 355 S CA 0.695 58.961 58.200 0.110 0.000 0.948 355 S CB -0.654 62.794 63.200 0.414 0.000 0.822 355 S HN 0.267 nan 8.310 nan 0.000 0.512 356 V N 3.795 123.668 119.914 -0.068 0.000 2.282 356 V HA -0.211 3.909 4.120 0.001 0.000 0.249 356 V C 3.171 178.898 176.094 -0.611 0.000 1.057 356 V CA 2.239 64.377 62.300 -0.269 0.000 1.032 356 V CB -1.586 30.032 31.823 -0.342 0.000 0.645 356 V HN 0.809 nan 8.190 nan 0.000 0.447 357 S N -0.214 115.093 115.700 -0.656 0.000 2.465 357 S HA -0.165 4.305 4.470 0.001 0.000 0.241 357 S C 1.843 176.317 174.600 -0.211 0.000 1.000 357 S CA 1.648 59.507 58.200 -0.569 0.000 0.964 357 S CB -0.600 62.330 63.200 -0.450 0.000 0.763 357 S HN 0.343 nan 8.310 nan 0.000 0.512 358 V N 2.274 122.094 119.914 -0.156 0.000 2.270 358 V HA -0.143 3.977 4.120 0.001 0.000 0.245 358 V C 2.473 178.620 176.094 0.088 0.000 1.043 358 V CA 2.057 64.333 62.300 -0.039 0.000 1.014 358 V CB -0.775 31.041 31.823 -0.012 0.000 0.645 358 V HN 0.543 nan 8.190 nan 0.000 0.447 359 I N -0.787 119.854 120.570 0.119 0.000 2.118 359 I HA -0.269 3.902 4.170 0.001 0.000 0.241 359 I C 2.432 178.741 176.117 0.321 0.000 1.070 359 I CA 1.696 63.120 61.300 0.206 0.000 1.327 359 I CB -0.724 37.408 38.000 0.220 0.000 1.034 359 I HN 0.173 nan 8.210 nan 0.000 0.405 360 F N 1.738 121.735 119.950 0.078 0.000 2.111 360 F HA -0.282 4.245 4.527 0.000 0.000 0.300 360 F C 2.959 178.816 175.800 0.095 0.000 1.088 360 F CA 1.913 59.953 58.000 0.067 0.000 1.243 360 F CB -1.955 37.058 39.000 0.021 0.000 0.996 360 F HN 0.265 nan 8.300 nan 0.000 0.483 361 T N -2.109 112.619 114.554 0.290 0.000 3.163 361 T HA -0.008 4.342 4.350 0.001 0.000 0.260 361 T C 1.845 176.787 174.700 0.404 0.000 1.156 361 T CA 0.388 62.640 62.100 0.252 0.000 1.072 361 T CB -0.290 68.651 68.868 0.123 0.000 0.937 361 T HN 0.092 nan 8.240 nan 0.000 0.528 362 L N 0.890 122.287 121.223 0.290 0.000 2.168 362 L HA 0.097 4.438 4.340 0.001 0.000 0.203 362 L C 2.834 179.880 176.870 0.294 0.000 1.078 362 L CA 0.911 55.905 54.840 0.257 0.000 0.780 362 L CB -0.936 41.212 42.059 0.149 0.000 0.939 362 L HN 0.263 nan 8.230 nan 0.000 0.451 363 V N 0.156 120.169 119.914 0.165 0.000 2.250 363 V HA -0.211 3.910 4.120 0.001 0.000 0.250 363 V C -0.120 175.935 176.094 -0.066 0.000 1.060 363 V CA 1.766 64.042 62.300 -0.040 0.000 1.030 363 V CB -2.546 29.170 31.823 -0.178 0.000 0.643 363 V HN 0.267 nan 8.190 nan 0.000 0.445 364 P HA -0.158 nan 4.420 nan 0.000 0.218 364 P C 1.507 178.892 177.300 0.141 0.000 1.146 364 P CA 1.577 64.754 63.100 0.127 0.000 0.813 364 P CB -0.204 31.639 31.700 0.239 0.000 0.778 365 Y N -1.027 119.352 120.300 0.131 0.000 2.145 365 Y HA -0.167 4.383 4.550 0.001 0.000 0.286 365 Y C 2.477 178.423 175.900 0.077 0.000 1.145 365 Y CA 0.964 59.113 58.100 0.082 0.000 1.148 365 Y CB -0.939 37.560 38.460 0.064 0.000 0.981 365 Y HN -0.105 nan 8.280 nan 0.000 0.507 366 L N -0.481 120.895 121.223 0.255 0.000 1.943 366 L HA -0.322 4.018 4.340 0.001 0.000 0.215 366 L C 2.147 179.245 176.870 0.381 0.000 1.074 366 L CA 2.163 57.180 54.840 0.295 0.000 0.759 366 L CB -0.998 41.193 42.059 0.220 0.000 0.888 366 L HN 0.362 nan 8.230 nan 0.000 0.433 367 Y N 0.121 120.543 120.300 0.204 0.000 2.097 367 Y HA -0.321 4.230 4.550 0.000 0.000 0.282 367 Y C 2.696 178.653 175.900 0.095 0.000 1.152 367 Y CA 1.024 59.219 58.100 0.159 0.000 1.136 367 Y CB -0.934 37.601 38.460 0.126 0.000 0.975 367 Y HN 0.332 nan 8.280 nan 0.000 0.498 368 T N 0.095 114.764 114.554 0.191 0.000 2.397 368 T HA -0.381 3.969 4.350 0.001 0.000 0.236 368 T C 1.858 176.529 174.700 -0.048 0.000 1.393 368 T CA 2.156 64.233 62.100 -0.039 0.000 1.148 368 T CB -1.051 67.839 68.868 0.037 0.000 0.853 368 T HN 0.498 nan 8.240 nan 0.000 0.419 369 C N 1.543 120.805 119.300 -0.062 0.000 2.403 369 C HA 0.021 4.481 4.460 0.001 0.000 0.282 369 C C 3.136 178.199 174.990 0.122 0.000 1.297 369 C CA 0.264 59.143 59.018 -0.231 0.000 1.785 369 C CB -1.740 25.442 27.740 -0.929 0.000 1.963 369 C HN 0.732 nan 8.230 nan 0.000 0.507 370 A N 0.134 123.168 122.820 0.357 0.000 1.969 370 A HA 0.138 4.458 4.320 0.001 0.000 0.218 370 A C 2.292 179.985 177.584 0.182 0.000 1.169 370 A CA 1.927 54.211 52.037 0.413 0.000 0.635 370 A CB -0.514 18.694 19.000 0.347 0.000 0.810 370 A HN 0.586 nan 8.150 nan 0.000 0.445 371 A N -1.002 121.878 122.820 0.101 0.000 1.943 371 A HA 0.231 4.552 4.320 0.001 0.000 0.213 371 A C 1.674 179.256 177.584 -0.003 0.000 1.181 371 A CA 0.914 52.976 52.037 0.040 0.000 0.653 371 A CB -0.417 18.612 19.000 0.049 0.000 0.833 371 A HN 0.557 nan 8.150 nan 0.000 0.451 372 L N -0.336 120.851 121.223 -0.060 0.000 2.834 372 L HA 0.110 4.450 4.340 0.001 0.000 0.252 372 L C 0.869 177.748 176.870 0.014 0.000 1.152 372 L CA 1.026 55.810 54.840 -0.094 0.000 0.898 372 L CB -0.365 41.595 42.059 -0.165 0.000 1.078 372 L HN 0.402 nan 8.230 nan 0.000 0.439 373 L N -3.912 117.349 121.223 0.063 0.000 2.885 373 L HA 0.104 4.444 4.340 0.001 0.000 0.263 373 L C 1.326 178.194 176.870 -0.003 0.000 1.033 373 L CA -0.268 54.638 54.840 0.110 0.000 1.051 373 L CB -0.318 41.825 42.059 0.140 0.000 1.860 373 L HN -0.105 nan 8.230 nan 0.000 0.544 374 L N 0.825 122.017 121.223 -0.052 0.000 2.549 374 L HA 0.011 4.352 4.340 0.001 0.000 0.230 374 L C 1.281 178.043 176.870 -0.179 0.000 1.162 374 L CA 1.719 56.436 54.840 -0.206 0.000 0.834 374 L CB -0.279 41.721 42.059 -0.099 0.000 0.947 374 L HN 0.228 nan 8.230 nan 0.000 0.452 375 L N -2.385 118.842 121.223 0.005 0.000 3.429 375 L HA 0.339 4.679 4.340 0.001 0.000 0.311 375 L C 1.181 178.132 176.870 0.134 0.000 1.274 375 L CA 0.194 55.118 54.840 0.141 0.000 1.037 375 L CB 0.322 42.451 42.059 0.118 0.000 1.433 375 L HN 0.113 nan 8.230 nan 0.000 0.614 376 G N -2.138 106.737 108.800 0.124 0.000 3.899 376 G HA2 0.050 4.010 3.960 0.001 0.000 0.293 376 G HA3 0.050 4.010 3.960 0.001 0.000 0.293 376 G C 0.862 175.929 174.900 0.278 0.000 1.054 376 G CA -0.241 44.997 45.100 0.229 0.000 0.846 376 G HN 0.188 nan 8.290 nan 0.000 0.525 377 H N 1.157 120.294 119.070 0.111 0.000 2.400 377 H HA -0.248 4.308 4.556 0.001 0.000 0.279 377 H C 2.023 177.376 175.328 0.041 0.000 1.139 377 H CA 2.302 58.385 56.048 0.057 0.000 1.126 377 H CB 0.203 29.978 29.762 0.023 0.000 1.352 377 H HN 0.473 nan 8.280 nan 0.000 0.468 378 G N -2.156 106.749 108.800 0.174 0.000 4.908 378 G HA2 0.114 4.074 3.960 0.001 0.000 0.267 378 G HA3 0.114 4.074 3.960 0.001 0.000 0.267 378 G C -1.010 173.977 174.900 0.145 0.000 0.958 378 G CA -0.212 44.940 45.100 0.087 0.000 0.743 378 G HN 0.577 nan 8.290 nan 0.000 0.410 379 H N -0.795 118.299 119.070 0.040 0.000 3.207 379 H HA -0.186 4.371 4.556 0.001 0.000 0.291 379 H C -0.254 175.123 175.328 0.081 0.000 0.818 379 H CA 0.216 56.315 56.048 0.086 0.000 0.900 379 H CB -0.288 29.543 29.762 0.115 0.000 1.515 379 H HN 0.355 nan 8.280 nan 0.000 0.315 380 F N 2.589 122.594 119.950 0.090 0.000 2.706 380 F HA 0.156 4.683 4.527 0.001 0.000 0.315 380 F C 1.424 177.277 175.800 0.089 0.000 1.286 380 F CA 0.901 58.948 58.000 0.079 0.000 1.424 380 F CB 0.309 39.342 39.000 0.055 0.000 1.262 380 F HN 0.489 nan 8.300 nan 0.000 0.547 381 G N 0.648 109.611 108.800 0.272 0.000 2.733 381 G HA2 0.323 4.284 3.960 0.001 0.000 0.297 381 G HA3 0.323 4.284 3.960 0.001 0.000 0.297 381 G C -1.434 173.644 174.900 0.297 0.000 1.452 381 G CA -0.983 44.276 45.100 0.266 0.000 0.940 381 G HN -0.011 nan 8.290 nan 0.000 0.547 382 K N 0.195 120.705 120.400 0.183 0.000 2.109 382 K HA 0.710 5.030 4.320 0.001 0.000 0.243 382 K C 0.444 177.054 176.600 0.016 0.000 1.006 382 K CA 0.269 56.614 56.287 0.097 0.000 0.917 382 K CB 1.534 34.064 32.500 0.050 0.000 1.081 382 K HN 1.885 nan 8.250 nan 0.000 0.468 383 A N 1.399 124.199 122.820 -0.033 0.000 1.641 383 A HA -0.165 4.155 4.320 0.001 0.000 0.211 383 A C 0.781 178.286 177.584 -0.132 0.000 1.300 383 A CA 0.871 52.848 52.037 -0.101 0.000 0.653 383 A CB -0.955 17.951 19.000 -0.157 0.000 1.164 383 A HN 0.963 nan 8.150 nan 0.000 0.206 384 R N 2.619 123.047 120.500 -0.120 0.000 2.051 384 R HA -0.027 4.314 4.340 0.001 0.000 0.225 384 R C -0.729 175.498 176.300 -0.122 0.000 1.155 384 R CA 1.427 57.422 56.100 -0.175 0.000 0.945 384 R CB -0.639 29.563 30.300 -0.165 0.000 0.840 384 R HN 0.565 nan 8.270 nan 0.000 0.432 385 P HA -0.137 nan 4.420 nan 0.000 0.216 385 P C 0.812 178.089 177.300 -0.037 0.000 1.150 385 P CA 1.954 65.022 63.100 -0.052 0.000 0.843 385 P CB -0.116 31.555 31.700 -0.049 0.000 0.787 386 A N -1.036 121.733 122.820 -0.085 0.000 1.851 386 A HA -0.251 4.069 4.320 0.001 0.000 0.216 386 A C 2.083 179.671 177.584 0.007 0.000 1.195 386 A CA 1.711 53.691 52.037 -0.096 0.000 0.622 386 A CB -2.048 16.818 19.000 -0.223 0.000 0.831 386 A HN 0.110 nan 8.150 nan 0.000 0.444 387 Y N -0.413 119.903 120.300 0.027 0.000 2.333 387 Y HA -0.063 4.488 4.550 0.001 0.000 0.290 387 Y C 2.178 178.112 175.900 0.056 0.000 1.144 387 Y CA 0.212 58.356 58.100 0.074 0.000 1.228 387 Y CB -0.577 38.038 38.460 0.259 0.000 0.985 387 Y HN 0.222 nan 8.280 nan 0.000 0.542 388 L N -1.067 120.250 121.223 0.157 0.000 2.201 388 L HA -0.187 4.153 4.340 0.001 0.000 0.212 388 L C 2.178 179.107 176.870 0.098 0.000 1.105 388 L CA 1.316 56.215 54.840 0.097 0.000 0.775 388 L CB -0.595 41.479 42.059 0.025 0.000 0.913 388 L HN 0.278 nan 8.230 nan 0.000 0.440 389 A N -0.544 122.324 122.820 0.080 0.000 1.832 389 A HA -0.109 4.211 4.320 0.001 0.000 0.214 389 A C 2.116 179.746 177.584 0.077 0.000 1.242 389 A CA 1.187 53.264 52.037 0.066 0.000 0.603 389 A CB -0.959 18.062 19.000 0.035 0.000 0.902 389 A HN 0.120 nan 8.150 nan 0.000 0.455 390 V N 1.241 121.197 119.914 0.069 0.000 2.285 390 V HA -0.388 3.732 4.120 0.001 0.000 0.260 390 V C 2.882 178.991 176.094 0.027 0.000 1.089 390 V CA 2.998 65.325 62.300 0.045 0.000 1.082 390 V CB -1.850 30.010 31.823 0.062 0.000 0.681 390 V HN 0.845 nan 8.190 nan 0.000 0.452 391 T N -3.210 111.381 114.554 0.062 0.000 2.821 391 T HA -0.192 4.158 4.350 0.001 0.000 0.267 391 T C 1.761 176.546 174.700 0.142 0.000 1.046 391 T CA 1.807 63.923 62.100 0.026 0.000 1.139 391 T CB -0.725 68.202 68.868 0.098 0.000 0.871 391 T HN 0.513 nan 8.240 nan 0.000 0.454 392 T N 2.346 117.050 114.554 0.251 0.000 2.684 392 T HA 0.045 4.396 4.350 0.001 0.000 0.267 392 T C 1.940 176.779 174.700 0.233 0.000 1.036 392 T CA 1.184 63.478 62.100 0.324 0.000 1.148 392 T CB -0.522 68.453 68.868 0.177 0.000 0.863 392 T HN 0.326 nan 8.240 nan 0.000 0.436 393 I N 1.233 121.872 120.570 0.116 0.000 2.194 393 I HA -0.265 3.905 4.170 0.001 0.000 0.246 393 I C 2.889 179.051 176.117 0.074 0.000 1.093 393 I CA 1.301 62.645 61.300 0.072 0.000 1.355 393 I CB -0.501 37.514 38.000 0.024 0.000 1.046 393 I HN 0.227 nan 8.210 nan 0.000 0.413 394 A N 0.426 123.241 122.820 -0.007 0.000 1.940 394 A HA -0.223 4.098 4.320 0.001 0.000 0.219 394 A C 2.022 179.606 177.584 -0.000 0.000 1.176 394 A CA 1.555 53.533 52.037 -0.098 0.000 0.631 394 A CB -0.846 18.001 19.000 -0.256 0.000 0.814 394 A HN 0.338 nan 8.150 nan 0.000 0.446 395 F N -0.096 119.928 119.950 0.123 0.000 2.146 395 F HA -0.048 4.479 4.527 0.001 0.000 0.298 395 F C 2.127 178.029 175.800 0.170 0.000 1.096 395 F CA 0.842 58.930 58.000 0.147 0.000 1.275 395 F CB -0.522 38.547 39.000 0.116 0.000 1.008 395 F HN 0.100 nan 8.300 nan 0.000 0.480 396 L N -1.210 120.204 121.223 0.318 0.000 1.921 396 L HA -0.317 4.024 4.340 0.001 0.000 0.219 396 L C 2.392 179.438 176.870 0.293 0.000 1.081 396 L CA 2.005 56.991 54.840 0.244 0.000 0.771 396 L CB -1.214 40.903 42.059 0.096 0.000 0.888 396 L HN 0.135 nan 8.230 nan 0.000 0.433 397 Y N 0.298 120.655 120.300 0.095 0.000 2.110 397 Y HA -0.457 4.094 4.550 0.000 0.000 0.258 397 Y C 2.703 178.684 175.900 0.135 0.000 1.271 397 Y CA 2.041 60.198 58.100 0.095 0.000 1.080 397 Y CB -1.070 37.403 38.460 0.022 0.000 0.892 397 Y HN 0.278 nan 8.280 nan 0.000 0.510 398 C N -0.229 119.341 119.300 0.450 0.000 2.440 398 C HA -0.122 4.338 4.460 0.001 0.000 0.278 398 C C 2.921 178.045 174.990 0.222 0.000 1.295 398 C CA 1.120 60.326 59.018 0.314 0.000 1.738 398 C CB -1.386 26.542 27.740 0.313 0.000 1.987 398 C HN 0.708 nan 8.230 nan 0.000 0.492 399 I N -0.893 119.840 120.570 0.272 0.000 2.406 399 I HA -0.142 4.028 4.170 0.001 0.000 0.249 399 I C 2.513 178.754 176.117 0.207 0.000 1.122 399 I CA 1.151 62.593 61.300 0.238 0.000 1.431 399 I CB -0.326 37.834 38.000 0.266 0.000 1.087 399 I HN 0.621 nan 8.210 nan 0.000 0.424 400 W N 1.645 122.958 121.300 0.022 0.000 2.380 400 W HA -0.186 4.474 4.660 0.000 0.000 0.317 400 W C 2.283 178.752 176.519 -0.083 0.000 1.196 400 W CA 1.499 58.826 57.345 -0.030 0.000 1.307 400 W CB -0.129 29.306 29.460 -0.041 0.000 1.157 400 W HN 0.094 nan 8.180 nan 0.000 0.483 401 A N 0.168 123.020 122.820 0.052 0.000 2.292 401 A HA 0.013 4.334 4.320 0.001 0.000 0.209 401 A C 1.312 178.851 177.584 -0.075 0.000 1.209 401 A CA 1.593 53.578 52.037 -0.088 0.000 0.746 401 A CB -0.527 18.352 19.000 -0.201 0.000 0.764 401 A HN 0.174 nan 8.150 nan 0.000 0.492 402 V N -2.801 117.078 119.914 -0.059 0.000 3.359 402 V HA -0.003 4.117 4.120 0.001 0.000 0.270 402 V C 1.940 177.986 176.094 -0.081 0.000 1.583 402 V CA 0.744 63.025 62.300 -0.031 0.000 1.019 402 V CB 0.628 32.483 31.823 0.052 0.000 0.831 402 V HN 0.260 nan 8.190 nan 0.000 0.426 403 V N 1.247 121.080 119.914 -0.135 0.000 2.358 403 V HA 0.071 4.192 4.120 0.001 0.000 0.246 403 V C 1.498 177.403 176.094 -0.315 0.000 1.047 403 V CA 2.140 64.312 62.300 -0.212 0.000 1.035 403 V CB -0.025 31.642 31.823 -0.261 0.000 0.658 403 V HN 0.545 nan 8.190 nan 0.000 0.452 404 G N -0.478 108.072 108.800 -0.417 0.000 3.444 404 G HA2 0.545 4.506 3.960 0.001 0.000 0.315 404 G HA3 0.545 4.506 3.960 0.001 0.000 0.315 404 G C -0.365 174.346 174.900 -0.316 0.000 1.079 404 G CA 0.423 45.281 45.100 -0.403 0.000 1.500 404 G HN 0.382 nan 8.290 nan 0.000 0.518 405 S N -0.430 115.109 115.700 -0.268 0.000 2.672 405 S HA 0.705 5.176 4.470 0.001 0.000 0.271 405 S C 0.439 174.893 174.600 -0.243 0.000 1.171 405 S CA -0.071 57.966 58.200 -0.273 0.000 0.817 405 S CB 0.767 63.825 63.200 -0.238 0.000 1.150 405 S HN 0.906 nan 8.310 nan 0.000 0.478 406 G N 0.907 109.549 108.800 -0.263 0.000 2.265 406 G HA2 0.401 4.362 3.960 0.001 0.000 0.240 406 G HA3 0.401 4.362 3.960 0.001 0.000 0.240 406 G C 1.044 175.825 174.900 -0.199 0.000 1.270 406 G CA 0.350 45.281 45.100 -0.282 0.000 0.901 406 G HN 0.965 nan 8.290 nan 0.000 0.507 407 A N 2.638 125.327 122.820 -0.219 0.000 1.929 407 A HA 0.019 4.339 4.320 0.001 0.000 0.216 407 A C 2.335 179.769 177.584 -0.251 0.000 1.176 407 A CA 1.709 53.623 52.037 -0.206 0.000 0.628 407 A CB -0.147 18.733 19.000 -0.200 0.000 0.816 407 A HN 0.614 nan 8.150 nan 0.000 0.444 408 K N 0.496 120.720 120.400 -0.293 0.000 2.062 408 K HA -0.054 4.267 4.320 0.001 0.000 0.205 408 K C 1.749 178.087 176.600 -0.436 0.000 1.051 408 K CA 1.554 57.556 56.287 -0.476 0.000 0.941 408 K CB -0.279 31.969 32.500 -0.421 0.000 0.719 408 K HN 0.594 nan 8.250 nan 0.000 0.440 409 E N 0.497 120.614 120.200 -0.137 0.000 2.033 409 E HA -0.202 4.148 4.350 0.001 0.000 0.199 409 E C 2.016 178.710 176.600 0.156 0.000 1.011 409 E CA 1.668 58.119 56.400 0.084 0.000 0.815 409 E CB -0.442 29.315 29.700 0.096 0.000 0.755 409 E HN -0.019 nan 8.360 nan 0.000 0.451 410 V N 1.569 121.522 119.914 0.065 0.000 2.244 410 V HA -0.332 3.788 4.120 0.001 0.000 0.244 410 V C 2.471 178.681 176.094 0.193 0.000 1.042 410 V CA 2.213 64.590 62.300 0.129 0.000 1.006 410 V CB -0.709 31.143 31.823 0.049 0.000 0.641 410 V HN 0.454 nan 8.190 nan 0.000 0.446 411 M N -0.954 118.673 119.600 0.045 0.000 2.153 411 M HA -0.306 4.174 4.480 0.001 0.000 0.253 411 M C 1.998 178.513 176.300 0.357 0.000 1.081 411 M CA 2.496 57.812 55.300 0.026 0.000 1.076 411 M CB -1.046 31.426 32.600 -0.213 0.000 1.350 411 M HN 0.372 nan 8.290 nan 0.000 0.401 412 W N 0.604 121.981 121.300 0.128 0.000 2.354 412 W HA -0.162 4.499 4.660 0.001 0.000 0.315 412 W C 2.713 179.424 176.519 0.320 0.000 1.206 412 W CA 0.619 58.068 57.345 0.173 0.000 1.290 412 W CB -0.439 29.080 29.460 0.098 0.000 1.152 412 W HN 0.333 nan 8.180 nan 0.000 0.489 413 S N 0.564 116.666 115.700 0.670 0.000 2.368 413 S HA -0.325 4.145 4.470 0.001 0.000 0.226 413 S C 1.418 176.295 174.600 0.460 0.000 1.044 413 S CA 1.969 60.636 58.200 0.779 0.000 1.062 413 S CB -1.055 62.516 63.200 0.618 0.000 0.931 413 S HN 0.345 nan 8.310 nan 0.000 0.440 414 F N 2.017 122.126 119.950 0.266 0.000 2.161 414 F HA -0.179 4.349 4.527 0.001 0.000 0.300 414 F C 2.070 177.979 175.800 0.182 0.000 1.089 414 F CA 1.022 59.133 58.000 0.184 0.000 1.282 414 F CB -0.176 38.922 39.000 0.163 0.000 1.010 414 F HN -0.018 nan 8.300 nan 0.000 0.485 415 V N -0.084 120.221 119.914 0.652 0.000 2.392 415 V HA -0.338 3.783 4.120 0.001 0.000 0.249 415 V C 2.234 178.464 176.094 0.226 0.000 1.059 415 V CA 2.413 64.984 62.300 0.452 0.000 1.051 415 V CB -1.165 30.944 31.823 0.476 0.000 0.658 415 V HN 0.428 nan 8.190 nan 0.000 0.455 416 T N 0.018 114.686 114.554 0.190 0.000 2.867 416 T HA -0.036 4.315 4.350 0.001 0.000 0.268 416 T C 1.897 176.554 174.700 -0.071 0.000 1.057 416 T CA 1.050 63.167 62.100 0.027 0.000 1.136 416 T CB -0.177 68.649 68.868 -0.069 0.000 0.874 416 T HN 0.249 nan 8.240 nan 0.000 0.466 417 L N 0.563 121.742 121.223 -0.073 0.000 2.046 417 L HA -0.082 4.258 4.340 0.001 0.000 0.208 417 L C 2.649 179.470 176.870 -0.081 0.000 1.077 417 L CA 1.475 56.232 54.840 -0.138 0.000 0.747 417 L CB -0.524 41.402 42.059 -0.222 0.000 0.896 417 L HN 0.385 nan 8.230 nan 0.000 0.432 418 M N -1.403 118.174 119.600 -0.038 0.000 2.108 418 M HA -0.216 4.264 4.480 0.001 0.000 0.261 418 M C 2.313 178.641 176.300 0.046 0.000 1.066 418 M CA 1.483 56.807 55.300 0.040 0.000 1.107 418 M CB -0.541 32.146 32.600 0.145 0.000 1.356 418 M HN 0.153 nan 8.290 nan 0.000 0.406 419 V N 0.381 120.312 119.914 0.029 0.000 2.535 419 V HA -0.157 3.964 4.120 0.001 0.000 0.246 419 V C 2.088 178.152 176.094 -0.049 0.000 1.045 419 V CA 1.128 63.434 62.300 0.010 0.000 1.058 419 V CB -0.094 31.739 31.823 0.017 0.000 0.689 419 V HN 0.321 nan 8.190 nan 0.000 0.461 420 I N -0.229 120.278 120.570 -0.104 0.000 2.052 420 I HA -0.302 3.869 4.170 0.001 0.000 0.235 420 I C 2.353 178.283 176.117 -0.312 0.000 1.046 420 I CA 2.274 63.439 61.300 -0.225 0.000 1.308 420 I CB -0.567 37.283 38.000 -0.250 0.000 1.031 420 I HN 0.349 nan 8.210 nan 0.000 0.395 421 T N 0.698 115.164 114.554 -0.147 0.000 1.997 421 T HA -0.404 3.947 4.350 0.001 0.000 0.161 421 T C 1.607 176.329 174.700 0.037 0.000 1.893 421 T CA 2.290 64.442 62.100 0.088 0.000 1.126 421 T CB -0.743 68.258 68.868 0.221 0.000 0.864 421 T HN 0.575 nan 8.240 nan 0.000 0.379 422 A N 0.607 123.478 122.820 0.085 0.000 2.298 422 A HA -0.064 4.256 4.320 0.001 0.000 0.215 422 A C 1.994 179.618 177.584 0.066 0.000 1.193 422 A CA 1.596 53.694 52.037 0.102 0.000 0.697 422 A CB -0.886 18.174 19.000 0.100 0.000 0.774 422 A HN 0.676 nan 8.150 nan 0.000 0.492 423 M N -1.114 118.478 119.600 -0.014 0.000 2.563 423 M HA 0.115 4.595 4.480 0.001 0.000 0.231 423 M C -0.293 176.059 176.300 0.086 0.000 1.136 423 M CA 0.394 55.691 55.300 -0.007 0.000 1.026 423 M CB -0.015 32.562 32.600 -0.038 0.000 1.597 423 M HN 0.541 nan 8.290 nan 0.000 0.495 424 Y N -0.446 119.867 120.300 0.021 0.000 2.928 424 Y HA 0.276 4.826 4.550 0.001 0.000 0.390 424 Y C 1.319 177.091 175.900 -0.213 0.000 1.101 424 Y CA -0.770 57.302 58.100 -0.046 0.000 1.777 424 Y CB 0.020 38.532 38.460 0.086 0.000 1.720 424 Y HN 0.332 nan 8.280 nan 0.000 0.484 425 A N 0.286 123.013 122.820 -0.154 0.000 2.063 425 A HA -0.039 4.282 4.320 0.001 0.000 0.211 425 A C 1.651 178.853 177.584 -0.636 0.000 1.177 425 A CA 0.033 51.647 52.037 -0.706 0.000 0.759 425 A CB -0.217 18.718 19.000 -0.108 0.000 0.857 425 A HN 0.612 nan 8.150 nan 0.000 0.468 426 L N 0.346 121.438 121.223 -0.218 0.000 2.757 426 L HA -0.004 4.336 4.340 0.001 0.000 0.243 426 L C -0.181 176.548 176.870 -0.234 0.000 1.182 426 L CA 1.073 55.829 54.840 -0.141 0.000 0.851 426 L CB -0.580 41.484 42.059 0.008 0.000 0.989 426 L HN 0.377 nan 8.230 nan 0.000 0.457 427 N N -0.693 117.759 118.700 -0.413 0.000 2.827 427 N HA 0.081 4.821 4.740 0.001 0.000 0.240 427 N C -1.532 173.774 175.510 -0.340 0.000 1.352 427 N CA -0.354 52.473 53.050 -0.372 0.000 0.760 427 N CB 0.667 38.887 38.487 -0.445 0.000 1.426 427 N HN -0.002 nan 8.380 nan 0.000 0.561 428 Y N 1.167 121.456 120.300 -0.018 0.000 2.602 428 Y HA 0.392 4.942 4.550 0.001 0.000 0.373 428 Y C 0.218 176.113 175.900 -0.009 0.000 0.960 428 Y CA -0.989 57.113 58.100 0.003 0.000 1.281 428 Y CB -0.088 38.380 38.460 0.014 0.000 1.308 428 Y HN 0.343 nan 8.280 nan 0.000 0.595 429 N N 0.032 118.801 118.700 0.116 0.000 2.471 429 N HA 0.062 4.803 4.740 0.001 0.000 0.264 429 N C 0.824 176.352 175.510 0.030 0.000 1.493 429 N CA -0.089 52.993 53.050 0.053 0.000 0.932 429 N CB 0.493 38.985 38.487 0.008 0.000 1.405 429 N HN 0.409 nan 8.380 nan 0.000 0.505 430 R N -0.059 120.477 120.500 0.060 0.000 1.963 430 R HA 0.714 5.055 4.340 0.001 0.000 0.193 430 R C 1.534 177.882 176.300 0.080 0.000 1.437 430 R CA 0.867 57.004 56.100 0.063 0.000 1.176 430 R CB -0.404 29.949 30.300 0.088 0.000 0.864 430 R HN 0.005 nan 8.270 nan 0.000 0.495 431 L N -1.442 119.846 121.223 0.108 0.000 1.371 431 L HA 0.116 4.456 4.340 0.001 0.000 0.032 431 L C 1.040 177.975 176.870 0.107 0.000 1.720 431 L CA 0.368 55.266 54.840 0.096 0.000 0.989 431 L CB -2.017 40.098 42.059 0.093 0.000 1.793 431 L HN 0.976 nan 8.230 nan 0.000 0.392 432 H N 0.369 119.524 119.070 0.141 0.000 3.144 432 H HA 0.525 5.081 4.556 0.001 0.000 0.336 432 H C 1.793 177.149 175.328 0.047 0.000 1.065 432 H CA 2.429 58.538 56.048 0.100 0.000 1.338 432 H CB -0.681 29.158 29.762 0.130 0.000 1.251 432 H HN 2.644 nan 8.280 nan 0.000 0.602 433 K N -0.470 119.942 120.400 0.021 0.000 3.177 433 K HA -0.130 4.190 4.320 0.001 0.000 0.266 433 K C 0.770 177.377 176.600 0.011 0.000 0.937 433 K CA 2.296 58.586 56.287 0.005 0.000 0.702 433 K CB -2.918 29.573 32.500 -0.016 0.000 1.365 433 K HN 2.462 nan 8.250 nan 0.000 0.466 434 N N 0.675 119.387 118.700 0.020 0.000 2.178 434 N HA 0.616 5.356 4.740 0.001 0.000 0.217 434 N C -0.563 174.952 175.510 0.009 0.000 1.342 434 N CA 0.546 53.607 53.050 0.019 0.000 0.884 434 N CB -0.378 38.123 38.487 0.023 0.000 1.105 434 N HN 0.797 nan 8.380 nan 0.000 0.444 435 P HA 0.000 nan 4.420 nan 0.000 0.216 435 P CA 0.000 63.101 63.100 0.002 0.000 0.800 435 P CB 0.000 31.700 31.700 -0.001 0.000 0.726