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 3i2k_1_A DATA FIRST_RESID 2 DATA SEQUENCE VDGNYSVASN VMVPMRDGVR LAVDLYRPDA DGPVPVLLVR NPYDKFDVFA DATA SEQUENCE WSTQSTNWLE FVRDGYAVVI QDTRGLFASE GEFVPHVDDE ADAEDTLSWI DATA SEQUENCE LEQAWCDGNV GMFGVSYLGV TQWQAAVSGV GGLKAIAPSM ASADLYRAPW DATA SEQUENCE YGPGGALSVE ALLGWSALIG TGLITSRSDA RPEDAADFVQ LAAILNDVAG DATA SEQUENCE AASVTPLAEQ PLLGRLIPWV IDQVVDHPDN DESWQSISLF ERLGGLATPA DATA SEQUENCE LITAGWYDGF VGESLRTFVA VKDNADARLV VGPWSHSNLT GRNADRKFGI DATA SEQUENCE AATYPIQEAT TMHKAFFDRH LRGETDALAG VPKVRLFVMG IDEWRDETDW DATA SEQUENCE PLPDTAYTPF YLGGSGAANT STGGGTLSTS ISGTESADTY LYDPADPVPS DATA SEQUENCE LGGTLLFHNG DNGPADQRPI HDRDDVLCYS TEVLTDPVEV TGTVSARLFV DATA SEQUENCE SSSAVDTDFT AKLVDVFPDG RAIALCDGIV RMRYRETLVN PTLIEAGEIY DATA SEQUENCE EVAIDMLATS NVFLPGHRIM VQVSSSNFPK YDRNSNTGGV IAREQLEEMC DATA SEQUENCE TAVNRIHRGP EHPSHIVLPI IKRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.121 176.094 0.045 0.000 1.182 2 V CA 0.000 62.318 62.300 0.029 0.000 1.235 2 V CB 0.000 31.835 31.823 0.020 0.000 1.184 3 D N 3.202 123.628 120.400 0.043 0.000 2.458 3 D HA 0.494 5.135 4.640 0.000 0.000 0.243 3 D C 1.228 177.568 176.300 0.067 0.000 1.146 3 D CA 2.121 56.155 54.000 0.056 0.000 0.877 3 D CB 1.330 42.157 40.800 0.045 0.000 1.176 3 D HN 1.214 nan 8.370 nan 0.000 0.461 4 G N 2.142 111.001 108.800 0.098 0.000 2.213 4 G HA2 -0.257 3.703 3.960 0.000 0.000 0.236 4 G HA3 -0.257 3.703 3.960 0.000 0.000 0.236 4 G C 0.390 175.390 174.900 0.168 0.000 0.991 4 G CA -0.391 44.782 45.100 0.121 0.000 0.629 4 G HN 0.501 nan 8.290 nan 0.000 0.517 5 N N 0.150 118.933 118.700 0.138 0.000 2.489 5 N HA 0.772 5.512 4.740 0.000 0.000 0.284 5 N C -0.305 175.334 175.510 0.216 0.000 1.158 5 N CA 0.176 53.288 53.050 0.103 0.000 0.965 5 N CB 1.166 39.667 38.487 0.023 0.000 1.195 5 N HN 0.710 nan 8.380 nan 0.000 0.506 6 Y N -2.852 117.473 120.300 0.042 0.000 2.689 6 Y HA 0.686 5.236 4.550 0.000 0.000 0.333 6 Y C -0.894 175.022 175.900 0.027 0.000 1.208 6 Y CA -1.321 56.809 58.100 0.050 0.000 1.055 6 Y CB 0.586 39.107 38.460 0.102 0.000 1.304 6 Y HN 0.455 nan 8.280 nan 0.000 0.455 7 S N 0.403 116.215 115.700 0.187 0.000 2.599 7 S HA 0.895 5.366 4.470 0.000 0.000 0.294 7 S C -1.719 172.934 174.600 0.087 0.000 1.094 7 S CA -0.742 57.489 58.200 0.052 0.000 0.931 7 S CB 1.846 65.042 63.200 -0.007 0.000 1.093 7 S HN 0.898 nan 8.310 nan 0.000 0.488 8 V N 1.095 120.989 119.914 -0.033 0.000 2.483 8 V HA 0.796 4.916 4.120 0.000 0.000 0.297 8 V C -0.084 175.924 176.094 -0.143 0.000 1.027 8 V CA -0.576 61.618 62.300 -0.177 0.000 0.855 8 V CB 1.130 32.798 31.823 -0.258 0.000 0.995 8 V HN 1.240 nan 8.190 nan 0.000 0.424 9 A N 3.485 126.217 122.820 -0.146 0.000 2.303 9 A HA 0.830 5.150 4.320 0.000 0.000 0.320 9 A C 0.022 177.583 177.584 -0.037 0.000 1.192 9 A CA -0.386 51.611 52.037 -0.067 0.000 0.821 9 A CB 1.078 20.054 19.000 -0.041 0.000 1.188 9 A HN 0.704 nan 8.150 nan 0.000 0.492 10 S N 2.126 117.839 115.700 0.022 0.000 2.525 10 S HA 0.453 4.923 4.470 0.000 0.000 0.290 10 S C 0.145 174.801 174.600 0.094 0.000 1.152 10 S CA -0.615 57.653 58.200 0.114 0.000 1.072 10 S CB 0.625 63.955 63.200 0.217 0.000 1.027 10 S HN 0.750 nan 8.310 nan 0.000 0.500 11 N N 0.385 119.122 118.700 0.062 0.000 2.738 11 N HA -0.129 4.611 4.740 0.000 0.000 0.249 11 N C -0.751 174.760 175.510 0.001 0.000 1.047 11 N CA 0.284 53.337 53.050 0.005 0.000 0.707 11 N CB -1.504 37.008 38.487 0.041 0.000 0.937 11 N HN 0.371 nan 8.380 nan 0.000 0.545 12 V N 1.365 121.279 119.914 -0.000 0.000 2.508 12 V HA 0.137 4.257 4.120 0.000 0.000 0.281 12 V C 0.946 176.979 176.094 -0.102 0.000 1.041 12 V CA 0.106 62.408 62.300 0.003 0.000 1.016 12 V CB 0.973 32.849 31.823 0.087 0.000 0.984 12 V HN 0.143 nan 8.190 nan 0.000 0.478 13 M N 5.770 125.310 119.600 -0.099 0.000 2.113 13 M HA 0.399 4.879 4.480 0.000 0.000 0.352 13 M C -0.627 175.511 176.300 -0.271 0.000 1.170 13 M CA -0.423 54.784 55.300 -0.155 0.000 1.053 13 M CB 1.079 33.630 32.600 -0.082 0.000 1.601 13 M HN 0.308 nan 8.290 nan 0.000 0.459 14 V N 7.012 126.683 119.914 -0.405 0.000 2.347 14 V HA 0.391 4.512 4.120 0.000 0.000 0.280 14 V C -2.052 173.846 176.094 -0.327 0.000 1.021 14 V CA -1.514 60.401 62.300 -0.642 0.000 0.847 14 V CB 1.615 32.883 31.823 -0.925 0.000 0.990 14 V HN 0.601 nan 8.190 nan 0.000 0.444 15 P HA 0.286 nan 4.420 nan 0.000 0.281 15 P C -0.502 176.763 177.300 -0.059 0.000 1.252 15 P CA -0.355 62.691 63.100 -0.090 0.000 0.778 15 P CB 0.925 32.609 31.700 -0.026 0.000 0.895 16 M N 3.168 122.740 119.600 -0.045 0.000 2.245 16 M HA 0.227 4.708 4.480 0.000 0.000 0.292 16 M C 2.160 178.460 176.300 -0.001 0.000 1.176 16 M CA -0.429 54.859 55.300 -0.020 0.000 1.035 16 M CB 0.163 32.750 32.600 -0.021 0.000 1.440 16 M HN 0.411 nan 8.290 nan 0.000 0.494 17 R N 0.689 121.193 120.500 0.008 0.000 2.159 17 R HA -0.158 4.182 4.340 0.000 0.000 0.237 17 R C 0.490 176.794 176.300 0.007 0.000 1.131 17 R CA 1.926 58.034 56.100 0.012 0.000 0.982 17 R CB -0.599 29.709 30.300 0.014 0.000 0.868 17 R HN 0.680 nan 8.270 nan 0.000 0.453 18 D N -0.668 119.733 120.400 0.002 0.000 2.328 18 D HA 0.099 4.739 4.640 0.000 0.000 0.221 18 D C 1.157 177.455 176.300 -0.003 0.000 1.072 18 D CA 0.566 54.566 54.000 -0.000 0.000 0.850 18 D CB 0.440 41.239 40.800 -0.002 0.000 0.922 18 D HN 0.451 nan 8.370 nan 0.000 0.516 19 G N -0.331 108.466 108.800 -0.004 0.000 2.217 19 G HA2 -0.281 3.679 3.960 0.000 0.000 0.246 19 G HA3 -0.281 3.679 3.960 0.000 0.000 0.246 19 G C 0.252 175.142 174.900 -0.016 0.000 0.990 19 G CA 0.158 45.254 45.100 -0.007 0.000 0.627 19 G HN 0.385 nan 8.290 nan 0.000 0.522 20 V N 2.227 122.130 119.914 -0.019 0.000 2.572 20 V HA 0.355 4.475 4.120 0.000 0.000 0.291 20 V C 1.061 177.130 176.094 -0.043 0.000 1.039 20 V CA 0.173 62.457 62.300 -0.027 0.000 1.055 20 V CB 0.979 32.789 31.823 -0.022 0.000 0.969 20 V HN 0.396 nan 8.190 nan 0.000 0.482 21 R N 4.427 124.895 120.500 -0.052 0.000 2.346 21 R HA 0.562 4.903 4.340 0.000 0.000 0.311 21 R C -1.290 174.956 176.300 -0.090 0.000 0.983 21 R CA -0.858 55.194 56.100 -0.081 0.000 0.880 21 R CB 1.237 31.490 30.300 -0.077 0.000 1.100 21 R HN 0.397 nan 8.270 nan 0.000 0.453 22 L N 2.149 123.299 121.223 -0.122 0.000 2.309 22 L HA 0.427 4.767 4.340 0.000 0.000 0.282 22 L C 0.137 176.913 176.870 -0.156 0.000 1.036 22 L CA -0.259 54.510 54.840 -0.119 0.000 0.806 22 L CB 1.709 43.704 42.059 -0.106 0.000 1.220 22 L HN 0.716 nan 8.230 nan 0.000 0.429 23 A N 3.483 126.224 122.820 -0.132 0.000 2.366 23 A HA 0.656 4.977 4.320 0.000 0.000 0.272 23 A C -0.318 177.179 177.584 -0.145 0.000 1.135 23 A CA -0.338 51.615 52.037 -0.141 0.000 0.804 23 A CB 0.465 19.384 19.000 -0.136 0.000 1.064 23 A HN 0.706 nan 8.150 nan 0.000 0.499 24 V N -0.226 119.608 119.914 -0.132 0.000 3.001 24 V HA 0.756 4.877 4.120 0.000 0.000 0.314 24 V C -1.189 174.894 176.094 -0.019 0.000 1.099 24 V CA -1.088 61.167 62.300 -0.075 0.000 0.989 24 V CB 2.154 33.943 31.823 -0.056 0.000 1.040 24 V HN 0.683 nan 8.190 nan 0.000 0.434 25 D N 2.823 123.248 120.400 0.041 0.000 2.192 25 D HA 0.647 5.287 4.640 0.000 0.000 0.246 25 D C -0.608 175.746 176.300 0.090 0.000 1.042 25 D CA 0.024 54.060 54.000 0.061 0.000 0.847 25 D CB 2.042 42.919 40.800 0.128 0.000 1.186 25 D HN 0.651 nan 8.370 nan 0.000 0.461 26 L N 2.505 123.711 121.223 -0.027 0.000 2.298 26 L HA 0.351 4.692 4.340 0.000 0.000 0.284 26 L C -0.857 175.929 176.870 -0.138 0.000 1.013 26 L CA -0.921 53.893 54.840 -0.043 0.000 0.824 26 L CB 0.644 42.604 42.059 -0.165 0.000 1.221 26 L HN 0.245 nan 8.230 nan 0.000 0.418 27 Y N 3.049 123.367 120.300 0.030 0.000 2.504 27 Y HA 0.447 4.997 4.550 0.000 0.000 0.339 27 Y C 0.153 176.058 175.900 0.008 0.000 0.974 27 Y CA -0.531 57.626 58.100 0.095 0.000 1.232 27 Y CB 0.791 39.358 38.460 0.179 0.000 1.108 27 Y HN 0.421 nan 8.280 nan 0.000 0.509 28 R N 4.799 125.352 120.500 0.088 0.000 2.480 28 R HA 0.417 4.757 4.340 0.000 0.000 0.306 28 R C -2.830 173.541 176.300 0.119 0.000 0.958 28 R CA -2.142 53.952 56.100 -0.010 0.000 0.861 28 R CB 1.649 31.797 30.300 -0.254 0.000 1.171 28 R HN 0.312 nan 8.270 nan 0.000 0.445 29 P HA -0.011 nan 4.420 nan 0.000 0.271 29 P C -0.858 176.512 177.300 0.118 0.000 1.218 29 P CA -0.264 62.935 63.100 0.165 0.000 0.780 29 P CB 0.636 32.417 31.700 0.134 0.000 0.901 30 D N 1.368 121.838 120.400 0.117 0.000 2.357 30 D HA 0.294 4.934 4.640 0.000 0.000 0.265 30 D C 0.166 176.504 176.300 0.062 0.000 1.334 30 D CA 0.784 54.828 54.000 0.072 0.000 0.984 30 D CB -0.466 40.368 40.800 0.057 0.000 1.077 30 D HN 0.293 nan 8.370 nan 0.000 0.514 31 A N 2.964 125.820 122.820 0.060 0.000 2.343 31 A HA 0.347 4.667 4.320 0.000 0.000 0.308 31 A C -0.515 177.101 177.584 0.053 0.000 1.092 31 A CA -0.973 51.098 52.037 0.057 0.000 0.751 31 A CB 1.177 20.218 19.000 0.069 0.000 1.203 31 A HN 0.171 nan 8.150 nan 0.000 0.452 32 D N 1.737 122.161 120.400 0.040 0.000 2.348 32 D HA 0.467 5.107 4.640 0.000 0.000 0.253 32 D C 0.814 177.135 176.300 0.036 0.000 1.161 32 D CA 1.811 55.832 54.000 0.035 0.000 0.876 32 D CB 1.115 41.929 40.800 0.025 0.000 1.160 32 D HN 1.311 nan 8.370 nan 0.000 0.459 33 G N 3.096 111.920 108.800 0.040 0.000 2.722 33 G HA2 -0.127 3.833 3.960 0.000 0.000 0.686 33 G HA3 -0.127 3.833 3.960 0.000 0.000 0.686 33 G C -2.804 172.126 174.900 0.050 0.000 1.282 33 G CA -1.186 43.934 45.100 0.034 0.000 0.817 33 G HN 0.361 nan 8.290 nan 0.000 0.605 34 P HA 0.481 nan 4.420 nan 0.000 0.270 34 P C 0.403 177.732 177.300 0.048 0.000 1.223 34 P CA 0.361 63.496 63.100 0.059 0.000 0.785 34 P CB 1.265 32.966 31.700 0.002 0.000 0.923 35 V N -3.222 116.742 119.914 0.084 0.000 3.102 35 V HA 0.682 4.802 4.120 0.000 0.000 0.312 35 V C -2.734 173.384 176.094 0.040 0.000 1.135 35 V CA -3.142 59.182 62.300 0.040 0.000 1.022 35 V CB 1.644 33.508 31.823 0.067 0.000 1.056 35 V HN 0.369 nan 8.190 nan 0.000 0.436 36 P HA 0.353 nan 4.420 nan 0.000 0.272 36 P C -0.902 176.497 177.300 0.165 0.000 1.223 36 P CA -0.047 63.062 63.100 0.015 0.000 0.784 36 P CB 1.408 33.051 31.700 -0.095 0.000 0.923 37 V N 3.012 123.038 119.914 0.188 0.000 2.709 37 V HA 0.403 4.523 4.120 0.000 0.000 0.308 37 V C 0.164 176.335 176.094 0.129 0.000 1.062 37 V CA -0.707 61.735 62.300 0.237 0.000 0.901 37 V CB 1.895 33.882 31.823 0.273 0.000 1.003 37 V HN 0.352 nan 8.190 nan 0.000 0.425 38 L N 4.814 126.113 121.223 0.125 0.000 2.341 38 L HA 0.658 4.998 4.340 0.000 0.000 0.278 38 L C -0.890 176.026 176.870 0.076 0.000 1.005 38 L CA -0.650 54.208 54.840 0.030 0.000 0.818 38 L CB 1.830 43.906 42.059 0.030 0.000 1.259 38 L HN 0.470 nan 8.230 nan 0.000 0.418 39 L N 4.166 125.388 121.223 -0.002 0.000 2.329 39 L HA 0.744 5.084 4.340 0.000 0.000 0.279 39 L C -0.916 175.813 176.870 -0.235 0.000 1.014 39 L CA -0.318 54.489 54.840 -0.056 0.000 0.814 39 L CB 1.993 44.050 42.059 -0.003 0.000 1.257 39 L HN 0.290 nan 8.230 nan 0.000 0.424 40 V N 5.246 124.964 119.914 -0.326 0.000 2.531 40 V HA 0.597 4.717 4.120 0.000 0.000 0.301 40 V C -0.403 175.485 176.094 -0.343 0.000 1.034 40 V CA -0.664 61.331 62.300 -0.508 0.000 0.865 40 V CB 1.755 33.093 31.823 -0.808 0.000 0.995 40 V HN 0.709 nan 8.190 nan 0.000 0.424 41 R N 3.503 123.827 120.500 -0.293 0.000 2.310 41 R HA 0.499 4.839 4.340 0.000 0.000 0.324 41 R C -0.582 175.604 176.300 -0.191 0.000 0.955 41 R CA -0.365 55.628 56.100 -0.177 0.000 0.830 41 R CB 1.690 31.945 30.300 -0.075 0.000 1.154 41 R HN 0.794 nan 8.270 nan 0.000 0.458 42 N N 3.656 122.226 118.700 -0.217 0.000 2.410 42 N HA 0.282 5.022 4.740 0.000 0.000 0.287 42 N C -2.165 173.148 175.510 -0.328 0.000 1.044 42 N CA -1.919 50.952 53.050 -0.299 0.000 0.881 42 N CB 2.085 40.371 38.487 -0.334 0.000 1.405 42 N HN 0.263 nan 8.380 nan 0.000 0.490 43 P HA 0.126 nan 4.420 nan 0.000 0.262 43 P C -0.687 176.258 177.300 -0.592 0.000 1.304 43 P CA 0.272 62.936 63.100 -0.727 0.000 0.859 43 P CB -0.057 30.941 31.700 -1.170 0.000 1.310 44 Y N -0.069 120.155 120.300 -0.127 0.000 2.734 44 Y HA 0.397 4.948 4.550 0.000 0.000 0.278 44 Y C 0.055 175.717 175.900 -0.396 0.000 1.108 44 Y CA -1.354 56.683 58.100 -0.106 0.000 1.211 44 Y CB -0.409 38.040 38.460 -0.018 0.000 1.182 44 Y HN -0.089 nan 8.280 nan 0.000 0.547 45 D N 1.459 121.478 120.400 -0.636 0.000 4.874 45 D HA -0.181 4.460 4.640 0.000 0.000 0.228 45 D C 0.862 176.955 176.300 -0.346 0.000 1.423 45 D CA 0.658 54.070 54.000 -0.981 0.000 1.130 45 D CB 0.326 40.273 40.800 -1.422 0.000 0.564 45 D HN 0.610 nan 8.370 nan 0.000 0.272 46 K N 2.336 122.568 120.400 -0.280 0.000 2.211 46 K HA -0.184 4.137 4.320 0.000 0.000 0.204 46 K C 1.841 178.492 176.600 0.085 0.000 1.047 46 K CA 1.181 57.415 56.287 -0.089 0.000 0.935 46 K CB -0.296 32.122 32.500 -0.137 0.000 0.728 46 K HN 0.285 nan 8.250 nan 0.000 0.452 47 F N 2.210 122.130 119.950 -0.050 0.000 2.269 47 F HA -0.065 4.462 4.527 0.000 0.000 0.301 47 F C 1.034 176.790 175.800 -0.072 0.000 1.082 47 F CA 0.584 58.561 58.000 -0.037 0.000 1.360 47 F CB -0.632 38.321 39.000 -0.078 0.000 1.041 47 F HN 0.112 nan 8.300 nan 0.000 0.512 48 D N 0.625 121.087 120.400 0.104 0.000 2.619 48 D HA 0.102 4.742 4.640 0.000 0.000 0.224 48 D C 1.402 177.749 176.300 0.079 0.000 1.133 48 D CA 0.070 54.080 54.000 0.017 0.000 1.017 48 D CB 0.236 41.039 40.800 0.005 0.000 1.077 48 D HN 0.094 nan 8.370 nan 0.000 0.503 49 V N 0.145 120.034 119.914 -0.040 0.000 2.667 49 V HA -0.075 4.046 4.120 0.000 0.000 0.252 49 V C 1.792 177.771 176.094 -0.191 0.000 1.065 49 V CA 0.813 63.099 62.300 -0.024 0.000 1.083 49 V CB -0.998 30.898 31.823 0.121 0.000 0.692 49 V HN 0.153 nan 8.190 nan 0.000 0.468 50 F N 1.907 121.785 119.950 -0.120 0.000 2.407 50 F HA 0.325 4.852 4.527 0.000 0.000 0.299 50 F C 2.602 178.310 175.800 -0.153 0.000 1.097 50 F CA 0.299 58.196 58.000 -0.171 0.000 1.422 50 F CB -1.405 37.532 39.000 -0.106 0.000 1.067 50 F HN 0.260 nan 8.300 nan 0.000 0.539 51 A N 0.591 123.465 122.820 0.089 0.000 1.930 51 A HA -0.151 4.170 4.320 0.000 0.000 0.217 51 A C 2.013 179.660 177.584 0.104 0.000 1.175 51 A CA 1.613 53.709 52.037 0.098 0.000 0.627 51 A CB -1.054 18.025 19.000 0.131 0.000 0.815 51 A HN 0.649 nan 8.150 nan 0.000 0.443 52 W N -2.171 119.159 121.300 0.050 0.000 2.915 52 W HA 0.279 4.939 4.660 0.000 0.000 0.276 52 W C 1.198 177.739 176.519 0.036 0.000 1.215 52 W CA 0.699 58.052 57.345 0.015 0.000 1.514 52 W CB -0.704 28.781 29.460 0.042 0.000 1.017 52 W HN 0.213 nan 8.180 nan 0.000 0.598 53 S N 1.791 117.077 115.700 -0.689 0.000 2.423 53 S HA -0.184 4.286 4.470 0.000 0.000 0.231 53 S C 1.952 176.403 174.600 -0.249 0.000 1.014 53 S CA 2.406 60.190 58.200 -0.695 0.000 0.965 53 S CB -0.625 62.183 63.200 -0.654 0.000 0.785 53 S HN 0.429 nan 8.310 nan 0.000 0.495 54 T N -0.335 114.099 114.554 -0.201 0.000 3.051 54 T HA -0.022 4.329 4.350 0.000 0.000 0.269 54 T C 1.259 175.832 174.700 -0.212 0.000 1.127 54 T CA 0.795 62.798 62.100 -0.162 0.000 1.107 54 T CB -0.250 68.530 68.868 -0.147 0.000 0.898 54 T HN 0.193 nan 8.240 nan 0.000 0.517 55 Q N 0.183 119.833 119.800 -0.250 0.000 2.280 55 Q HA 0.433 4.773 4.340 0.000 0.000 0.201 55 Q C 1.841 177.506 176.000 -0.558 0.000 0.890 55 Q CA 0.117 55.604 55.803 -0.526 0.000 0.947 55 Q CB 0.665 29.173 28.738 -0.383 0.000 1.081 55 Q HN 0.553 nan 8.270 nan 0.000 0.502 56 S N -1.005 114.615 115.700 -0.134 0.000 3.600 56 S HA 0.391 4.861 4.470 0.000 0.000 0.179 56 S C -0.027 174.686 174.600 0.188 0.000 0.816 56 S CA 0.662 58.942 58.200 0.134 0.000 0.916 56 S CB 0.246 63.715 63.200 0.448 0.000 1.164 56 S HN 0.309 nan 8.310 nan 0.000 0.709 57 T N 0.701 115.331 114.554 0.126 0.000 2.840 57 T HA 0.485 4.835 4.350 0.000 0.000 0.317 57 T C -1.728 172.885 174.700 -0.145 0.000 1.401 57 T CA -0.860 61.218 62.100 -0.036 0.000 1.028 57 T CB 1.004 69.781 68.868 -0.153 0.000 1.317 57 T HN 0.187 nan 8.240 nan 0.000 0.495 58 N N 2.406 120.924 118.700 -0.304 0.000 3.245 58 N HA 0.115 4.855 4.740 0.000 0.000 0.296 58 N C 1.123 176.216 175.510 -0.694 0.000 1.254 58 N CA -0.515 52.264 53.050 -0.452 0.000 1.190 58 N CB -0.064 38.221 38.487 -0.336 0.000 1.460 58 N HN 0.793 nan 8.380 nan 0.000 0.538 59 W N 0.125 120.999 121.300 -0.710 0.000 2.699 59 W HA 0.031 4.691 4.660 0.000 0.000 0.249 59 W C 0.532 176.619 176.519 -0.719 0.000 1.280 59 W CA -0.202 56.449 57.345 -1.157 0.000 1.345 59 W CB -0.656 28.456 29.460 -0.580 0.000 1.128 59 W HN 0.188 nan 8.180 nan 0.000 0.642 60 L N 1.297 122.000 121.223 -0.866 0.000 2.265 60 L HA -0.171 4.169 4.340 0.000 0.000 0.215 60 L C 2.527 179.202 176.870 -0.324 0.000 1.117 60 L CA 1.474 55.960 54.840 -0.591 0.000 0.782 60 L CB -0.655 41.046 42.059 -0.597 0.000 0.914 60 L HN 0.009 nan 8.230 nan 0.000 0.441 61 E N -0.210 119.776 120.200 -0.356 0.000 2.153 61 E HA -0.204 4.147 4.350 0.000 0.000 0.194 61 E C 2.077 178.709 176.600 0.054 0.000 0.988 61 E CA 1.084 57.388 56.400 -0.161 0.000 0.811 61 E CB -0.069 29.520 29.700 -0.185 0.000 0.746 61 E HN 0.410 nan 8.360 nan 0.000 0.466 62 F N 0.195 120.159 119.950 0.023 0.000 2.146 62 F HA -0.146 4.382 4.527 0.001 0.000 0.298 62 F C 2.341 178.258 175.800 0.196 0.000 1.096 62 F CA 0.498 58.554 58.000 0.095 0.000 1.275 62 F CB -1.205 37.760 39.000 -0.059 0.000 1.008 62 F HN -0.129 nan 8.300 nan 0.000 0.480 63 V N 0.406 120.463 119.914 0.238 0.000 2.358 63 V HA -0.224 3.896 4.120 0.000 0.000 0.246 63 V C 2.344 178.486 176.094 0.079 0.000 1.047 63 V CA 1.638 63.992 62.300 0.090 0.000 1.035 63 V CB -0.707 30.976 31.823 -0.233 0.000 0.658 63 V HN 0.238 nan 8.190 nan 0.000 0.452 64 R N 0.035 120.572 120.500 0.062 0.000 2.237 64 R HA -0.122 4.219 4.340 0.000 0.000 0.219 64 R C 1.477 177.863 176.300 0.143 0.000 1.080 64 R CA 1.315 57.496 56.100 0.134 0.000 0.995 64 R CB -0.218 30.149 30.300 0.112 0.000 0.875 64 R HN 0.496 nan 8.270 nan 0.000 0.462 65 D N -1.101 119.411 120.400 0.186 0.000 2.349 65 D HA 0.075 4.715 4.640 0.000 0.000 0.214 65 D C 0.696 177.089 176.300 0.154 0.000 1.063 65 D CA 0.624 54.739 54.000 0.191 0.000 0.847 65 D CB 0.585 41.547 40.800 0.270 0.000 0.933 65 D HN 0.275 nan 8.370 nan 0.000 0.513 66 G N -0.430 108.460 108.800 0.150 0.000 2.148 66 G HA2 -0.238 3.722 3.960 0.000 0.000 0.203 66 G HA3 -0.238 3.722 3.960 0.000 0.000 0.203 66 G C -0.280 174.610 174.900 -0.017 0.000 0.993 66 G CA -0.353 44.777 45.100 0.050 0.000 0.661 66 G HN 0.265 nan 8.290 nan 0.000 0.518 67 Y N 1.034 121.404 120.300 0.117 0.000 2.310 67 Y HA 0.632 5.183 4.550 0.001 0.000 0.326 67 Y C 0.884 176.867 175.900 0.138 0.000 1.151 67 Y CA 0.142 58.310 58.100 0.114 0.000 1.195 67 Y CB 1.497 40.017 38.460 0.101 0.000 1.210 67 Y HN 0.418 nan 8.280 nan 0.000 0.483 68 A N 2.478 125.478 122.820 0.299 0.000 2.316 68 A HA 0.685 5.005 4.320 0.000 0.000 0.284 68 A C -0.977 176.782 177.584 0.292 0.000 1.115 68 A CA -0.524 51.666 52.037 0.254 0.000 0.812 68 A CB 0.453 19.592 19.000 0.231 0.000 1.064 68 A HN 0.534 nan 8.150 nan 0.000 0.489 69 V N 2.430 122.508 119.914 0.273 0.000 2.588 69 V HA 0.436 4.556 4.120 0.000 0.000 0.304 69 V C -0.572 175.673 176.094 0.252 0.000 1.042 69 V CA -0.471 61.968 62.300 0.232 0.000 0.877 69 V CB 1.746 33.654 31.823 0.142 0.000 0.996 69 V HN 0.652 nan 8.190 nan 0.000 0.425 70 V N 6.265 126.291 119.914 0.186 0.000 2.384 70 V HA 0.543 4.664 4.120 0.000 0.000 0.287 70 V C -0.275 175.854 176.094 0.058 0.000 1.020 70 V CA -0.385 62.033 62.300 0.198 0.000 0.850 70 V CB 1.657 33.646 31.823 0.276 0.000 0.987 70 V HN 0.672 nan 8.190 nan 0.000 0.436 71 I N 4.603 125.223 120.570 0.084 0.000 2.406 71 I HA 0.510 4.681 4.170 0.000 0.000 0.290 71 I C -0.255 175.846 176.117 -0.028 0.000 0.999 71 I CA -0.394 60.890 61.300 -0.026 0.000 1.124 71 I CB 1.796 39.816 38.000 0.034 0.000 1.289 71 I HN 0.625 nan 8.210 nan 0.000 0.441 72 Q N 4.936 124.680 119.800 -0.092 0.000 2.337 72 Q HA 0.278 4.619 4.340 0.000 0.000 0.266 72 Q C -1.283 174.643 176.000 -0.123 0.000 1.023 72 Q CA -0.847 54.898 55.803 -0.097 0.000 0.829 72 Q CB 2.022 30.711 28.738 -0.082 0.000 1.306 72 Q HN 0.472 nan 8.270 nan 0.000 0.449 73 D N 3.092 123.417 120.400 -0.125 0.000 2.343 73 D HA 0.072 4.712 4.640 0.000 0.000 0.255 73 D C -0.005 176.249 176.300 -0.076 0.000 1.187 73 D CA 0.259 54.194 54.000 -0.109 0.000 0.875 73 D CB 1.188 41.936 40.800 -0.087 0.000 1.136 73 D HN 0.628 nan 8.370 nan 0.000 0.469 74 T N 0.191 114.704 114.554 -0.068 0.000 2.795 74 T HA 0.036 4.387 4.350 0.000 0.000 0.314 74 T C 0.738 175.453 174.700 0.025 0.000 1.069 74 T CA -0.798 61.304 62.100 0.003 0.000 1.071 74 T CB 0.862 69.773 68.868 0.073 0.000 0.988 74 T HN 0.360 nan 8.240 nan 0.000 0.543 75 R N 0.424 120.965 120.500 0.068 0.000 2.537 75 R HA 0.274 4.614 4.340 0.000 0.000 0.281 75 R C 1.499 177.862 176.300 0.104 0.000 0.988 75 R CA 1.274 57.408 56.100 0.057 0.000 1.077 75 R CB -0.822 29.506 30.300 0.047 0.000 0.932 75 R HN 1.243 nan 8.270 nan 0.000 0.409 76 G N 3.294 112.112 108.800 0.031 0.000 2.159 76 G HA2 -0.258 3.702 3.960 0.000 0.000 0.256 76 G HA3 -0.258 3.702 3.960 0.000 0.000 0.256 76 G C -0.206 174.643 174.900 -0.084 0.000 0.977 76 G CA 0.255 45.365 45.100 0.017 0.000 0.652 76 G HN 0.490 nan 8.290 nan 0.000 0.531 77 L N -1.053 120.090 121.223 -0.133 0.000 2.381 77 L HA 0.746 5.087 4.340 0.000 0.000 0.268 77 L C 1.458 178.256 176.870 -0.120 0.000 0.997 77 L CA -1.268 53.408 54.840 -0.272 0.000 0.818 77 L CB 1.152 43.014 42.059 -0.328 0.000 1.310 77 L HN 0.082 nan 8.230 nan 0.000 0.416 78 F N 0.811 120.660 119.950 -0.168 0.000 2.797 78 F HA -0.453 4.074 4.527 0.001 0.000 0.230 78 F C 1.829 177.547 175.800 -0.136 0.000 1.480 78 F CA 1.776 59.689 58.000 -0.145 0.000 1.923 78 F CB -1.368 37.529 39.000 -0.172 0.000 0.481 78 F HN 0.554 nan 8.300 nan 0.000 0.259 79 A N -0.145 122.696 122.820 0.035 0.000 2.208 79 A HA 0.340 4.660 4.320 0.000 0.000 0.209 79 A C 0.895 178.444 177.584 -0.059 0.000 1.161 79 A CA 1.003 53.012 52.037 -0.048 0.000 0.782 79 A CB -0.467 18.453 19.000 -0.132 0.000 0.816 79 A HN 0.371 nan 8.150 nan 0.000 0.477 80 S N 0.794 116.461 115.700 -0.056 0.000 2.584 80 S HA 0.293 4.764 4.470 0.000 0.000 0.273 80 S C 0.205 174.774 174.600 -0.051 0.000 1.311 80 S CA -0.458 57.706 58.200 -0.060 0.000 1.034 80 S CB 0.755 63.922 63.200 -0.055 0.000 0.939 80 S HN 0.593 nan 8.310 nan 0.000 0.513 81 E N 0.504 120.676 120.200 -0.047 0.000 2.385 81 E HA 0.565 4.915 4.350 0.000 0.000 0.254 81 E C 0.769 177.352 176.600 -0.028 0.000 1.228 81 E CA -0.152 56.226 56.400 -0.038 0.000 0.956 81 E CB 0.362 30.041 29.700 -0.035 0.000 1.116 81 E HN 0.833 nan 8.360 nan 0.000 0.507 82 G N 0.280 109.067 108.800 -0.023 0.000 2.660 82 G HA2 -0.161 3.799 3.960 0.000 0.000 0.215 82 G HA3 -0.161 3.799 3.960 0.000 0.000 0.215 82 G C -1.143 173.753 174.900 -0.007 0.000 1.345 82 G CA -0.755 44.337 45.100 -0.014 0.000 0.877 82 G HN 0.393 nan 8.290 nan 0.000 0.549 83 E N -0.775 119.425 120.200 0.001 0.000 2.187 83 E HA 0.540 4.891 4.350 0.000 0.000 0.268 83 E C -0.967 175.653 176.600 0.034 0.000 0.896 83 E CA -0.749 55.657 56.400 0.010 0.000 0.766 83 E CB 1.955 31.649 29.700 -0.011 0.000 1.142 83 E HN 0.498 nan 8.360 nan 0.000 0.408 84 F N 2.968 122.856 119.950 -0.104 0.000 2.420 84 F HA 0.321 4.849 4.527 0.000 0.000 0.352 84 F C -0.724 174.993 175.800 -0.139 0.000 1.108 84 F CA -0.469 57.452 58.000 -0.131 0.000 1.162 84 F CB 0.624 39.516 39.000 -0.179 0.000 1.118 84 F HN 0.092 nan 8.300 nan 0.000 0.510 85 V N 7.640 127.004 119.914 -0.917 0.000 2.623 85 V HA 0.339 4.459 4.120 0.000 0.000 0.304 85 V C -2.295 173.036 176.094 -1.271 0.000 1.054 85 V CA -2.030 59.707 62.300 -0.939 0.000 0.882 85 V CB 1.867 33.454 31.823 -0.392 0.000 1.002 85 V HN 0.636 nan 8.190 nan 0.000 0.424 86 P HA 0.132 nan 4.420 nan 0.000 0.264 86 P C 0.336 177.289 177.300 -0.578 0.000 1.183 86 P CA 0.785 63.221 63.100 -1.107 0.000 0.763 86 P CB 0.137 30.911 31.700 -1.543 0.000 0.807 87 H N -0.343 118.733 119.070 0.010 0.000 4.880 87 H HA -0.192 4.365 4.556 0.000 0.000 0.084 87 H C 1.318 176.655 175.328 0.015 0.000 0.577 87 H CA 1.859 57.932 56.048 0.042 0.000 1.124 87 H CB -2.299 27.549 29.762 0.143 0.000 0.507 87 H HN 0.372 nan 8.280 nan 0.000 0.707 88 V N -0.918 119.037 119.914 0.070 0.000 2.809 88 V HA -0.016 4.104 4.120 0.000 0.000 0.256 88 V C 1.528 177.635 176.094 0.023 0.000 1.080 88 V CA 2.383 64.709 62.300 0.045 0.000 1.102 88 V CB 0.054 31.877 31.823 0.001 0.000 0.705 88 V HN 0.264 nan 8.190 nan 0.000 0.475 89 D N -0.184 120.221 120.400 0.008 0.000 2.398 89 D HA 0.058 4.698 4.640 0.000 0.000 0.210 89 D C 1.251 177.575 176.300 0.039 0.000 1.094 89 D CA 0.399 54.407 54.000 0.014 0.000 0.839 89 D CB 0.326 41.122 40.800 -0.006 0.000 0.963 89 D HN 0.494 nan 8.370 nan 0.000 0.506 90 D N 1.202 121.640 120.400 0.064 0.000 2.234 90 D HA -0.070 4.570 4.640 0.000 0.000 0.205 90 D C 1.692 178.025 176.300 0.055 0.000 0.962 90 D CA 0.550 54.594 54.000 0.073 0.000 0.855 90 D CB 0.416 41.273 40.800 0.096 0.000 0.951 90 D HN 0.359 nan 8.370 nan 0.000 0.500 91 E N 1.121 121.354 120.200 0.056 0.000 2.031 91 E HA -0.141 4.210 4.350 0.000 0.000 0.193 91 E C 2.159 178.783 176.600 0.039 0.000 0.994 91 E CA 1.010 57.440 56.400 0.050 0.000 0.800 91 E CB 0.003 29.735 29.700 0.053 0.000 0.752 91 E HN 0.140 nan 8.360 nan 0.000 0.447 92 A N 1.572 124.412 122.820 0.034 0.000 1.898 92 A HA -0.196 4.124 4.320 0.000 0.000 0.216 92 A C 1.703 179.302 177.584 0.025 0.000 1.181 92 A CA 1.700 53.753 52.037 0.027 0.000 0.620 92 A CB -0.336 18.677 19.000 0.021 0.000 0.819 92 A HN 0.093 nan 8.150 nan 0.000 0.442 93 D N 0.091 120.505 120.400 0.024 0.000 2.144 93 D HA -0.000 4.640 4.640 0.000 0.000 0.200 93 D C 2.191 178.503 176.300 0.020 0.000 0.978 93 D CA 1.385 55.395 54.000 0.017 0.000 0.833 93 D CB -0.373 40.438 40.800 0.018 0.000 0.961 93 D HN 0.415 nan 8.370 nan 0.000 0.470 94 A N 0.848 123.684 122.820 0.026 0.000 1.898 94 A HA -0.208 4.112 4.320 0.000 0.000 0.216 94 A C 2.122 179.726 177.584 0.033 0.000 1.181 94 A CA 1.735 53.787 52.037 0.025 0.000 0.620 94 A CB -0.591 18.422 19.000 0.021 0.000 0.819 94 A HN 0.263 nan 8.150 nan 0.000 0.442 95 E N -0.152 120.069 120.200 0.034 0.000 2.058 95 E HA -0.259 4.091 4.350 0.000 0.000 0.194 95 E C 1.258 177.886 176.600 0.046 0.000 0.997 95 E CA 1.565 57.986 56.400 0.036 0.000 0.801 95 E CB -0.153 29.566 29.700 0.032 0.000 0.746 95 E HN 0.537 nan 8.360 nan 0.000 0.450 96 D N -0.365 120.062 120.400 0.045 0.000 2.144 96 D HA -0.108 4.532 4.640 0.000 0.000 0.200 96 D C 1.928 178.285 176.300 0.096 0.000 0.978 96 D CA 1.462 55.498 54.000 0.059 0.000 0.833 96 D CB -0.479 40.343 40.800 0.036 0.000 0.961 96 D HN 0.194 nan 8.370 nan 0.000 0.470 97 T N 1.053 115.652 114.554 0.076 0.000 2.777 97 T HA -0.027 4.323 4.350 0.000 0.000 0.266 97 T C 2.243 177.054 174.700 0.185 0.000 1.040 97 T CA 0.464 62.633 62.100 0.114 0.000 1.141 97 T CB -0.236 68.663 68.868 0.051 0.000 0.868 97 T HN 0.103 nan 8.240 nan 0.000 0.444 98 L N 0.878 122.168 121.223 0.111 0.000 2.046 98 L HA -0.120 4.220 4.340 0.000 0.000 0.208 98 L C 2.876 179.791 176.870 0.075 0.000 1.077 98 L CA 1.019 55.910 54.840 0.086 0.000 0.747 98 L CB -0.640 41.447 42.059 0.046 0.000 0.896 98 L HN 0.228 nan 8.230 nan 0.000 0.432 99 S N -1.030 114.719 115.700 0.082 0.000 2.356 99 S HA -0.251 4.219 4.470 0.000 0.000 0.223 99 S C 1.528 176.170 174.600 0.070 0.000 1.032 99 S CA 1.576 59.810 58.200 0.057 0.000 1.005 99 S CB -0.494 62.743 63.200 0.062 0.000 0.867 99 S HN 0.561 nan 8.310 nan 0.000 0.449 100 W N 2.221 123.497 121.300 -0.041 0.000 2.355 100 W HA -0.082 4.578 4.660 0.001 0.000 0.309 100 W C 1.726 178.183 176.519 -0.104 0.000 1.206 100 W CA 1.118 58.434 57.345 -0.050 0.000 1.284 100 W CB -0.447 29.006 29.460 -0.012 0.000 1.145 100 W HN 0.185 nan 8.180 nan 0.000 0.502 101 I N 0.436 121.043 120.570 0.063 0.000 2.163 101 I HA -0.363 3.807 4.170 0.000 0.000 0.243 101 I C 2.387 178.224 176.117 -0.467 0.000 1.085 101 I CA 1.517 62.667 61.300 -0.249 0.000 1.347 101 I CB -0.803 37.223 38.000 0.043 0.000 1.044 101 I HN 0.004 nan 8.210 nan 0.000 0.408 102 L N 0.214 121.285 121.223 -0.254 0.000 2.191 102 L HA -0.193 4.147 4.340 0.000 0.000 0.212 102 L C 2.305 178.991 176.870 -0.307 0.000 1.103 102 L CA 1.227 55.924 54.840 -0.239 0.000 0.769 102 L CB -0.485 41.499 42.059 -0.125 0.000 0.908 102 L HN 0.285 nan 8.230 nan 0.000 0.438 103 E N -0.768 119.212 120.200 -0.365 0.000 2.358 103 E HA -0.070 4.281 4.350 0.000 0.000 0.195 103 E C 0.442 176.741 176.600 -0.502 0.000 1.010 103 E CA 0.079 56.260 56.400 -0.365 0.000 0.856 103 E CB 0.182 29.697 29.700 -0.309 0.000 0.795 103 E HN 0.430 nan 8.360 nan 0.000 0.504 104 Q N -0.118 119.210 119.800 -0.787 0.000 2.394 104 Q HA 0.143 4.483 4.340 0.000 0.000 0.248 104 Q C 0.913 176.478 176.000 -0.725 0.000 0.992 104 Q CA 0.087 55.314 55.803 -0.960 0.000 0.888 104 Q CB 0.944 28.629 28.738 -1.756 0.000 1.257 104 Q HN 0.093 nan 8.270 nan 0.000 0.462 105 A N 2.837 125.370 122.820 -0.478 0.000 2.024 105 A HA -0.143 4.177 4.320 0.000 0.000 0.220 105 A C 1.310 178.820 177.584 -0.123 0.000 1.164 105 A CA 1.442 53.355 52.037 -0.206 0.000 0.643 105 A CB -0.585 18.396 19.000 -0.032 0.000 0.806 105 A HN 0.874 nan 8.150 nan 0.000 0.451 106 W N -2.475 118.780 121.300 -0.075 0.000 3.290 106 W HA 0.383 5.043 4.660 0.000 0.000 0.287 106 W C 0.321 176.814 176.519 -0.043 0.000 1.288 106 W CA -0.513 56.807 57.345 -0.041 0.000 1.725 106 W CB -1.366 28.086 29.460 -0.014 0.000 1.103 106 W HN 0.280 nan 8.180 nan 0.000 0.670 107 C N 5.347 124.449 119.300 -0.330 0.000 2.307 107 C HA 0.199 4.659 4.460 0.000 0.000 0.340 107 C C 1.489 176.393 174.990 -0.144 0.000 1.275 107 C CA -0.388 58.487 59.018 -0.239 0.000 1.811 107 C CB 0.456 27.906 27.740 -0.483 0.000 2.372 107 C HN 0.374 nan 8.230 nan 0.000 0.531 108 D N 2.430 122.794 120.400 -0.060 0.000 2.319 108 D HA 0.195 4.835 4.640 0.000 0.000 0.230 108 D C 1.358 177.623 176.300 -0.058 0.000 1.094 108 D CA 0.700 54.668 54.000 -0.053 0.000 0.856 108 D CB -0.209 40.573 40.800 -0.031 0.000 0.915 108 D HN 1.242 nan 8.370 nan 0.000 0.517 109 G N -0.001 108.755 108.800 -0.074 0.000 2.176 109 G HA2 -0.235 3.725 3.960 0.000 0.000 0.232 109 G HA3 -0.235 3.725 3.960 0.000 0.000 0.232 109 G C -0.214 174.664 174.900 -0.036 0.000 0.986 109 G CA -0.269 44.793 45.100 -0.063 0.000 0.643 109 G HN 0.419 nan 8.290 nan 0.000 0.522 110 N N 0.278 118.966 118.700 -0.020 0.000 2.443 110 N HA 0.557 5.297 4.740 0.000 0.000 0.269 110 N C -0.711 174.810 175.510 0.018 0.000 0.985 110 N CA -0.166 52.887 53.050 0.005 0.000 0.921 110 N CB 2.572 41.069 38.487 0.017 0.000 1.195 110 N HN 0.110 nan 8.380 nan 0.000 0.492 111 V N 0.465 120.387 119.914 0.014 0.000 2.735 111 V HA 0.820 4.940 4.120 0.000 0.000 0.310 111 V C 0.548 176.640 176.094 -0.005 0.000 1.061 111 V CA -0.713 61.595 62.300 0.013 0.000 0.913 111 V CB 2.030 33.861 31.823 0.014 0.000 1.005 111 V HN 0.741 nan 8.190 nan 0.000 0.428 112 G N 2.735 111.496 108.800 -0.066 0.000 2.818 112 G HA2 0.862 4.822 3.960 0.000 0.000 0.286 112 G HA3 0.862 4.822 3.960 0.000 0.000 0.286 112 G C -1.350 173.508 174.900 -0.070 0.000 1.364 112 G CA -0.816 44.230 45.100 -0.090 0.000 0.938 112 G HN 0.519 nan 8.290 nan 0.000 0.490 113 M N -0.343 119.287 119.600 0.050 0.000 2.593 113 M HA 0.668 5.148 4.480 0.000 0.000 0.290 113 M C -1.256 175.251 176.300 0.346 0.000 1.244 113 M CA -0.610 54.734 55.300 0.074 0.000 0.857 113 M CB 2.846 35.427 32.600 -0.033 0.000 1.738 113 M HN 0.673 nan 8.290 nan 0.000 0.461 114 F N -1.032 118.962 119.950 0.074 0.000 2.711 114 F HA 0.991 5.518 4.527 0.001 0.000 0.313 114 F C -0.508 175.304 175.800 0.020 0.000 1.141 114 F CA -0.626 57.482 58.000 0.180 0.000 0.941 114 F CB 1.305 40.565 39.000 0.433 0.000 1.349 114 F HN 0.851 nan 8.300 nan 0.000 0.464 115 G N 0.023 108.881 108.800 0.097 0.000 2.340 115 G HA2 0.459 4.420 3.960 0.000 0.000 0.527 115 G HA3 0.459 4.420 3.960 0.000 0.000 0.527 115 G C -2.649 172.232 174.900 -0.032 0.000 1.381 115 G CA -0.273 44.751 45.100 -0.127 0.000 1.001 115 G HN 1.611 nan 8.290 nan 0.000 0.626 116 V N 0.148 120.030 119.914 -0.053 0.000 2.715 116 V HA 0.835 4.955 4.120 0.000 0.000 0.310 116 V C 1.223 177.296 176.094 -0.036 0.000 1.054 116 V CA 1.829 64.110 62.300 -0.032 0.000 0.928 116 V CB 1.164 32.978 31.823 -0.014 0.000 1.007 116 V HN 2.936 nan 8.190 nan 0.000 0.437 117 S N 4.194 119.845 115.700 -0.082 0.000 4.140 117 S HA -0.359 4.111 4.470 0.000 0.000 0.618 117 S C 0.950 175.559 174.600 0.015 0.000 1.896 117 S CA 1.925 60.106 58.200 -0.031 0.000 4.240 117 S CB -1.734 61.636 63.200 0.283 0.000 0.208 117 S HN 1.411 nan 8.310 nan 0.000 0.487 118 Y N 1.839 122.212 120.300 0.122 0.000 2.352 118 Y HA 0.078 4.628 4.550 0.000 0.000 0.292 118 Y C 1.938 177.829 175.900 -0.016 0.000 1.136 118 Y CA 2.068 60.234 58.100 0.111 0.000 1.227 118 Y CB -0.261 38.329 38.460 0.216 0.000 0.991 118 Y HN 0.403 nan 8.280 nan 0.000 0.545 119 L N -0.775 120.502 121.223 0.089 0.000 2.465 119 L HA 0.013 4.353 4.340 0.000 0.000 0.224 119 L C 2.411 179.178 176.870 -0.172 0.000 1.145 119 L CA 1.476 56.229 54.840 -0.146 0.000 0.834 119 L CB -1.080 40.733 42.059 -0.411 0.000 0.944 119 L HN 0.282 nan 8.230 nan 0.000 0.451 120 G N -1.597 107.128 108.800 -0.125 0.000 2.486 120 G HA2 -0.028 3.933 3.960 0.000 0.000 0.210 120 G HA3 -0.028 3.933 3.960 0.000 0.000 0.210 120 G C 1.535 176.364 174.900 -0.119 0.000 1.168 120 G CA 0.497 45.512 45.100 -0.142 0.000 0.820 120 G HN 0.129 nan 8.290 nan 0.000 0.544 121 V N 2.360 122.220 119.914 -0.091 0.000 2.332 121 V HA -0.224 3.896 4.120 0.000 0.000 0.248 121 V C 3.326 179.406 176.094 -0.023 0.000 1.055 121 V CA 2.522 64.815 62.300 -0.012 0.000 1.038 121 V CB -1.124 30.613 31.823 -0.144 0.000 0.651 121 V HN 0.626 nan 8.190 nan 0.000 0.450 122 T N -1.963 112.525 114.554 -0.111 0.000 2.977 122 T HA -0.235 4.115 4.350 0.000 0.000 0.271 122 T C 1.665 176.327 174.700 -0.064 0.000 1.105 122 T CA 1.400 63.459 62.100 -0.069 0.000 1.116 122 T CB -0.304 68.537 68.868 -0.045 0.000 0.878 122 T HN 0.599 nan 8.240 nan 0.000 0.509 123 Q N -0.120 119.597 119.800 -0.139 0.000 2.083 123 Q HA 0.010 4.350 4.340 0.000 0.000 0.198 123 Q C 1.981 177.856 176.000 -0.207 0.000 0.969 123 Q CA 1.270 56.941 55.803 -0.220 0.000 0.838 123 Q CB -0.279 28.247 28.738 -0.353 0.000 0.900 123 Q HN 0.705 nan 8.270 nan 0.000 0.436 124 W N 1.532 122.826 121.300 -0.010 0.000 2.363 124 W HA -0.153 4.507 4.660 0.000 0.000 0.296 124 W C 2.271 178.790 176.519 0.000 0.000 1.212 124 W CA 0.640 57.985 57.345 0.001 0.000 1.260 124 W CB 0.027 29.491 29.460 0.007 0.000 1.131 124 W HN 0.200 nan 8.180 nan 0.000 0.530 125 Q N -0.052 119.865 119.800 0.195 0.000 2.170 125 Q HA -0.145 4.195 4.340 0.000 0.000 0.203 125 Q C 2.419 178.467 176.000 0.081 0.000 0.976 125 Q CA 1.516 57.391 55.803 0.120 0.000 0.858 125 Q CB -0.507 28.279 28.738 0.080 0.000 0.907 125 Q HN 0.328 nan 8.270 nan 0.000 0.433 126 A N 1.006 123.854 122.820 0.047 0.000 1.929 126 A HA -0.006 4.315 4.320 0.000 0.000 0.216 126 A C 2.272 179.879 177.584 0.039 0.000 1.176 126 A CA 1.290 53.343 52.037 0.027 0.000 0.628 126 A CB -0.588 18.407 19.000 -0.008 0.000 0.816 126 A HN 0.367 nan 8.150 nan 0.000 0.444 127 A N 0.025 122.878 122.820 0.056 0.000 2.015 127 A HA 0.043 4.364 4.320 0.000 0.000 0.219 127 A C 1.986 179.625 177.584 0.092 0.000 1.163 127 A CA 1.677 53.757 52.037 0.073 0.000 0.646 127 A CB -0.929 18.139 19.000 0.114 0.000 0.806 127 A HN 1.135 nan 8.150 nan 0.000 0.448 128 V N -1.324 118.652 119.914 0.103 0.000 3.623 128 V HA 0.008 4.128 4.120 0.000 0.000 0.271 128 V C 1.883 178.008 176.094 0.052 0.000 1.248 128 V CA 1.369 63.715 62.300 0.078 0.000 1.156 128 V CB -1.004 30.867 31.823 0.081 0.000 0.870 128 V HN 0.598 nan 8.190 nan 0.000 0.453 129 S N 0.607 116.335 115.700 0.047 0.000 2.447 129 S HA 0.166 4.637 4.470 0.000 0.000 0.233 129 S C 1.933 176.549 174.600 0.027 0.000 1.006 129 S CA 1.048 59.269 58.200 0.035 0.000 0.957 129 S CB -0.519 62.701 63.200 0.033 0.000 0.773 129 S HN 1.838 nan 8.310 nan 0.000 0.507 130 G N 0.305 109.121 108.800 0.026 0.000 2.148 130 G HA2 -0.236 3.725 3.960 0.000 0.000 0.254 130 G HA3 -0.236 3.725 3.960 0.000 0.000 0.254 130 G C 0.022 174.931 174.900 0.014 0.000 0.981 130 G CA 0.118 45.229 45.100 0.018 0.000 0.670 130 G HN 0.770 nan 8.290 nan 0.000 0.528 131 V N 1.268 121.191 119.914 0.015 0.000 2.405 131 V HA 0.469 4.589 4.120 0.000 0.000 0.264 131 V C 1.944 178.042 176.094 0.005 0.000 1.048 131 V CA 0.777 63.083 62.300 0.010 0.000 0.966 131 V CB 0.750 32.581 31.823 0.013 0.000 1.015 131 V HN 0.518 nan 8.190 nan 0.000 0.477 132 G N 4.227 113.027 108.800 0.001 0.000 2.448 132 G HA2 -0.141 3.819 3.960 0.000 0.000 0.219 132 G HA3 -0.141 3.819 3.960 0.000 0.000 0.219 132 G C 1.489 176.387 174.900 -0.004 0.000 1.127 132 G CA 0.757 45.856 45.100 -0.002 0.000 0.766 132 G HN 0.855 nan 8.290 nan 0.000 0.552 133 G N -0.064 108.731 108.800 -0.008 0.000 2.509 133 G HA2 0.060 4.020 3.960 0.000 0.000 0.218 133 G HA3 0.060 4.020 3.960 0.000 0.000 0.218 133 G C 0.677 175.576 174.900 -0.002 0.000 1.124 133 G CA -0.048 45.045 45.100 -0.011 0.000 0.776 133 G HN 0.410 nan 8.290 nan 0.000 0.547 134 L N 0.976 122.201 121.223 0.003 0.000 2.407 134 L HA 0.360 4.700 4.340 0.000 0.000 0.282 134 L C 0.932 177.807 176.870 0.009 0.000 1.110 134 L CA -0.240 54.605 54.840 0.008 0.000 0.863 134 L CB 0.745 42.809 42.059 0.009 0.000 1.207 134 L HN -0.170 nan 8.230 nan 0.000 0.454 135 K N 4.292 124.702 120.400 0.017 0.000 2.354 135 K HA 0.520 4.840 4.320 0.000 0.000 0.194 135 K C 0.002 176.596 176.600 -0.010 0.000 1.045 135 K CA 0.601 56.895 56.287 0.011 0.000 1.026 135 K CB 0.507 33.029 32.500 0.036 0.000 0.866 135 K HN 0.595 nan 8.250 nan 0.000 0.530 136 A N 1.175 124.026 122.820 0.051 0.000 2.594 136 A HA 0.611 4.932 4.320 0.000 0.000 0.296 136 A C -1.113 176.617 177.584 0.244 0.000 1.056 136 A CA -0.954 51.151 52.037 0.115 0.000 0.693 136 A CB 0.836 19.909 19.000 0.122 0.000 1.278 136 A HN 0.170 nan 8.150 nan 0.000 0.408 137 I N -1.919 118.790 120.570 0.231 0.000 3.002 137 I HA 0.970 5.141 4.170 0.000 0.000 0.310 137 I C -0.073 176.120 176.117 0.127 0.000 1.087 137 I CA -1.147 60.233 61.300 0.133 0.000 1.017 137 I CB 2.586 40.478 38.000 -0.179 0.000 1.226 137 I HN 1.161 nan 8.210 nan 0.000 0.443 138 A N 3.373 126.238 122.820 0.075 0.000 3.127 138 A HA 0.614 4.934 4.320 0.000 0.000 0.319 138 A C -2.909 174.681 177.584 0.010 0.000 1.104 138 A CA -1.149 50.880 52.037 -0.014 0.000 0.802 138 A CB 0.082 19.133 19.000 0.085 0.000 1.193 138 A HN 0.526 nan 8.150 nan 0.000 0.479 139 P HA 0.271 nan 4.420 nan 0.000 0.293 139 P C -0.212 177.092 177.300 0.006 0.000 1.313 139 P CA 0.188 63.212 63.100 -0.126 0.000 0.787 139 P CB 1.638 33.138 31.700 -0.334 0.000 0.910 140 S N 4.959 120.673 115.700 0.024 0.000 2.451 140 S HA 0.518 4.988 4.470 0.000 0.000 0.301 140 S C 0.511 175.094 174.600 -0.029 0.000 1.116 140 S CA -0.401 57.825 58.200 0.043 0.000 1.093 140 S CB -0.180 63.071 63.200 0.085 0.000 1.017 140 S HN 0.350 nan 8.310 nan 0.000 0.482 141 M N 1.423 121.021 119.600 -0.004 0.000 2.253 141 M HA -0.195 4.286 4.480 0.000 0.000 0.195 141 M C -0.032 176.012 176.300 -0.427 0.000 0.512 141 M CA 1.028 56.309 55.300 -0.032 0.000 0.442 141 M CB -3.229 29.398 32.600 0.044 0.000 1.189 141 M HN 0.741 nan 8.290 nan 0.000 0.923 142 A N -0.391 122.236 122.820 -0.320 0.000 2.483 142 A HA 0.950 5.270 4.320 0.000 0.000 0.286 142 A C -0.106 177.470 177.584 -0.012 0.000 1.207 142 A CA 0.104 51.869 52.037 -0.453 0.000 0.764 142 A CB 2.250 21.201 19.000 -0.081 0.000 1.341 142 A HN 0.627 nan 8.150 nan 0.000 0.428 143 S N -2.089 113.684 115.700 0.121 0.000 2.556 143 S HA 0.613 5.083 4.470 0.000 0.000 0.271 143 S C -0.157 174.488 174.600 0.076 0.000 1.135 143 S CA 0.303 58.613 58.200 0.184 0.000 0.858 143 S CB 1.729 65.109 63.200 0.299 0.000 1.114 143 S HN 2.006 nan 8.310 nan 0.000 0.468 144 A N 1.928 124.688 122.820 -0.100 0.000 2.465 144 A HA 0.408 4.728 4.320 0.000 0.000 0.255 144 A C -0.001 177.592 177.584 0.015 0.000 1.274 144 A CA -0.046 51.908 52.037 -0.139 0.000 0.920 144 A CB -0.034 18.685 19.000 -0.468 0.000 1.033 144 A HN 0.675 nan 8.150 nan 0.000 0.516 145 D N 0.415 120.818 120.400 0.005 0.000 2.386 145 D HA 0.226 4.867 4.640 0.000 0.000 0.247 145 D C 0.367 176.669 176.300 0.003 0.000 1.336 145 D CA -0.366 53.642 54.000 0.013 0.000 0.976 145 D CB 0.983 41.739 40.800 -0.073 0.000 1.257 145 D HN -0.050 nan 8.370 nan 0.000 0.570 146 L N 3.195 124.460 121.223 0.070 0.000 2.217 146 L HA -0.090 4.251 4.340 0.000 0.000 0.211 146 L C 1.886 178.744 176.870 -0.021 0.000 1.107 146 L CA 0.974 55.848 54.840 0.056 0.000 0.783 146 L CB -1.266 40.908 42.059 0.192 0.000 0.919 146 L HN 0.556 nan 8.230 nan 0.000 0.442 147 Y N 1.397 121.536 120.300 -0.268 0.000 2.114 147 Y HA -0.234 4.316 4.550 0.000 0.000 0.284 147 Y C 2.844 178.532 175.900 -0.355 0.000 1.143 147 Y CA 1.751 59.444 58.100 -0.678 0.000 1.135 147 Y CB -0.023 37.942 38.460 -0.824 0.000 0.980 147 Y HN 0.026 nan 8.280 nan 0.000 0.499 148 R N 0.068 120.523 120.500 -0.075 0.000 2.148 148 R HA 0.183 4.523 4.340 0.000 0.000 0.227 148 R C -0.072 176.101 176.300 -0.211 0.000 1.103 148 R CA 0.764 56.795 56.100 -0.116 0.000 0.983 148 R CB -0.050 30.186 30.300 -0.107 0.000 0.874 148 R HN 0.259 nan 8.270 nan 0.000 0.451 149 A N 0.190 122.853 122.820 -0.261 0.000 2.532 149 A HA 0.345 4.665 4.320 0.000 0.000 0.296 149 A C -2.487 174.762 177.584 -0.559 0.000 1.058 149 A CA -1.133 50.636 52.037 -0.446 0.000 0.729 149 A CB 1.649 20.415 19.000 -0.389 0.000 1.285 149 A HN -0.103 nan 8.150 nan 0.000 0.396 150 P HA 0.147 nan 4.420 nan 0.000 0.275 150 P C 0.351 177.218 177.300 -0.721 0.000 1.310 150 P CA 0.272 62.702 63.100 -1.118 0.000 0.904 150 P CB 0.034 30.830 31.700 -1.507 0.000 1.381 151 W N -1.314 119.847 121.300 -0.231 0.000 2.539 151 W HA 0.086 4.746 4.660 0.001 0.000 0.281 151 W C 1.484 177.687 176.519 -0.527 0.000 1.220 151 W CA 0.026 57.226 57.345 -0.241 0.000 1.332 151 W CB -0.422 29.041 29.460 0.006 0.000 1.095 151 W HN -0.127 nan 8.180 nan 0.000 0.571 152 Y N -0.625 119.379 120.300 -0.492 0.000 2.986 152 Y HA 0.700 5.250 4.550 0.000 0.000 0.266 152 Y C 0.996 176.633 175.900 -0.439 0.000 1.419 152 Y CA 0.189 57.894 58.100 -0.659 0.000 1.147 152 Y CB 0.080 37.589 38.460 -1.585 0.000 1.106 152 Y HN -0.251 nan 8.280 nan 0.000 0.678 153 G N -1.226 107.391 108.800 -0.305 0.000 2.328 153 G HA2 0.228 4.188 3.960 0.000 0.000 0.295 153 G HA3 0.228 4.188 3.960 0.000 0.000 0.295 153 G C -2.679 172.172 174.900 -0.081 0.000 1.413 153 G CA -0.716 44.299 45.100 -0.141 0.000 0.817 153 G HN 0.078 nan 8.290 nan 0.000 0.546 154 P HA 0.037 nan 4.420 nan 0.000 0.225 154 P C 1.490 178.758 177.300 -0.053 0.000 1.148 154 P CA 1.522 64.594 63.100 -0.047 0.000 0.779 154 P CB 0.155 31.825 31.700 -0.051 0.000 0.780 155 G N -0.893 107.851 108.800 -0.093 0.000 2.939 155 G HA2 0.272 4.232 3.960 0.000 0.000 0.210 155 G HA3 0.272 4.232 3.960 0.000 0.000 0.210 155 G C 1.084 175.944 174.900 -0.066 0.000 1.160 155 G CA 0.397 45.441 45.100 -0.093 0.000 0.770 155 G HN 0.404 nan 8.290 nan 0.000 0.543 156 G N -1.001 107.732 108.800 -0.112 0.000 2.160 156 G HA2 0.165 4.125 3.960 0.000 0.000 0.244 156 G HA3 0.165 4.125 3.960 0.000 0.000 0.244 156 G C 0.300 175.189 174.900 -0.019 0.000 1.022 156 G CA 0.247 45.207 45.100 -0.233 0.000 0.741 156 G HN 1.334 nan 8.290 nan 0.000 0.508 157 A N -0.549 122.252 122.820 -0.032 0.000 2.325 157 A HA 0.844 5.164 4.320 0.000 0.000 0.333 157 A C 0.180 177.803 177.584 0.064 0.000 1.155 157 A CA -0.530 51.532 52.037 0.042 0.000 0.814 157 A CB 1.334 20.248 19.000 -0.143 0.000 1.206 157 A HN 1.531 nan 8.150 nan 0.000 0.482 158 L N 1.951 123.166 121.223 -0.013 0.000 2.410 158 L HA 0.277 4.618 4.340 0.000 0.000 0.273 158 L C 0.467 177.253 176.870 -0.140 0.000 1.152 158 L CA 0.756 55.316 54.840 -0.468 0.000 0.855 158 L CB 0.958 42.792 42.059 -0.374 0.000 1.129 158 L HN 0.496 nan 8.230 nan 0.000 0.463 159 S N 4.493 120.067 115.700 -0.211 0.000 3.919 159 S HA 0.048 4.518 4.470 0.000 0.000 0.245 159 S C 1.197 175.750 174.600 -0.078 0.000 1.344 159 S CA -0.019 58.117 58.200 -0.107 0.000 0.896 159 S CB 0.302 63.423 63.200 -0.131 0.000 1.557 159 S HN 0.670 nan 8.310 nan 0.000 0.468 160 V N 3.152 123.018 119.914 -0.080 0.000 2.427 160 V HA -0.203 3.918 4.120 0.000 0.000 0.248 160 V C 2.298 178.367 176.094 -0.042 0.000 1.051 160 V CA 2.388 64.655 62.300 -0.055 0.000 1.048 160 V CB -0.250 31.561 31.823 -0.021 0.000 0.666 160 V HN 0.824 nan 8.190 nan 0.000 0.456 161 E N 1.278 121.424 120.200 -0.091 0.000 2.106 161 E HA -0.082 4.268 4.350 0.000 0.000 0.192 161 E C 2.034 178.707 176.600 0.122 0.000 0.984 161 E CA 1.777 58.160 56.400 -0.028 0.000 0.806 161 E CB -0.950 28.711 29.700 -0.065 0.000 0.750 161 E HN 0.546 nan 8.360 nan 0.000 0.458 162 A N 1.092 124.008 122.820 0.159 0.000 1.877 162 A HA -0.082 4.238 4.320 0.000 0.000 0.216 162 A C 2.236 180.088 177.584 0.448 0.000 1.186 162 A CA 1.504 53.749 52.037 0.347 0.000 0.620 162 A CB -0.851 18.262 19.000 0.187 0.000 0.822 162 A HN 0.326 nan 8.150 nan 0.000 0.443 163 L N -0.117 121.334 121.223 0.381 0.000 1.994 163 L HA -0.123 4.218 4.340 0.000 0.000 0.208 163 L C 2.320 179.282 176.870 0.153 0.000 1.071 163 L CA 1.838 56.849 54.840 0.285 0.000 0.745 163 L CB -0.487 41.607 42.059 0.058 0.000 0.892 163 L HN 0.412 nan 8.230 nan 0.000 0.431 164 L N -1.073 120.182 121.223 0.053 0.000 2.109 164 L HA -0.048 4.292 4.340 0.000 0.000 0.207 164 L C 2.533 179.345 176.870 -0.097 0.000 1.086 164 L CA 1.058 55.893 54.840 -0.009 0.000 0.760 164 L CB -1.441 40.608 42.059 -0.016 0.000 0.910 164 L HN 0.455 nan 8.230 nan 0.000 0.437 165 G N -0.545 108.132 108.800 -0.204 0.000 2.421 165 G HA2 -0.317 3.643 3.960 0.000 0.000 0.216 165 G HA3 -0.317 3.643 3.960 0.000 0.000 0.216 165 G C 1.287 175.604 174.900 -0.972 0.000 1.171 165 G CA 0.528 45.260 45.100 -0.613 0.000 0.775 165 G HN 0.440 nan 8.290 nan 0.000 0.543 166 W N 1.816 122.517 121.300 -0.999 0.000 2.381 166 W HA -0.016 4.644 4.660 0.000 0.000 0.301 166 W C 2.848 179.320 176.519 -0.079 0.000 1.205 166 W CA 1.615 58.717 57.345 -0.406 0.000 1.285 166 W CB -0.219 29.413 29.460 0.287 0.000 1.133 166 W HN 0.191 nan 8.180 nan 0.000 0.521 167 S N 0.373 116.100 115.700 0.046 0.000 2.382 167 S HA -0.193 4.277 4.470 0.000 0.000 0.228 167 S C 1.985 176.477 174.600 -0.180 0.000 1.027 167 S CA 1.460 59.624 58.200 -0.060 0.000 0.991 167 S CB -0.925 62.334 63.200 0.099 0.000 0.823 167 S HN 0.376 nan 8.310 nan 0.000 0.469 168 A N 1.237 123.952 122.820 -0.176 0.000 1.930 168 A HA 0.009 4.329 4.320 0.000 0.000 0.217 168 A C 2.099 179.562 177.584 -0.203 0.000 1.175 168 A CA 1.176 53.111 52.037 -0.171 0.000 0.627 168 A CB -0.613 18.299 19.000 -0.146 0.000 0.815 168 A HN 0.419 nan 8.150 nan 0.000 0.443 169 L N -0.121 120.961 121.223 -0.235 0.000 2.017 169 L HA -0.113 4.227 4.340 0.000 0.000 0.208 169 L C 2.093 178.822 176.870 -0.235 0.000 1.073 169 L CA 1.681 56.418 54.840 -0.172 0.000 0.745 169 L CB -0.372 41.653 42.059 -0.058 0.000 0.894 169 L HN 0.319 nan 8.230 nan 0.000 0.432 170 I N 0.039 120.337 120.570 -0.453 0.000 2.226 170 I HA -0.185 3.985 4.170 0.000 0.000 0.245 170 I C 2.571 178.499 176.117 -0.315 0.000 1.100 170 I CA 1.410 62.410 61.300 -0.500 0.000 1.374 170 I CB -2.151 35.347 38.000 -0.836 0.000 1.057 170 I HN 0.423 nan 8.210 nan 0.000 0.413 171 G N 0.337 108.990 108.800 -0.244 0.000 2.469 171 G HA2 -0.265 3.695 3.960 0.000 0.000 0.219 171 G HA3 -0.265 3.695 3.960 0.000 0.000 0.219 171 G C 1.679 176.503 174.900 -0.127 0.000 1.150 171 G CA 1.524 46.528 45.100 -0.159 0.000 0.763 171 G HN 0.331 nan 8.290 nan 0.000 0.561 172 T N 0.720 115.198 114.554 -0.126 0.000 2.857 172 T HA 0.031 4.381 4.350 0.000 0.000 0.266 172 T C 2.490 177.205 174.700 0.025 0.000 1.048 172 T CA 1.249 63.309 62.100 -0.067 0.000 1.139 172 T CB -0.402 68.373 68.868 -0.155 0.000 0.874 172 T HN 0.358 nan 8.240 nan 0.000 0.455 173 G N 1.324 110.117 108.800 -0.011 0.000 2.432 173 G HA2 -0.111 3.850 3.960 0.000 0.000 0.219 173 G HA3 -0.111 3.850 3.960 0.000 0.000 0.219 173 G C 1.466 176.267 174.900 -0.165 0.000 1.135 173 G CA 0.371 45.489 45.100 0.030 0.000 0.767 173 G HN 0.434 nan 8.290 nan 0.000 0.550 174 L N -0.115 120.979 121.223 -0.214 0.000 2.083 174 L HA 0.007 4.347 4.340 0.000 0.000 0.209 174 L C 2.780 179.567 176.870 -0.139 0.000 1.083 174 L CA 0.626 55.318 54.840 -0.248 0.000 0.752 174 L CB -0.258 41.681 42.059 -0.200 0.000 0.899 174 L HN 0.221 nan 8.230 nan 0.000 0.433 175 I N -0.459 120.085 120.570 -0.043 0.000 2.193 175 I HA -0.226 3.944 4.170 0.000 0.000 0.240 175 I C 2.613 178.748 176.117 0.030 0.000 1.084 175 I CA 1.728 63.041 61.300 0.022 0.000 1.365 175 I CB -0.510 37.564 38.000 0.123 0.000 1.064 175 I HN 0.347 nan 8.210 nan 0.000 0.410 176 T N -2.107 112.497 114.554 0.082 0.000 3.051 176 T HA -0.089 4.262 4.350 0.000 0.000 0.269 176 T C 1.604 176.339 174.700 0.059 0.000 1.127 176 T CA 1.168 63.316 62.100 0.081 0.000 1.107 176 T CB -0.420 68.542 68.868 0.158 0.000 0.898 176 T HN 0.425 nan 8.240 nan 0.000 0.517 177 S N -0.327 115.368 115.700 -0.008 0.000 2.539 177 S HA 0.287 4.757 4.470 0.000 0.000 0.221 177 S C 0.763 175.317 174.600 -0.076 0.000 0.987 177 S CA -0.880 57.295 58.200 -0.041 0.000 0.929 177 S CB -0.217 62.783 63.200 -0.333 0.000 0.832 177 S HN 0.375 nan 8.310 nan 0.000 0.492 178 R N 2.551 123.010 120.500 -0.068 0.000 2.522 178 R HA 0.130 4.470 4.340 0.000 0.000 0.284 178 R C 1.590 177.871 176.300 -0.031 0.000 1.032 178 R CA 0.570 56.634 56.100 -0.060 0.000 1.049 178 R CB 0.583 30.855 30.300 -0.046 0.000 0.956 178 R HN 0.598 nan 8.270 nan 0.000 0.422 179 S N 2.492 118.174 115.700 -0.030 0.000 2.398 179 S HA -0.189 4.282 4.470 0.000 0.000 0.220 179 S C 0.233 174.827 174.600 -0.010 0.000 1.038 179 S CA 1.056 59.249 58.200 -0.013 0.000 1.080 179 S CB -0.155 63.036 63.200 -0.014 0.000 1.039 179 S HN 0.624 nan 8.310 nan 0.000 0.419 180 D N 1.578 121.970 120.400 -0.014 0.000 2.256 180 D HA 0.726 5.366 4.640 0.000 0.000 0.240 180 D C -0.223 176.068 176.300 -0.016 0.000 1.062 180 D CA 0.130 54.122 54.000 -0.013 0.000 0.832 180 D CB 1.522 42.315 40.800 -0.011 0.000 1.135 180 D HN 0.648 nan 8.370 nan 0.000 0.484 181 A N 2.964 125.774 122.820 -0.016 0.000 2.536 181 A HA 0.198 4.519 4.320 0.000 0.000 0.234 181 A C 0.369 177.944 177.584 -0.014 0.000 1.076 181 A CA 0.196 52.222 52.037 -0.017 0.000 0.769 181 A CB 0.334 19.323 19.000 -0.019 0.000 1.020 181 A HN 0.572 nan 8.150 nan 0.000 0.508 182 R N 1.526 122.019 120.500 -0.012 0.000 2.598 182 R HA 0.343 4.683 4.340 0.000 0.000 0.279 182 R C -1.955 174.341 176.300 -0.006 0.000 0.984 182 R CA -1.783 54.312 56.100 -0.009 0.000 0.999 182 R CB 0.644 30.939 30.300 -0.008 0.000 1.114 182 R HN 0.431 nan 8.270 nan 0.000 0.493 183 P HA -0.216 nan 4.420 nan 0.000 0.218 183 P C 0.715 178.017 177.300 0.003 0.000 1.148 183 P CA 1.232 64.330 63.100 -0.002 0.000 0.822 183 P CB 0.213 31.913 31.700 -0.001 0.000 0.784 184 E N -0.795 119.408 120.200 0.005 0.000 2.481 184 E HA -0.117 4.233 4.350 0.000 0.000 0.195 184 E C 0.797 177.410 176.600 0.022 0.000 1.047 184 E CA 0.683 57.090 56.400 0.012 0.000 0.867 184 E CB -0.817 28.889 29.700 0.010 0.000 0.858 184 E HN 0.203 nan 8.360 nan 0.000 0.513 185 D N 2.255 122.666 120.400 0.019 0.000 2.123 185 D HA -0.109 4.532 4.640 0.000 0.000 0.196 185 D C 1.959 178.296 176.300 0.062 0.000 0.992 185 D CA 2.043 56.064 54.000 0.034 0.000 0.833 185 D CB -0.281 40.529 40.800 0.016 0.000 0.954 185 D HN 0.349 nan 8.370 nan 0.000 0.455 186 A N 1.044 123.884 122.820 0.032 0.000 1.883 186 A HA -0.100 4.220 4.320 0.000 0.000 0.217 186 A C 2.324 179.960 177.584 0.087 0.000 1.186 186 A CA 2.536 54.592 52.037 0.033 0.000 0.624 186 A CB -0.817 18.183 19.000 -0.001 0.000 0.822 186 A HN 0.250 nan 8.150 nan 0.000 0.444 187 A N -0.274 122.584 122.820 0.064 0.000 1.898 187 A HA -0.149 4.172 4.320 0.000 0.000 0.216 187 A C 1.773 179.404 177.584 0.079 0.000 1.181 187 A CA 1.863 53.939 52.037 0.065 0.000 0.620 187 A CB -0.588 18.435 19.000 0.039 0.000 0.819 187 A HN 0.450 nan 8.150 nan 0.000 0.442 188 D N -1.051 119.395 120.400 0.076 0.000 2.117 188 D HA -0.139 4.501 4.640 0.000 0.000 0.197 188 D C 1.568 177.924 176.300 0.093 0.000 0.987 188 D CA 1.223 55.261 54.000 0.063 0.000 0.829 188 D CB -0.417 40.412 40.800 0.048 0.000 0.961 188 D HN 0.469 nan 8.370 nan 0.000 0.460 189 F N 1.090 121.035 119.950 -0.009 0.000 2.186 189 F HA -0.168 4.359 4.527 0.000 0.000 0.299 189 F C 2.145 177.945 175.800 0.001 0.000 1.090 189 F CA 0.813 58.810 58.000 -0.006 0.000 1.307 189 F CB -0.206 38.792 39.000 -0.004 0.000 1.019 189 F HN -0.217 nan 8.300 nan 0.000 0.489 190 V N 0.455 120.538 119.914 0.282 0.000 2.332 190 V HA -0.348 3.772 4.120 0.000 0.000 0.248 190 V C 2.286 178.401 176.094 0.034 0.000 1.055 190 V CA 2.364 64.762 62.300 0.163 0.000 1.038 190 V CB -0.798 31.105 31.823 0.133 0.000 0.651 190 V HN 0.411 nan 8.190 nan 0.000 0.450 191 Q N -0.712 119.100 119.800 0.019 0.000 2.119 191 Q HA -0.101 4.239 4.340 0.000 0.000 0.201 191 Q C 2.290 178.257 176.000 -0.055 0.000 0.972 191 Q CA 1.296 57.093 55.803 -0.010 0.000 0.847 191 Q CB -0.172 28.566 28.738 -0.000 0.000 0.903 191 Q HN 0.551 nan 8.270 nan 0.000 0.433 192 L N 0.056 121.213 121.223 -0.111 0.000 2.056 192 L HA -0.151 4.190 4.340 0.000 0.000 0.207 192 L C 2.491 179.242 176.870 -0.198 0.000 1.078 192 L CA 0.917 55.654 54.840 -0.171 0.000 0.749 192 L CB -0.540 41.371 42.059 -0.247 0.000 0.901 192 L HN 0.199 nan 8.230 nan 0.000 0.433 193 A N 0.055 122.720 122.820 -0.258 0.000 1.933 193 A HA -0.173 4.147 4.320 0.000 0.000 0.218 193 A C 2.518 180.062 177.584 -0.067 0.000 1.175 193 A CA 1.699 53.627 52.037 -0.182 0.000 0.628 193 A CB -0.659 18.252 19.000 -0.148 0.000 0.814 193 A HN 0.401 nan 8.150 nan 0.000 0.444 194 A N -0.174 122.621 122.820 -0.042 0.000 1.930 194 A HA -0.043 4.277 4.320 0.000 0.000 0.217 194 A C 2.095 179.677 177.584 -0.004 0.000 1.175 194 A CA 1.426 53.458 52.037 -0.008 0.000 0.627 194 A CB -0.536 18.465 19.000 0.002 0.000 0.815 194 A HN 0.507 nan 8.150 nan 0.000 0.443 195 I N -0.522 120.035 120.570 -0.023 0.000 2.202 195 I HA -0.241 3.929 4.170 0.000 0.000 0.242 195 I C 2.274 178.395 176.117 0.005 0.000 1.091 195 I CA 1.148 62.440 61.300 -0.013 0.000 1.368 195 I CB -0.309 37.669 38.000 -0.036 0.000 1.058 195 I HN 0.266 nan 8.210 nan 0.000 0.410 196 L N 0.463 121.681 121.223 -0.009 0.000 2.201 196 L HA -0.176 4.164 4.340 0.000 0.000 0.212 196 L C 1.917 178.824 176.870 0.061 0.000 1.105 196 L CA 0.947 55.809 54.840 0.036 0.000 0.775 196 L CB -0.597 41.471 42.059 0.016 0.000 0.913 196 L HN 0.310 nan 8.230 nan 0.000 0.440 197 N N -0.687 118.036 118.700 0.038 0.000 2.494 197 N HA -0.081 4.659 4.740 0.000 0.000 0.182 197 N C 0.053 175.601 175.510 0.064 0.000 1.076 197 N CA 0.788 53.866 53.050 0.045 0.000 0.908 197 N CB 0.125 38.631 38.487 0.032 0.000 0.967 197 N HN 0.208 nan 8.380 nan 0.000 0.449 198 D N -0.464 119.980 120.400 0.073 0.000 3.118 198 D HA 0.121 4.761 4.640 0.000 0.000 0.259 198 D C 0.668 177.017 176.300 0.083 0.000 1.292 198 D CA -0.162 53.891 54.000 0.089 0.000 0.784 198 D CB 0.021 40.858 40.800 0.062 0.000 1.413 198 D HN -0.306 nan 8.370 nan 0.000 0.583 199 V N 1.033 121.024 119.914 0.128 0.000 2.453 199 V HA -0.070 4.050 4.120 0.000 0.000 0.247 199 V C 2.587 178.639 176.094 -0.070 0.000 1.048 199 V CA 1.925 64.262 62.300 0.062 0.000 1.049 199 V CB -0.516 31.388 31.823 0.135 0.000 0.672 199 V HN 0.517 nan 8.190 nan 0.000 0.457 200 A N 0.786 123.501 122.820 -0.175 0.000 1.933 200 A HA -0.078 4.243 4.320 0.000 0.000 0.218 200 A C 2.413 179.985 177.584 -0.021 0.000 1.175 200 A CA 1.890 53.733 52.037 -0.323 0.000 0.628 200 A CB -1.143 17.601 19.000 -0.426 0.000 0.814 200 A HN 0.512 nan 8.150 nan 0.000 0.444 201 G N -0.459 108.361 108.800 0.033 0.000 2.418 201 G HA2 -0.001 3.959 3.960 0.000 0.000 0.217 201 G HA3 -0.001 3.959 3.960 0.000 0.000 0.217 201 G C 1.751 176.689 174.900 0.062 0.000 1.158 201 G CA 1.425 46.566 45.100 0.067 0.000 0.771 201 G HN 0.793 nan 8.290 nan 0.000 0.545 202 A N 1.093 123.935 122.820 0.037 0.000 1.933 202 A HA 0.282 4.602 4.320 0.000 0.000 0.218 202 A C 2.713 180.326 177.584 0.048 0.000 1.175 202 A CA 2.190 54.245 52.037 0.031 0.000 0.628 202 A CB -0.645 18.361 19.000 0.011 0.000 0.814 202 A HN 0.824 nan 8.150 nan 0.000 0.444 203 A N -1.031 121.816 122.820 0.046 0.000 2.167 203 A HA 0.130 4.451 4.320 0.000 0.000 0.214 203 A C 2.134 179.900 177.584 0.303 0.000 1.151 203 A CA 1.436 53.535 52.037 0.104 0.000 0.735 203 A CB -0.412 18.542 19.000 -0.077 0.000 0.802 203 A HN 0.394 nan 8.150 nan 0.000 0.467 204 S N -0.569 115.300 115.700 0.282 0.000 2.528 204 S HA 0.104 4.575 4.470 0.000 0.000 0.219 204 S C 0.627 175.279 174.600 0.087 0.000 0.985 204 S CA -0.030 58.301 58.200 0.219 0.000 0.914 204 S CB -0.097 63.206 63.200 0.171 0.000 0.776 204 S HN 0.273 nan 8.310 nan 0.000 0.526 205 V N 3.675 123.636 119.914 0.078 0.000 2.637 205 V HA 0.269 4.389 4.120 0.000 0.000 0.296 205 V C 0.581 176.696 176.094 0.036 0.000 1.046 205 V CA -0.139 62.187 62.300 0.043 0.000 1.066 205 V CB 0.720 32.564 31.823 0.036 0.000 0.968 205 V HN 0.444 nan 8.190 nan 0.000 0.483 206 T N 3.667 118.232 114.554 0.018 0.000 2.863 206 T HA 0.627 4.977 4.350 0.000 0.000 0.285 206 T C -2.911 171.794 174.700 0.009 0.000 1.009 206 T CA -2.388 59.720 62.100 0.013 0.000 0.989 206 T CB 2.004 70.871 68.868 -0.001 0.000 1.004 206 T HN 0.406 nan 8.240 nan 0.000 0.455 207 P HA 0.173 nan 4.420 nan 0.000 0.271 207 P C 0.828 178.142 177.300 0.023 0.000 1.216 207 P CA -0.714 62.395 63.100 0.015 0.000 0.776 207 P CB 0.531 32.238 31.700 0.012 0.000 0.881 208 L N 3.671 124.914 121.223 0.033 0.000 2.131 208 L HA -0.148 4.192 4.340 0.000 0.000 0.210 208 L C 2.043 178.929 176.870 0.028 0.000 1.092 208 L CA 2.064 56.929 54.840 0.041 0.000 0.759 208 L CB -1.491 40.603 42.059 0.059 0.000 0.903 208 L HN 0.445 nan 8.230 nan 0.000 0.435 209 A N -1.395 121.439 122.820 0.023 0.000 2.168 209 A HA -0.072 4.249 4.320 0.000 0.000 0.215 209 A C 1.021 178.609 177.584 0.007 0.000 1.152 209 A CA 0.349 52.394 52.037 0.013 0.000 0.716 209 A CB -0.598 18.409 19.000 0.012 0.000 0.794 209 A HN 0.550 nan 8.150 nan 0.000 0.465 210 E N 1.344 121.550 120.200 0.010 0.000 2.001 210 E HA 0.226 4.576 4.350 0.000 0.000 0.279 210 E C -0.850 175.755 176.600 0.008 0.000 1.045 210 E CA -0.160 56.245 56.400 0.008 0.000 0.833 210 E CB 0.418 30.123 29.700 0.008 0.000 1.077 210 E HN 0.248 nan 8.360 nan 0.000 0.397 211 Q N 3.299 123.103 119.800 0.006 0.000 2.932 211 Q HA 0.180 4.520 4.340 0.000 0.000 0.248 211 Q C -2.105 173.898 176.000 0.005 0.000 0.982 211 Q CA -1.803 54.004 55.803 0.005 0.000 0.730 211 Q CB 1.325 30.065 28.738 0.003 0.000 1.249 211 Q HN 0.363 nan 8.270 nan 0.000 0.476 212 P HA -0.170 nan 4.420 nan 0.000 0.215 212 P C 1.387 178.689 177.300 0.004 0.000 1.157 212 P CA 0.712 63.815 63.100 0.005 0.000 0.868 212 P CB 0.427 32.131 31.700 0.005 0.000 0.788 213 L N -1.107 120.117 121.223 0.002 0.000 2.007 213 L HA -0.053 4.287 4.340 0.000 0.000 0.205 213 L C 2.283 179.151 176.870 -0.003 0.000 1.073 213 L CA 1.720 56.559 54.840 -0.002 0.000 0.744 213 L CB -1.343 40.711 42.059 -0.007 0.000 0.898 213 L HN -0.180 nan 8.230 nan 0.000 0.435 214 L N -0.447 120.774 121.223 -0.003 0.000 2.093 214 L HA -0.087 4.253 4.340 0.000 0.000 0.208 214 L C 2.492 179.375 176.870 0.021 0.000 1.085 214 L CA 1.158 56.000 54.840 0.003 0.000 0.755 214 L CB -1.354 40.708 42.059 0.004 0.000 0.904 214 L HN 0.498 nan 8.230 nan 0.000 0.435 215 G N -0.273 108.537 108.800 0.017 0.000 2.443 215 G HA2 -0.258 3.703 3.960 0.000 0.000 0.219 215 G HA3 -0.258 3.703 3.960 0.000 0.000 0.219 215 G C 1.758 176.672 174.900 0.022 0.000 1.131 215 G CA 0.606 45.719 45.100 0.021 0.000 0.775 215 G HN 0.294 nan 8.290 nan 0.000 0.547 216 R N -0.224 120.284 120.500 0.014 0.000 2.062 216 R HA 0.195 4.536 4.340 0.000 0.000 0.226 216 R C 2.380 178.686 176.300 0.011 0.000 1.125 216 R CA 0.612 56.719 56.100 0.011 0.000 0.966 216 R CB -0.326 29.977 30.300 0.005 0.000 0.861 216 R HN 0.348 nan 8.270 nan 0.000 0.433 217 L N 0.324 121.551 121.223 0.006 0.000 2.109 217 L HA 0.051 4.391 4.340 0.000 0.000 0.207 217 L C 0.723 177.602 176.870 0.014 0.000 1.086 217 L CA 0.915 55.753 54.840 -0.003 0.000 0.760 217 L CB 0.131 42.177 42.059 -0.022 0.000 0.910 217 L HN 0.206 nan 8.230 nan 0.000 0.437 218 I N -0.908 119.688 120.570 0.043 0.000 2.719 218 I HA 0.161 4.332 4.170 0.000 0.000 0.275 218 I C -1.930 174.273 176.117 0.142 0.000 1.228 218 I CA -1.291 60.068 61.300 0.098 0.000 1.035 218 I CB 1.568 39.645 38.000 0.128 0.000 1.286 218 I HN -0.216 nan 8.210 nan 0.000 0.531 219 P HA -0.221 nan 4.420 nan 0.000 0.217 219 P C 1.622 178.999 177.300 0.129 0.000 1.148 219 P CA 1.441 64.596 63.100 0.092 0.000 0.834 219 P CB 0.109 31.847 31.700 0.064 0.000 0.783 220 W N 0.439 121.710 121.300 -0.047 0.000 2.308 220 W HA -0.275 4.385 4.660 0.000 0.000 0.301 220 W C 1.690 178.176 176.519 -0.055 0.000 1.220 220 W CA 1.330 58.636 57.345 -0.065 0.000 1.240 220 W CB -1.054 28.349 29.460 -0.095 0.000 1.142 220 W HN -0.271 nan 8.180 nan 0.000 0.521 221 V N 1.132 121.093 119.914 0.079 0.000 2.317 221 V HA -0.376 3.744 4.120 0.000 0.000 0.251 221 V C 2.125 178.059 176.094 -0.265 0.000 1.065 221 V CA 2.124 64.309 62.300 -0.191 0.000 1.049 221 V CB -0.805 31.032 31.823 0.023 0.000 0.651 221 V HN 0.243 nan 8.190 nan 0.000 0.450 222 I N -0.663 119.831 120.570 -0.128 0.000 2.556 222 I HA -0.000 4.170 4.170 0.000 0.000 0.251 222 I C 2.189 178.252 176.117 -0.090 0.000 1.105 222 I CA 0.973 62.220 61.300 -0.089 0.000 1.436 222 I CB -1.351 36.628 38.000 -0.034 0.000 1.139 222 I HN 0.276 nan 8.210 nan 0.000 0.438 223 D N 0.657 121.014 120.400 -0.071 0.000 2.144 223 D HA -0.213 4.428 4.640 0.000 0.000 0.199 223 D C 2.106 178.394 176.300 -0.020 0.000 0.984 223 D CA 1.377 55.361 54.000 -0.026 0.000 0.834 223 D CB 0.067 40.871 40.800 0.006 0.000 0.955 223 D HN 0.304 nan 8.370 nan 0.000 0.465 224 Q N 0.149 119.812 119.800 -0.228 0.000 2.252 224 Q HA 0.033 4.373 4.340 0.000 0.000 0.195 224 Q C 1.985 177.812 176.000 -0.289 0.000 0.974 224 Q CA 0.864 56.441 55.803 -0.376 0.000 0.846 224 Q CB -0.281 28.024 28.738 -0.721 0.000 0.943 224 Q HN 0.066 nan 8.270 nan 0.000 0.516 225 V N 0.044 119.649 119.914 -0.516 0.000 2.256 225 V HA -0.128 3.992 4.120 0.000 0.000 0.240 225 V C 2.317 178.524 176.094 0.188 0.000 1.036 225 V CA 1.587 63.812 62.300 -0.126 0.000 1.008 225 V CB -0.747 30.753 31.823 -0.538 0.000 0.648 225 V HN 0.244 nan 8.190 nan 0.000 0.453 226 V N 0.413 120.333 119.914 0.010 0.000 2.407 226 V HA -0.224 3.896 4.120 0.000 0.000 0.248 226 V C 2.094 178.269 176.094 0.134 0.000 1.055 226 V CA 2.060 64.416 62.300 0.093 0.000 1.049 226 V CB -0.708 31.122 31.823 0.011 0.000 0.662 226 V HN 0.536 nan 8.190 nan 0.000 0.455 227 D N -1.432 119.003 120.400 0.058 0.000 2.348 227 D HA -0.034 4.606 4.640 0.000 0.000 0.216 227 D C 0.901 177.103 176.300 -0.164 0.000 0.970 227 D CA 0.763 54.731 54.000 -0.054 0.000 0.889 227 D CB -0.159 40.559 40.800 -0.136 0.000 0.912 227 D HN 0.512 nan 8.370 nan 0.000 0.524 228 H N -0.009 119.155 119.070 0.157 0.000 2.418 228 H HA 0.147 4.704 4.556 0.001 0.000 0.238 228 H C -1.615 173.886 175.328 0.287 0.000 1.403 228 H CA -1.255 54.920 56.048 0.213 0.000 1.419 228 H CB 1.555 31.394 29.762 0.128 0.000 1.463 228 H HN 0.073 nan 8.280 nan 0.000 0.515 229 P HA -0.068 nan 4.420 nan 0.000 0.225 229 P C 0.085 177.343 177.300 -0.071 0.000 1.156 229 P CA 0.540 63.669 63.100 0.048 0.000 0.787 229 P CB 0.634 32.498 31.700 0.273 0.000 0.802 230 D N 0.662 121.121 120.400 0.097 0.000 2.264 230 D HA 0.051 4.691 4.640 0.000 0.000 0.249 230 D C 0.384 176.578 176.300 -0.177 0.000 1.070 230 D CA -0.256 53.748 54.000 0.008 0.000 0.912 230 D CB 0.032 40.914 40.800 0.137 0.000 1.193 230 D HN -0.148 nan 8.370 nan 0.000 0.427 231 N N 1.876 120.201 118.700 -0.625 0.000 2.971 231 N HA -0.015 4.725 4.740 0.000 0.000 0.294 231 N C -0.793 174.594 175.510 -0.206 0.000 1.210 231 N CA -0.280 52.255 53.050 -0.859 0.000 1.157 231 N CB -0.276 37.446 38.487 -1.275 0.000 1.450 231 N HN 0.295 nan 8.380 nan 0.000 0.527 232 D N -0.394 120.058 120.400 0.087 0.000 2.539 232 D HA 0.159 4.799 4.640 0.000 0.000 0.280 232 D C 0.810 177.158 176.300 0.080 0.000 1.208 232 D CA -0.284 53.771 54.000 0.092 0.000 1.088 232 D CB 0.247 41.141 40.800 0.156 0.000 1.149 232 D HN -0.016 nan 8.370 nan 0.000 0.596 233 E N -0.749 119.475 120.200 0.040 0.000 2.204 233 E HA -0.117 4.233 4.350 0.000 0.000 0.195 233 E C 2.002 178.579 176.600 -0.038 0.000 0.990 233 E CA 1.590 57.996 56.400 0.011 0.000 0.821 233 E CB -0.398 29.307 29.700 0.008 0.000 0.750 233 E HN 0.502 nan 8.360 nan 0.000 0.477 234 S N -0.687 114.924 115.700 -0.148 0.000 2.382 234 S HA -0.187 4.283 4.470 0.000 0.000 0.228 234 S C 1.851 176.275 174.600 -0.295 0.000 1.027 234 S CA 0.815 58.806 58.200 -0.349 0.000 0.991 234 S CB -0.700 62.015 63.200 -0.809 0.000 0.823 234 S HN 0.445 nan 8.310 nan 0.000 0.469 235 W N 1.638 122.901 121.300 -0.061 0.000 2.443 235 W HA 0.156 4.816 4.660 0.000 0.000 0.296 235 W C 2.953 179.476 176.519 0.007 0.000 1.202 235 W CA 0.137 57.492 57.345 0.015 0.000 1.312 235 W CB -0.165 29.308 29.460 0.020 0.000 1.120 235 W HN 0.218 nan 8.180 nan 0.000 0.536 236 Q N 0.228 120.143 119.800 0.193 0.000 2.135 236 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 236 Q C 2.028 178.081 176.000 0.088 0.000 0.981 236 Q CA 1.769 57.638 55.803 0.110 0.000 0.856 236 Q CB -1.135 27.637 28.738 0.057 0.000 0.902 236 Q HN 0.227 nan 8.270 nan 0.000 0.425 237 S N 1.189 116.924 115.700 0.059 0.000 2.383 237 S HA -0.125 4.345 4.470 0.000 0.000 0.229 237 S C 1.986 176.626 174.600 0.067 0.000 1.030 237 S CA 1.440 59.664 58.200 0.041 0.000 1.002 237 S CB -0.267 62.935 63.200 0.003 0.000 0.829 237 S HN 0.611 nan 8.310 nan 0.000 0.467 238 I N -1.339 119.293 120.570 0.102 0.000 3.860 238 I HA 0.270 4.440 4.170 0.000 0.000 0.319 238 I C 0.803 176.997 176.117 0.129 0.000 1.279 238 I CA -0.240 61.134 61.300 0.124 0.000 1.220 238 I CB -0.018 38.080 38.000 0.163 0.000 1.027 238 I HN 0.007 nan 8.210 nan 0.000 0.428 239 S N 1.576 117.362 115.700 0.143 0.000 2.549 239 S HA 0.260 4.730 4.470 0.000 0.000 0.283 239 S C 0.851 175.511 174.600 0.099 0.000 1.320 239 S CA -0.463 57.813 58.200 0.127 0.000 1.058 239 S CB 0.744 64.021 63.200 0.129 0.000 0.882 239 S HN 0.340 nan 8.310 nan 0.000 0.498 240 L N 5.180 126.457 121.223 0.090 0.000 2.590 240 L HA 0.226 4.566 4.340 0.000 0.000 0.227 240 L C 1.552 178.432 176.870 0.016 0.000 1.099 240 L CA 0.538 55.413 54.840 0.059 0.000 0.872 240 L CB -1.800 40.305 42.059 0.076 0.000 1.088 240 L HN 0.747 nan 8.230 nan 0.000 0.479 241 F N 2.078 121.970 119.950 -0.097 0.000 2.126 241 F HA -0.186 4.341 4.527 0.001 0.000 0.299 241 F C 2.389 178.130 175.800 -0.099 0.000 1.096 241 F CA 1.636 59.550 58.000 -0.144 0.000 1.255 241 F CB 0.294 39.218 39.000 -0.126 0.000 0.997 241 F HN 0.079 nan 8.300 nan 0.000 0.479 242 E N 0.119 120.335 120.200 0.028 0.000 2.268 242 E HA -0.131 4.220 4.350 0.000 0.000 0.195 242 E C 2.223 178.758 176.600 -0.110 0.000 0.995 242 E CA 0.707 57.085 56.400 -0.037 0.000 0.836 242 E CB -0.330 29.398 29.700 0.048 0.000 0.763 242 E HN 0.502 nan 8.360 nan 0.000 0.491 243 R N 0.158 120.602 120.500 -0.093 0.000 2.236 243 R HA 0.109 4.449 4.340 0.000 0.000 0.208 243 R C 2.382 178.609 176.300 -0.121 0.000 1.036 243 R CA 0.139 56.193 56.100 -0.076 0.000 1.001 243 R CB -0.050 30.237 30.300 -0.021 0.000 0.896 243 R HN 0.142 nan 8.270 nan 0.000 0.464 244 L N -0.598 120.476 121.223 -0.248 0.000 2.083 244 L HA -0.100 4.241 4.340 0.000 0.000 0.209 244 L C 2.426 179.170 176.870 -0.209 0.000 1.083 244 L CA 1.448 56.127 54.840 -0.268 0.000 0.752 244 L CB -0.792 40.938 42.059 -0.549 0.000 0.899 244 L HN 0.347 nan 8.230 nan 0.000 0.433 245 G N -0.268 108.386 108.800 -0.243 0.000 2.448 245 G HA2 -0.183 3.777 3.960 0.000 0.000 0.219 245 G HA3 -0.183 3.777 3.960 0.000 0.000 0.219 245 G C 1.482 176.328 174.900 -0.090 0.000 1.127 245 G CA 0.727 45.731 45.100 -0.160 0.000 0.766 245 G HN 0.509 nan 8.290 nan 0.000 0.552 246 G N -0.185 108.571 108.800 -0.073 0.000 2.813 246 G HA2 0.299 4.260 3.960 0.000 0.000 0.209 246 G HA3 0.299 4.260 3.960 0.000 0.000 0.209 246 G C 0.709 175.595 174.900 -0.023 0.000 1.150 246 G CA -0.376 44.700 45.100 -0.040 0.000 0.785 246 G HN 0.366 nan 8.290 nan 0.000 0.535 247 L N 0.140 121.351 121.223 -0.019 0.000 2.456 247 L HA 0.544 4.884 4.340 0.000 0.000 0.257 247 L C 0.647 177.518 176.870 0.002 0.000 1.162 247 L CA -0.517 54.328 54.840 0.008 0.000 0.808 247 L CB 1.494 43.582 42.059 0.048 0.000 1.136 247 L HN 0.041 nan 8.230 nan 0.000 0.466 248 A N 0.778 123.602 122.820 0.006 0.000 3.176 248 A HA 0.417 4.737 4.320 0.000 0.000 0.265 248 A C -0.223 177.354 177.584 -0.012 0.000 0.936 248 A CA -0.300 51.734 52.037 -0.005 0.000 1.033 248 A CB 0.167 19.162 19.000 -0.008 0.000 1.158 248 A HN 0.609 nan 8.150 nan 0.000 0.485 249 T N 2.906 117.463 114.554 0.005 0.000 2.770 249 T HA 0.500 4.850 4.350 0.000 0.000 0.283 249 T C -2.819 171.869 174.700 -0.020 0.000 0.988 249 T CA -1.103 60.989 62.100 -0.013 0.000 0.957 249 T CB 1.340 70.220 68.868 0.021 0.000 0.930 249 T HN 0.196 nan 8.240 nan 0.000 0.443 250 P HA 0.362 nan 4.420 nan 0.000 0.265 250 P C -1.262 176.147 177.300 0.181 0.000 1.193 250 P CA -0.215 62.825 63.100 -0.100 0.000 0.765 250 P CB 0.418 31.667 31.700 -0.752 0.000 0.823 251 A N 3.701 126.680 122.820 0.264 0.000 2.381 251 A HA 0.515 4.835 4.320 0.000 0.000 0.299 251 A C -1.177 176.351 177.584 -0.093 0.000 1.049 251 A CA -0.698 51.408 52.037 0.115 0.000 0.715 251 A CB 0.846 19.906 19.000 0.100 0.000 1.222 251 A HN 0.592 nan 8.150 nan 0.000 0.428 252 L N 4.309 125.214 121.223 -0.530 0.000 2.272 252 L HA 0.580 4.921 4.340 0.000 0.000 0.284 252 L C -1.272 175.409 176.870 -0.314 0.000 1.045 252 L CA -0.537 53.858 54.840 -0.743 0.000 0.842 252 L CB 0.100 41.253 42.059 -1.509 0.000 1.224 252 L HN 0.657 nan 8.230 nan 0.000 0.430 253 I N 4.067 124.575 120.570 -0.103 0.000 2.336 253 I HA 0.317 4.488 4.170 0.000 0.000 0.292 253 I C -0.012 176.096 176.117 -0.015 0.000 0.991 253 I CA -0.164 61.152 61.300 0.026 0.000 1.227 253 I CB 1.883 39.999 38.000 0.194 0.000 1.366 253 I HN 0.471 nan 8.210 nan 0.000 0.466 254 T N 5.240 119.814 114.554 0.033 0.000 2.855 254 T HA 0.823 5.173 4.350 0.000 0.000 0.281 254 T C -0.317 174.416 174.700 0.056 0.000 1.007 254 T CA -0.576 61.569 62.100 0.075 0.000 1.009 254 T CB 1.914 70.899 68.868 0.195 0.000 0.983 254 T HN 0.702 nan 8.240 nan 0.000 0.455 255 A N 1.347 124.170 122.820 0.005 0.000 2.564 255 A HA 0.989 5.309 4.320 0.000 0.000 0.288 255 A C -0.439 177.092 177.584 -0.088 0.000 1.164 255 A CA -0.788 51.211 52.037 -0.064 0.000 0.712 255 A CB 1.688 20.541 19.000 -0.244 0.000 1.303 255 A HN 1.078 nan 8.150 nan 0.000 0.418 256 G N -1.732 107.008 108.800 -0.100 0.000 2.638 256 G HA2 0.475 4.435 3.960 0.000 0.000 0.302 256 G HA3 0.475 4.435 3.960 0.000 0.000 0.302 256 G C -0.220 174.535 174.900 -0.241 0.000 1.365 256 G CA -0.517 44.480 45.100 -0.171 0.000 0.987 256 G HN 0.780 nan 8.290 nan 0.000 0.495 257 W N 0.329 121.490 121.300 -0.231 0.000 2.421 257 W HA -0.009 4.652 4.660 0.000 0.000 0.270 257 W C 0.842 177.069 176.519 -0.487 0.000 1.233 257 W CA 0.180 57.292 57.345 -0.388 0.000 1.226 257 W CB 0.094 29.216 29.460 -0.563 0.000 1.121 257 W HN 0.583 nan 8.180 nan 0.000 0.579 258 Y N -0.484 119.925 120.300 0.181 0.000 2.636 258 Y HA 0.188 4.738 4.550 0.001 0.000 0.260 258 Y C -0.059 175.919 175.900 0.131 0.000 1.177 258 Y CA -0.706 57.484 58.100 0.150 0.000 1.209 258 Y CB -0.308 38.240 38.460 0.147 0.000 1.166 258 Y HN -0.286 nan 8.280 nan 0.000 0.531 259 D N -0.683 119.845 120.400 0.213 0.000 2.210 259 D HA 0.265 4.906 4.640 0.000 0.000 0.249 259 D C 1.589 177.965 176.300 0.126 0.000 1.078 259 D CA 0.238 54.375 54.000 0.229 0.000 0.875 259 D CB 1.489 42.457 40.800 0.279 0.000 1.175 259 D HN 0.326 nan 8.370 nan 0.000 0.440 260 G N 2.225 111.040 108.800 0.025 0.000 2.475 260 G HA2 -0.268 3.693 3.960 0.000 0.000 0.220 260 G HA3 -0.268 3.693 3.960 0.000 0.000 0.220 260 G C 1.010 175.741 174.900 -0.282 0.000 1.125 260 G CA 0.511 45.488 45.100 -0.205 0.000 0.755 260 G HN 0.564 nan 8.290 nan 0.000 0.565 261 F N -0.377 119.527 119.950 -0.077 0.000 2.797 261 F HA 0.242 4.769 4.527 0.001 0.000 0.302 261 F C 2.226 178.010 175.800 -0.027 0.000 1.130 261 F CA -0.254 57.709 58.000 -0.063 0.000 1.387 261 F CB 0.274 39.258 39.000 -0.026 0.000 1.107 261 F HN 0.025 nan 8.300 nan 0.000 0.577 262 V N 0.364 120.351 119.914 0.122 0.000 2.332 262 V HA -0.229 3.892 4.120 0.000 0.000 0.248 262 V C 2.390 178.517 176.094 0.054 0.000 1.055 262 V CA 2.562 64.898 62.300 0.061 0.000 1.038 262 V CB -0.832 31.016 31.823 0.042 0.000 0.651 262 V HN 0.410 nan 8.190 nan 0.000 0.450 263 G N -1.030 107.808 108.800 0.062 0.000 2.418 263 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 263 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 263 G C 1.475 176.406 174.900 0.051 0.000 1.158 263 G CA 0.797 45.938 45.100 0.068 0.000 0.771 263 G HN 0.534 nan 8.290 nan 0.000 0.545 264 E N 0.938 121.160 120.200 0.036 0.000 2.152 264 E HA -0.013 4.338 4.350 0.000 0.000 0.192 264 E C 2.924 179.575 176.600 0.086 0.000 0.983 264 E CA 0.681 57.096 56.400 0.026 0.000 0.818 264 E CB -0.316 29.397 29.700 0.022 0.000 0.758 264 E HN 0.328 nan 8.360 nan 0.000 0.467 265 S N 1.249 117.021 115.700 0.121 0.000 2.356 265 S HA -0.102 4.368 4.470 0.000 0.000 0.223 265 S C 2.155 176.816 174.600 0.101 0.000 1.032 265 S CA 0.868 59.143 58.200 0.125 0.000 1.005 265 S CB -0.272 62.977 63.200 0.081 0.000 0.867 265 S HN 0.184 nan 8.310 nan 0.000 0.449 266 L N 0.796 122.038 121.223 0.032 0.000 2.083 266 L HA -0.079 4.262 4.340 0.000 0.000 0.209 266 L C 2.663 179.677 176.870 0.240 0.000 1.083 266 L CA 1.196 56.046 54.840 0.016 0.000 0.752 266 L CB -0.402 41.610 42.059 -0.078 0.000 0.899 266 L HN 0.200 nan 8.230 nan 0.000 0.433 267 R N -0.437 120.191 120.500 0.214 0.000 2.152 267 R HA -0.137 4.204 4.340 0.000 0.000 0.232 267 R C 2.432 178.945 176.300 0.354 0.000 1.117 267 R CA 1.771 58.031 56.100 0.267 0.000 0.981 267 R CB -0.487 29.864 30.300 0.084 0.000 0.870 267 R HN 0.547 nan 8.270 nan 0.000 0.451 268 T N -1.500 113.195 114.554 0.235 0.000 2.821 268 T HA -0.154 4.196 4.350 0.000 0.000 0.267 268 T C 1.670 176.457 174.700 0.146 0.000 1.046 268 T CA 0.842 62.970 62.100 0.047 0.000 1.139 268 T CB -0.387 68.365 68.868 -0.193 0.000 0.871 268 T HN 0.205 nan 8.240 nan 0.000 0.454 269 F N 2.316 122.348 119.950 0.136 0.000 2.102 269 F HA -0.027 4.500 4.527 0.000 0.000 0.298 269 F C 2.257 178.154 175.800 0.162 0.000 1.105 269 F CA 1.122 59.213 58.000 0.152 0.000 1.239 269 F CB -0.520 38.552 39.000 0.119 0.000 0.991 269 F HN 0.006 nan 8.300 nan 0.000 0.474 270 V N 0.501 120.585 119.914 0.283 0.000 2.490 270 V HA -0.285 3.835 4.120 0.000 0.000 0.250 270 V C 2.673 178.773 176.094 0.011 0.000 1.061 270 V CA 1.681 64.085 62.300 0.174 0.000 1.064 270 V CB -1.541 30.473 31.823 0.319 0.000 0.670 270 V HN 0.503 nan 8.190 nan 0.000 0.461 271 A N 0.210 123.024 122.820 -0.011 0.000 2.014 271 A HA -0.052 4.269 4.320 0.000 0.000 0.218 271 A C 2.185 179.665 177.584 -0.173 0.000 1.163 271 A CA 1.849 53.789 52.037 -0.162 0.000 0.652 271 A CB -0.292 18.433 19.000 -0.458 0.000 0.808 271 A HN 0.692 nan 8.150 nan 0.000 0.449 272 V N -2.237 117.589 119.914 -0.147 0.000 3.661 272 V HA 0.074 4.194 4.120 0.000 0.000 0.271 272 V C 1.773 177.779 176.094 -0.148 0.000 1.315 272 V CA 0.964 63.205 62.300 -0.099 0.000 1.072 272 V CB -0.440 31.406 31.823 0.039 0.000 0.830 272 V HN 0.629 nan 8.190 nan 0.000 0.443 273 K N 0.538 120.766 120.400 -0.287 0.000 2.209 273 K HA -0.136 4.184 4.320 0.000 0.000 0.204 273 K C 1.307 177.819 176.600 -0.146 0.000 1.048 273 K CA 1.913 57.996 56.287 -0.340 0.000 0.940 273 K CB -0.422 31.707 32.500 -0.619 0.000 0.729 273 K HN 0.396 nan 8.250 nan 0.000 0.451 274 D N 0.826 121.165 120.400 -0.102 0.000 2.277 274 D HA -0.048 4.593 4.640 0.000 0.000 0.208 274 D C 0.968 177.247 176.300 -0.034 0.000 0.962 274 D CA 0.735 54.705 54.000 -0.050 0.000 0.865 274 D CB 0.025 40.803 40.800 -0.037 0.000 0.939 274 D HN 0.278 nan 8.370 nan 0.000 0.510 275 N N -0.394 118.281 118.700 -0.041 0.000 2.250 275 N HA 0.263 5.003 4.740 0.000 0.000 0.190 275 N C -0.037 175.462 175.510 -0.017 0.000 1.116 275 N CA 0.096 53.131 53.050 -0.025 0.000 0.881 275 N CB 1.464 39.934 38.487 -0.027 0.000 1.006 275 N HN 0.039 nan 8.380 nan 0.000 0.491 276 A N -0.439 122.368 122.820 -0.021 0.000 2.581 276 A HA 0.355 4.675 4.320 0.000 0.000 0.290 276 A C -1.692 175.895 177.584 0.005 0.000 1.119 276 A CA -0.697 51.331 52.037 -0.015 0.000 0.670 276 A CB 0.599 19.580 19.000 -0.031 0.000 1.280 276 A HN -0.012 nan 8.150 nan 0.000 0.425 277 D N 1.026 121.441 120.400 0.024 0.000 2.367 277 D HA 0.482 5.123 4.640 0.000 0.000 0.255 277 D C 0.265 176.669 176.300 0.172 0.000 1.300 277 D CA 0.890 54.962 54.000 0.119 0.000 0.959 277 D CB 0.263 41.199 40.800 0.227 0.000 1.064 277 D HN 0.810 nan 8.370 nan 0.000 0.509 278 A N 4.755 127.651 122.820 0.127 0.000 2.303 278 A HA 0.785 5.105 4.320 0.000 0.000 0.317 278 A C 0.011 177.810 177.584 0.358 0.000 1.149 278 A CA -0.767 51.372 52.037 0.170 0.000 0.822 278 A CB 0.954 19.885 19.000 -0.114 0.000 1.131 278 A HN 0.507 nan 8.150 nan 0.000 0.493 279 R N 0.348 121.041 120.500 0.321 0.000 2.807 279 R HA 0.684 5.024 4.340 0.000 0.000 0.276 279 R C -1.884 174.482 176.300 0.111 0.000 0.979 279 R CA -0.814 55.413 56.100 0.211 0.000 0.928 279 R CB 1.687 31.964 30.300 -0.040 0.000 1.191 279 R HN 0.606 nan 8.270 nan 0.000 0.471 280 L N 0.928 122.084 121.223 -0.113 0.000 2.436 280 L HA 0.556 4.897 4.340 0.000 0.000 0.268 280 L C -1.474 175.272 176.870 -0.207 0.000 0.974 280 L CA -0.665 53.984 54.840 -0.318 0.000 0.826 280 L CB 2.341 43.873 42.059 -0.879 0.000 1.291 280 L HN 0.338 nan 8.230 nan 0.000 0.406 281 V N 5.339 125.163 119.914 -0.151 0.000 2.525 281 V HA 0.649 4.769 4.120 0.000 0.000 0.299 281 V C -0.925 175.122 176.094 -0.079 0.000 1.034 281 V CA -0.626 61.650 62.300 -0.040 0.000 0.863 281 V CB 2.059 33.901 31.823 0.032 0.000 0.999 281 V HN 0.497 nan 8.190 nan 0.000 0.423 282 V N 3.903 123.724 119.914 -0.156 0.000 2.443 282 V HA 0.812 4.933 4.120 0.000 0.000 0.293 282 V C 0.585 176.248 176.094 -0.718 0.000 1.021 282 V CA -0.232 61.715 62.300 -0.589 0.000 0.848 282 V CB 1.527 32.628 31.823 -1.203 0.000 0.998 282 V HN 0.923 nan 8.190 nan 0.000 0.424 283 G N 4.159 112.243 108.800 -1.193 0.000 2.601 283 G HA2 0.689 4.650 3.960 0.000 0.000 0.317 283 G HA3 0.689 4.650 3.960 0.000 0.000 0.317 283 G C -2.410 171.456 174.900 -1.723 0.000 1.246 283 G CA -1.567 42.309 45.100 -2.040 0.000 1.012 283 G HN 0.513 nan 8.290 nan 0.000 0.494 284 P HA 0.164 nan 4.420 nan 0.000 0.236 284 P C -0.683 176.435 177.300 -0.303 0.000 1.749 284 P CA -0.285 62.371 63.100 -0.739 0.000 0.994 284 P CB 0.064 30.998 31.700 -1.276 0.000 1.599 285 W N 1.052 122.361 121.300 0.015 0.000 2.436 285 W HA 0.376 5.036 4.660 0.000 0.000 0.347 285 W C 1.014 177.634 176.519 0.168 0.000 1.136 285 W CA -0.447 56.945 57.345 0.078 0.000 1.286 285 W CB 0.649 30.123 29.460 0.024 0.000 1.253 285 W HN -0.014 nan 8.180 nan 0.000 0.617 286 S N -0.750 115.177 115.700 0.379 0.000 2.745 286 S HA 0.181 4.651 4.470 0.000 0.000 0.292 286 S C 0.641 175.377 174.600 0.227 0.000 1.133 286 S CA -0.234 58.140 58.200 0.289 0.000 0.998 286 S CB 1.587 64.909 63.200 0.204 0.000 1.087 286 S HN 0.507 nan 8.310 nan 0.000 0.551 287 H N 0.933 120.050 119.070 0.080 0.000 2.421 287 H HA -0.006 4.550 4.556 0.000 0.000 0.298 287 H C 1.943 177.248 175.328 -0.039 0.000 1.087 287 H CA 2.287 58.355 56.048 0.033 0.000 1.330 287 H CB -0.033 29.740 29.762 0.019 0.000 1.388 287 H HN 0.690 nan 8.280 nan 0.000 0.526 288 S N -1.669 114.036 115.700 0.009 0.000 2.559 288 S HA 0.090 4.560 4.470 0.000 0.000 0.226 288 S C 0.332 174.902 174.600 -0.051 0.000 1.000 288 S CA -0.437 57.722 58.200 -0.069 0.000 0.948 288 S CB 0.263 63.410 63.200 -0.088 0.000 0.870 288 S HN 0.273 nan 8.310 nan 0.000 0.497 289 N N 1.167 119.866 118.700 -0.002 0.000 2.617 289 N HA 0.389 5.130 4.740 0.000 0.000 0.263 289 N C -0.984 174.569 175.510 0.072 0.000 1.074 289 N CA -0.493 52.571 53.050 0.024 0.000 0.841 289 N CB 1.006 39.521 38.487 0.047 0.000 1.221 289 N HN 0.139 nan 8.380 nan 0.000 0.529 290 L N 2.309 123.504 121.223 -0.047 0.000 2.928 290 L HA 0.258 4.598 4.340 0.000 0.000 0.246 290 L C 1.966 178.832 176.870 -0.007 0.000 1.239 290 L CA 0.091 54.826 54.840 -0.175 0.000 1.035 290 L CB 0.161 41.848 42.059 -0.620 0.000 1.360 290 L HN 0.598 nan 8.230 nan 0.000 0.529 291 T N -4.491 110.122 114.554 0.100 0.000 3.043 291 T HA 0.165 4.516 4.350 0.000 0.000 0.263 291 T C 1.733 176.550 174.700 0.196 0.000 1.094 291 T CA 0.723 62.890 62.100 0.112 0.000 1.127 291 T CB 0.054 68.960 68.868 0.064 0.000 0.905 291 T HN 0.401 nan 8.240 nan 0.000 0.490 292 G N 1.617 110.594 108.800 0.297 0.000 2.179 292 G HA2 -0.259 3.701 3.960 0.000 0.000 0.260 292 G HA3 -0.259 3.701 3.960 0.000 0.000 0.260 292 G C 0.148 175.192 174.900 0.240 0.000 0.977 292 G CA 0.070 45.366 45.100 0.327 0.000 0.641 292 G HN 0.710 nan 8.290 nan 0.000 0.533 293 R N 0.602 121.176 120.500 0.125 0.000 2.445 293 R HA 0.602 4.942 4.340 0.000 0.000 0.308 293 R C -0.393 175.895 176.300 -0.019 0.000 0.961 293 R CA -0.658 55.451 56.100 0.016 0.000 0.862 293 R CB 1.035 31.340 30.300 0.009 0.000 1.144 293 R HN 0.251 nan 8.270 nan 0.000 0.447 294 N N 0.329 118.968 118.700 -0.102 0.000 2.571 294 N HA 0.223 4.963 4.740 0.000 0.000 0.273 294 N C 0.352 175.779 175.510 -0.139 0.000 1.340 294 N CA -0.398 52.581 53.050 -0.119 0.000 0.789 294 N CB 1.878 40.267 38.487 -0.163 0.000 1.514 294 N HN 0.487 nan 8.380 nan 0.000 0.499 295 A N 0.187 122.932 122.820 -0.125 0.000 1.917 295 A HA -0.166 4.154 4.320 0.000 0.000 0.219 295 A C 0.733 178.233 177.584 -0.140 0.000 1.182 295 A CA 1.782 53.750 52.037 -0.115 0.000 0.633 295 A CB -0.156 18.782 19.000 -0.103 0.000 0.819 295 A HN 0.663 nan 8.150 nan 0.000 0.448 296 D N -2.407 117.884 120.400 -0.182 0.000 2.563 296 D HA 0.273 4.913 4.640 0.000 0.000 0.237 296 D C -0.170 175.946 176.300 -0.308 0.000 1.282 296 D CA 0.039 53.909 54.000 -0.217 0.000 0.816 296 D CB 0.596 41.274 40.800 -0.204 0.000 1.066 296 D HN 0.248 nan 8.370 nan 0.000 0.501 297 R N 0.838 121.140 120.500 -0.330 0.000 2.523 297 R HA 0.288 4.628 4.340 0.000 0.000 0.278 297 R C -1.826 174.158 176.300 -0.526 0.000 1.150 297 R CA -0.393 55.423 56.100 -0.474 0.000 0.987 297 R CB 0.907 30.872 30.300 -0.558 0.000 1.232 297 R HN -0.326 nan 8.270 nan 0.000 0.424 298 K N 3.908 124.035 120.400 -0.454 0.000 2.376 298 K HA 0.406 4.726 4.320 0.000 0.000 0.257 298 K C -0.453 175.969 176.600 -0.296 0.000 0.939 298 K CA -0.319 55.773 56.287 -0.324 0.000 0.809 298 K CB 0.907 33.327 32.500 -0.132 0.000 1.121 298 K HN 0.412 nan 8.250 nan 0.000 0.425 299 F N 1.101 121.080 119.950 0.049 0.000 2.765 299 F HA 0.304 4.831 4.527 0.001 0.000 0.302 299 F C 1.087 176.976 175.800 0.149 0.000 1.111 299 F CA 0.132 58.197 58.000 0.107 0.000 1.359 299 F CB 0.183 39.168 39.000 -0.024 0.000 1.097 299 F HN 0.742 nan 8.300 nan 0.000 0.577 300 G N 0.709 109.645 108.800 0.226 0.000 2.662 300 G HA2 -0.234 3.726 3.960 0.000 0.000 0.686 300 G HA3 -0.234 3.726 3.960 0.000 0.000 0.686 300 G C 0.530 175.540 174.900 0.183 0.000 1.271 300 G CA -0.333 44.883 45.100 0.193 0.000 0.816 300 G HN 0.262 nan 8.290 nan 0.000 0.608 301 I N 0.910 121.572 120.570 0.153 0.000 2.423 301 I HA -0.007 4.163 4.170 0.000 0.000 0.254 301 I C 2.706 178.937 176.117 0.190 0.000 1.151 301 I CA 2.506 63.891 61.300 0.142 0.000 1.421 301 I CB -0.156 37.908 38.000 0.105 0.000 1.079 301 I HN 0.980 nan 8.210 nan 0.000 0.431 302 A N 0.422 123.394 122.820 0.252 0.000 2.070 302 A HA -0.067 4.254 4.320 0.000 0.000 0.220 302 A C 2.371 180.249 177.584 0.490 0.000 1.159 302 A CA 1.440 53.705 52.037 0.379 0.000 0.656 302 A CB -0.753 18.527 19.000 0.467 0.000 0.800 302 A HN 0.550 nan 8.150 nan 0.000 0.453 303 A N -0.833 122.122 122.820 0.225 0.000 2.067 303 A HA 0.180 4.500 4.320 0.000 0.000 0.217 303 A C 1.312 179.077 177.584 0.302 0.000 1.156 303 A CA 0.972 52.932 52.037 -0.128 0.000 0.683 303 A CB -0.824 17.861 19.000 -0.526 0.000 0.808 303 A HN 0.334 nan 8.150 nan 0.000 0.455 304 T N 0.524 115.253 114.554 0.292 0.000 2.905 304 T HA 0.069 4.419 4.350 0.000 0.000 0.299 304 T C -0.031 174.858 174.700 0.314 0.000 1.024 304 T CA 0.138 62.406 62.100 0.281 0.000 1.151 304 T CB -0.172 68.789 68.868 0.155 0.000 0.987 304 T HN 0.292 nan 8.240 nan 0.000 0.535 305 Y N 6.780 127.093 120.300 0.021 0.000 2.852 305 Y HA 0.090 4.640 4.550 0.001 0.000 0.343 305 Y C -1.708 174.148 175.900 -0.072 0.000 1.280 305 Y CA -1.989 55.964 58.100 -0.246 0.000 1.604 305 Y CB 0.338 38.378 38.460 -0.700 0.000 1.216 305 Y HN 0.374 nan 8.280 nan 0.000 0.541 306 P HA 0.092 nan 4.420 nan 0.000 0.232 306 P C 0.850 177.851 177.300 -0.499 0.000 1.814 306 P CA 0.197 63.077 63.100 -0.368 0.000 1.085 306 P CB 0.154 31.670 31.700 -0.308 0.000 1.901 307 I N 1.599 121.961 120.570 -0.347 0.000 2.286 307 I HA -0.284 3.887 4.170 0.000 0.000 0.248 307 I C 2.401 178.418 176.117 -0.167 0.000 1.115 307 I CA 1.487 62.665 61.300 -0.205 0.000 1.392 307 I CB 0.115 38.117 38.000 0.004 0.000 1.065 307 I HN 0.172 nan 8.210 nan 0.000 0.418 308 Q N 0.764 120.475 119.800 -0.149 0.000 2.030 308 Q HA -0.286 4.054 4.340 0.000 0.000 0.204 308 Q C 2.053 177.985 176.000 -0.113 0.000 0.986 308 Q CA 2.305 58.037 55.803 -0.119 0.000 0.843 308 Q CB -0.100 28.579 28.738 -0.098 0.000 0.904 308 Q HN 0.560 nan 8.270 nan 0.000 0.420 309 E N -0.213 119.898 120.200 -0.148 0.000 2.110 309 E HA -0.197 4.153 4.350 0.000 0.000 0.193 309 E C 1.931 178.456 176.600 -0.124 0.000 0.988 309 E CA 0.807 57.118 56.400 -0.147 0.000 0.804 309 E CB -0.165 29.406 29.700 -0.214 0.000 0.745 309 E HN 0.486 nan 8.360 nan 0.000 0.458 310 A N 0.996 123.716 122.820 -0.166 0.000 1.902 310 A HA -0.191 4.130 4.320 0.000 0.000 0.217 310 A C 2.376 180.018 177.584 0.097 0.000 1.181 310 A CA 1.921 53.933 52.037 -0.042 0.000 0.623 310 A CB -0.869 18.056 19.000 -0.126 0.000 0.818 310 A HN 0.181 nan 8.150 nan 0.000 0.443 311 T N -0.212 114.343 114.554 0.001 0.000 2.708 311 T HA -0.125 4.226 4.350 0.000 0.000 0.266 311 T C 2.019 176.827 174.700 0.180 0.000 1.037 311 T CA 1.943 64.080 62.100 0.062 0.000 1.146 311 T CB -0.627 68.189 68.868 -0.088 0.000 0.865 311 T HN 0.553 nan 8.240 nan 0.000 0.435 312 T N 2.147 116.746 114.554 0.076 0.000 2.720 312 T HA -0.050 4.300 4.350 0.000 0.000 0.268 312 T C 1.953 176.695 174.700 0.069 0.000 1.037 312 T CA 1.211 63.353 62.100 0.070 0.000 1.144 312 T CB -0.339 68.537 68.868 0.013 0.000 0.864 312 T HN 0.286 nan 8.240 nan 0.000 0.444 313 M N -0.078 119.550 119.600 0.046 0.000 2.132 313 M HA -0.143 4.338 4.480 0.000 0.000 0.263 313 M C 2.183 178.460 176.300 -0.037 0.000 1.065 313 M CA 1.746 57.042 55.300 -0.006 0.000 1.122 313 M CB -0.178 32.387 32.600 -0.058 0.000 1.365 313 M HN 0.284 nan 8.290 nan 0.000 0.411 314 H N -0.096 118.902 119.070 -0.119 0.000 2.353 314 H HA -0.153 4.403 4.556 0.001 0.000 0.300 314 H C 2.041 177.148 175.328 -0.369 0.000 1.090 314 H CA 2.065 57.922 56.048 -0.318 0.000 1.327 314 H CB -0.155 29.520 29.762 -0.146 0.000 1.383 314 H HN 0.331 nan 8.280 nan 0.000 0.508 315 K N 0.161 120.575 120.400 0.024 0.000 2.057 315 K HA -0.104 4.217 4.320 0.000 0.000 0.207 315 K C 2.294 178.920 176.600 0.043 0.000 1.049 315 K CA 0.999 57.288 56.287 0.004 0.000 0.931 315 K CB -0.092 32.528 32.500 0.200 0.000 0.714 315 K HN 0.277 nan 8.250 nan 0.000 0.440 316 A N 0.575 123.418 122.820 0.038 0.000 1.902 316 A HA -0.166 4.155 4.320 0.000 0.000 0.217 316 A C 1.994 179.583 177.584 0.009 0.000 1.181 316 A CA 1.331 53.387 52.037 0.031 0.000 0.623 316 A CB -0.800 18.215 19.000 0.025 0.000 0.818 316 A HN 0.500 nan 8.150 nan 0.000 0.443 317 F N -0.252 119.570 119.950 -0.212 0.000 2.102 317 F HA -0.143 4.385 4.527 0.001 0.000 0.298 317 F C 1.843 177.561 175.800 -0.136 0.000 1.105 317 F CA 1.685 59.540 58.000 -0.242 0.000 1.239 317 F CB -0.336 38.392 39.000 -0.454 0.000 0.991 317 F HN 0.212 nan 8.300 nan 0.000 0.474 318 F N 0.812 120.760 119.950 -0.004 0.000 2.186 318 F HA -0.121 4.406 4.527 0.000 0.000 0.299 318 F C 2.313 178.131 175.800 0.030 0.000 1.090 318 F CA 1.135 59.093 58.000 -0.071 0.000 1.307 318 F CB -1.295 37.545 39.000 -0.267 0.000 1.019 318 F HN -0.025 nan 8.300 nan 0.000 0.489 319 D N -0.096 120.433 120.400 0.215 0.000 2.123 319 D HA -0.180 4.461 4.640 0.000 0.000 0.196 319 D C 2.354 178.644 176.300 -0.017 0.000 0.992 319 D CA 1.101 55.185 54.000 0.141 0.000 0.833 319 D CB -0.291 40.574 40.800 0.107 0.000 0.954 319 D HN 0.075 nan 8.370 nan 0.000 0.455 320 R N 0.070 120.471 120.500 -0.165 0.000 2.073 320 R HA -0.106 4.235 4.340 0.000 0.000 0.234 320 R C 1.973 178.031 176.300 -0.404 0.000 1.134 320 R CA 1.586 57.465 56.100 -0.368 0.000 0.952 320 R CB -0.350 29.565 30.300 -0.641 0.000 0.850 320 R HN 0.306 nan 8.270 nan 0.000 0.433 321 H N -1.449 117.530 119.070 -0.153 0.000 2.553 321 H HA 0.169 4.725 4.556 0.001 0.000 0.276 321 H C 1.346 176.648 175.328 -0.044 0.000 0.979 321 H CA 0.838 56.794 56.048 -0.152 0.000 1.268 321 H CB 0.502 30.066 29.762 -0.331 0.000 1.450 321 H HN 0.143 nan 8.280 nan 0.000 0.527 322 L N -0.212 121.087 121.223 0.127 0.000 2.408 322 L HA 0.141 4.481 4.340 0.000 0.000 0.215 322 L C 2.214 179.118 176.870 0.058 0.000 1.081 322 L CA 0.846 55.756 54.840 0.118 0.000 0.840 322 L CB 0.144 42.325 42.059 0.202 0.000 1.002 322 L HN -0.035 nan 8.230 nan 0.000 0.468 323 R N -0.719 119.807 120.500 0.044 0.000 2.265 323 R HA 0.295 4.636 4.340 0.000 0.000 0.194 323 R C 1.036 177.326 176.300 -0.017 0.000 0.931 323 R CA 0.661 56.758 56.100 -0.006 0.000 1.032 323 R CB 0.223 30.517 30.300 -0.011 0.000 0.980 323 R HN 0.312 nan 8.270 nan 0.000 0.497 324 G N 2.190 110.975 108.800 -0.025 0.000 2.147 324 G HA2 -0.283 3.678 3.960 0.000 0.000 0.244 324 G HA3 -0.283 3.678 3.960 0.000 0.000 0.244 324 G C -0.431 174.442 174.900 -0.046 0.000 1.005 324 G CA -0.066 45.011 45.100 -0.037 0.000 0.713 324 G HN 0.372 nan 8.290 nan 0.000 0.515 325 E N 1.069 121.237 120.200 -0.055 0.000 1.932 325 E HA 0.295 4.645 4.350 0.000 0.000 0.275 325 E C 1.841 178.400 176.600 -0.068 0.000 1.159 325 E CA 0.284 56.656 56.400 -0.046 0.000 0.905 325 E CB 0.334 30.017 29.700 -0.028 0.000 1.059 325 E HN 0.489 nan 8.360 nan 0.000 0.400 326 T N -0.434 114.088 114.554 -0.053 0.000 2.881 326 T HA -0.189 4.161 4.350 0.000 0.000 0.270 326 T C 1.213 175.881 174.700 -0.052 0.000 1.068 326 T CA 1.044 63.110 62.100 -0.057 0.000 1.131 326 T CB 0.081 68.930 68.868 -0.033 0.000 0.871 326 T HN 0.182 nan 8.240 nan 0.000 0.479 327 D N 0.483 120.860 120.400 -0.037 0.000 2.368 327 D HA 0.506 5.147 4.640 0.000 0.000 0.218 327 D C 1.901 178.185 176.300 -0.027 0.000 1.112 327 D CA 0.326 54.311 54.000 -0.026 0.000 0.834 327 D CB -0.161 40.632 40.800 -0.013 0.000 0.953 327 D HN 0.431 nan 8.370 nan 0.000 0.505 328 A N -0.229 122.565 122.820 -0.044 0.000 2.019 328 A HA -0.056 4.264 4.320 0.000 0.000 0.219 328 A C 1.764 179.333 177.584 -0.024 0.000 1.164 328 A CA 0.802 52.819 52.037 -0.033 0.000 0.644 328 A CB -0.317 18.654 19.000 -0.048 0.000 0.805 328 A HN 0.374 nan 8.150 nan 0.000 0.449 329 L N -0.101 121.102 121.223 -0.033 0.000 2.685 329 L HA 0.269 4.609 4.340 0.000 0.000 0.233 329 L C 1.014 177.890 176.870 0.009 0.000 1.173 329 L CA -0.382 54.457 54.840 -0.002 0.000 0.961 329 L CB -0.158 41.909 42.059 0.014 0.000 1.217 329 L HN 0.336 nan 8.230 nan 0.000 0.478 330 A N 0.159 122.980 122.820 0.002 0.000 2.548 330 A HA 0.361 4.681 4.320 0.000 0.000 0.247 330 A C 1.521 179.111 177.584 0.011 0.000 1.067 330 A CA 0.827 52.869 52.037 0.008 0.000 0.757 330 A CB -0.261 18.741 19.000 0.004 0.000 0.996 330 A HN 0.652 nan 8.150 nan 0.000 0.504 331 G N 1.157 109.966 108.800 0.015 0.000 2.184 331 G HA2 -0.196 3.764 3.960 0.000 0.000 0.264 331 G HA3 -0.196 3.764 3.960 0.000 0.000 0.264 331 G C 0.249 175.157 174.900 0.014 0.000 0.975 331 G CA 0.238 45.346 45.100 0.014 0.000 0.642 331 G HN 1.494 nan 8.290 nan 0.000 0.536 332 V N 3.573 123.498 119.914 0.017 0.000 2.461 332 V HA 0.464 4.584 4.120 0.000 0.000 0.275 332 V C -0.688 175.425 176.094 0.031 0.000 1.047 332 V CA -1.130 61.179 62.300 0.015 0.000 0.955 332 V CB 1.192 33.026 31.823 0.018 0.000 0.988 332 V HN 0.321 nan 8.190 nan 0.000 0.471 333 P HA 0.235 nan 4.420 nan 0.000 0.274 333 P C 0.270 177.609 177.300 0.064 0.000 1.237 333 P CA -0.532 62.596 63.100 0.047 0.000 0.793 333 P CB 1.466 33.191 31.700 0.041 0.000 0.977 334 K N 0.669 121.128 120.400 0.097 0.000 2.057 334 K HA 0.034 4.354 4.320 0.000 0.000 0.206 334 K C 0.315 176.979 176.600 0.107 0.000 1.050 334 K CA 1.303 57.678 56.287 0.147 0.000 0.935 334 K CB -0.277 32.341 32.500 0.198 0.000 0.715 334 K HN 0.320 nan 8.250 nan 0.000 0.439 335 V N 0.364 120.320 119.914 0.070 0.000 2.709 335 V HA 0.452 4.572 4.120 0.000 0.000 0.308 335 V C -1.128 174.992 176.094 0.044 0.000 1.062 335 V CA -0.987 61.314 62.300 0.001 0.000 0.901 335 V CB 1.883 33.723 31.823 0.028 0.000 1.003 335 V HN 0.130 nan 8.190 nan 0.000 0.425 336 R N 4.233 124.756 120.500 0.039 0.000 2.502 336 R HA 0.723 5.063 4.340 0.000 0.000 0.298 336 R C -1.951 174.503 176.300 0.258 0.000 1.018 336 R CA -0.466 55.718 56.100 0.139 0.000 0.899 336 R CB 1.200 31.542 30.300 0.070 0.000 1.181 336 R HN 0.730 nan 8.270 nan 0.000 0.444 337 L N 4.438 125.842 121.223 0.301 0.000 2.346 337 L HA 0.513 4.854 4.340 0.000 0.000 0.274 337 L C -0.595 176.355 176.870 0.133 0.000 1.007 337 L CA -1.039 53.945 54.840 0.241 0.000 0.818 337 L CB 1.750 43.967 42.059 0.263 0.000 1.284 337 L HN 0.544 nan 8.230 nan 0.000 0.424 338 F N 3.249 122.940 119.950 -0.432 0.000 2.404 338 F HA 0.323 4.850 4.527 0.000 0.000 0.359 338 F C -0.013 175.623 175.800 -0.273 0.000 1.134 338 F CA -0.432 57.064 58.000 -0.839 0.000 1.160 338 F CB 0.811 38.901 39.000 -1.516 0.000 1.186 338 F HN 0.048 nan 8.300 nan 0.000 0.526 339 V N 8.312 127.836 119.914 -0.650 0.000 2.389 339 V HA 0.119 4.239 4.120 0.000 0.000 0.264 339 V C 0.607 176.351 176.094 -0.584 0.000 1.049 339 V CA -0.397 61.631 62.300 -0.453 0.000 0.932 339 V CB 0.406 32.039 31.823 -0.316 0.000 1.011 339 V HN 0.752 nan 8.190 nan 0.000 0.475 340 M N 3.466 122.841 119.600 -0.375 0.000 2.198 340 M HA 0.478 4.958 4.480 0.000 0.000 0.315 340 M C 1.540 177.728 176.300 -0.187 0.000 1.134 340 M CA 1.233 56.429 55.300 -0.173 0.000 1.171 340 M CB 0.598 33.168 32.600 -0.051 0.000 1.413 340 M HN 0.870 nan 8.290 nan 0.000 0.467 341 G N 1.215 109.988 108.800 -0.046 0.000 4.890 341 G HA2 -0.318 3.642 3.960 0.000 0.000 0.221 341 G HA3 -0.318 3.642 3.960 0.000 0.000 0.221 341 G C 0.668 175.490 174.900 -0.130 0.000 1.472 341 G CA 0.488 45.496 45.100 -0.153 0.000 0.962 341 G HN 0.869 nan 8.290 nan 0.000 0.671 342 I N -1.333 119.129 120.570 -0.179 0.000 2.614 342 I HA 0.191 4.361 4.170 0.000 0.000 0.258 342 I C 0.575 176.598 176.117 -0.156 0.000 1.189 342 I CA 1.559 62.768 61.300 -0.151 0.000 1.462 342 I CB -0.514 37.389 38.000 -0.162 0.000 1.092 342 I HN 0.236 nan 8.210 nan 0.000 0.442 343 D N 2.593 122.844 120.400 -0.249 0.000 2.746 343 D HA -0.160 4.480 4.640 0.000 0.000 0.241 343 D C -0.400 175.598 176.300 -0.503 0.000 1.140 343 D CA 0.977 54.804 54.000 -0.288 0.000 0.707 343 D CB -1.049 39.880 40.800 0.215 0.000 1.034 343 D HN 0.745 nan 8.370 nan 0.000 0.423 344 E N -1.035 118.634 120.200 -0.886 0.000 2.340 344 E HA 0.411 4.761 4.350 0.000 0.000 0.273 344 E C -0.313 175.897 176.600 -0.650 0.000 0.891 344 E CA -0.912 55.181 56.400 -0.512 0.000 0.757 344 E CB 1.070 30.647 29.700 -0.204 0.000 1.231 344 E HN 0.042 nan 8.360 nan 0.000 0.439 345 W N 1.783 122.986 121.300 -0.161 0.000 2.190 345 W HA 0.293 4.953 4.660 0.001 0.000 0.330 345 W C 0.597 177.084 176.519 -0.053 0.000 1.299 345 W CA 0.081 57.405 57.345 -0.035 0.000 1.215 345 W CB 0.662 30.175 29.460 0.088 0.000 1.147 345 W HN 0.170 nan 8.180 nan 0.000 0.563 346 R N 1.989 122.627 120.500 0.230 0.000 2.584 346 R HA 0.182 4.523 4.340 0.000 0.000 0.276 346 R C -1.427 174.963 176.300 0.149 0.000 1.046 346 R CA -0.766 55.413 56.100 0.130 0.000 0.906 346 R CB 1.239 31.564 30.300 0.041 0.000 1.215 346 R HN 0.337 nan 8.270 nan 0.000 0.449 347 D N 2.453 122.919 120.400 0.110 0.000 2.264 347 D HA 0.275 4.915 4.640 0.000 0.000 0.249 347 D C -0.232 176.121 176.300 0.088 0.000 1.070 347 D CA 0.100 54.157 54.000 0.096 0.000 0.912 347 D CB 1.359 42.200 40.800 0.070 0.000 1.193 347 D HN 0.319 nan 8.370 nan 0.000 0.427 348 E N -0.477 119.781 120.200 0.097 0.000 2.416 348 E HA 0.254 4.604 4.350 0.000 0.000 0.273 348 E C 0.440 177.105 176.600 0.108 0.000 0.935 348 E CA -0.492 55.969 56.400 0.102 0.000 0.784 348 E CB 1.586 31.366 29.700 0.133 0.000 1.301 348 E HN 0.408 nan 8.360 nan 0.000 0.454 349 T N -3.120 111.500 114.554 0.110 0.000 3.044 349 T HA 0.170 4.520 4.350 0.000 0.000 0.250 349 T C 0.188 174.992 174.700 0.173 0.000 1.081 349 T CA 0.291 62.465 62.100 0.122 0.000 1.040 349 T CB 0.309 69.233 68.868 0.094 0.000 0.962 349 T HN 0.243 nan 8.240 nan 0.000 0.506 350 D N -1.143 119.375 120.400 0.197 0.000 2.653 350 D HA 0.317 4.957 4.640 0.000 0.000 0.258 350 D C -2.261 174.233 176.300 0.323 0.000 1.252 350 D CA -0.665 53.507 54.000 0.287 0.000 0.777 350 D CB 1.605 42.530 40.800 0.209 0.000 1.339 350 D HN 0.164 nan 8.370 nan 0.000 0.422 351 W N 3.296 124.751 121.300 0.258 0.000 2.830 351 W HA 0.448 5.109 4.660 0.000 0.000 0.335 351 W C -2.880 173.815 176.519 0.292 0.000 1.043 351 W CA -1.791 55.665 57.345 0.184 0.000 1.239 351 W CB 1.601 31.051 29.460 -0.017 0.000 1.378 351 W HN 0.187 nan 8.180 nan 0.000 0.456 352 P HA -0.041 nan 4.420 nan 0.000 0.269 352 P C -0.167 176.953 177.300 -0.299 0.000 1.217 352 P CA 0.013 62.644 63.100 -0.781 0.000 0.783 352 P CB 0.657 32.108 31.700 -0.414 0.000 0.898 353 L N 4.505 125.534 121.223 -0.323 0.000 2.485 353 L HA 0.066 4.407 4.340 0.000 0.000 0.275 353 L C -1.172 175.645 176.870 -0.088 0.000 1.207 353 L CA -0.696 54.075 54.840 -0.114 0.000 0.855 353 L CB -0.672 41.324 42.059 -0.106 0.000 1.114 353 L HN 0.418 nan 8.230 nan 0.000 0.485 354 P HA -0.150 nan 4.420 nan 0.000 0.216 354 P C 0.214 177.497 177.300 -0.028 0.000 1.153 354 P CA 1.323 64.419 63.100 -0.007 0.000 0.858 354 P CB 0.239 31.948 31.700 0.014 0.000 0.789 355 D N -2.021 118.349 120.400 -0.049 0.000 2.427 355 D HA 0.057 4.697 4.640 0.000 0.000 0.224 355 D C -0.165 176.072 176.300 -0.105 0.000 1.157 355 D CA 0.275 54.243 54.000 -0.054 0.000 0.828 355 D CB -0.631 40.145 40.800 -0.040 0.000 0.974 355 D HN 0.065 nan 8.370 nan 0.000 0.498 356 T N 1.121 115.573 114.554 -0.171 0.000 2.817 356 T HA 0.344 4.694 4.350 0.000 0.000 0.295 356 T C 0.411 174.908 174.700 -0.339 0.000 0.958 356 T CA -0.220 61.675 62.100 -0.342 0.000 1.157 356 T CB 1.056 69.572 68.868 -0.586 0.000 0.898 356 T HN 0.061 nan 8.240 nan 0.000 0.536 357 A N 4.352 127.004 122.820 -0.281 0.000 2.341 357 A HA 0.481 4.801 4.320 0.000 0.000 0.326 357 A C -0.597 176.881 177.584 -0.177 0.000 1.402 357 A CA -0.644 51.304 52.037 -0.149 0.000 0.957 357 A CB -0.175 18.786 19.000 -0.065 0.000 1.151 357 A HN 0.834 nan 8.150 nan 0.000 0.533 358 Y N 2.090 122.386 120.300 -0.006 0.000 2.624 358 Y HA 0.260 4.810 4.550 0.000 0.000 0.354 358 Y C 0.755 176.667 175.900 0.020 0.000 1.051 358 Y CA 0.636 58.739 58.100 0.005 0.000 1.377 358 Y CB 0.565 39.024 38.460 -0.003 0.000 1.168 358 Y HN 0.536 nan 8.280 nan 0.000 0.525 359 T N 6.577 121.223 114.554 0.152 0.000 2.786 359 T HA 0.321 4.671 4.350 0.000 0.000 0.283 359 T C -2.677 172.103 174.700 0.134 0.000 0.992 359 T CA -1.941 60.228 62.100 0.115 0.000 0.954 359 T CB 1.318 70.279 68.868 0.155 0.000 0.934 359 T HN 0.177 nan 8.240 nan 0.000 0.440 360 P HA 0.331 nan 4.420 nan 0.000 0.276 360 P C -0.958 176.140 177.300 -0.337 0.000 1.235 360 P CA -0.372 62.553 63.100 -0.292 0.000 0.772 360 P CB 0.222 31.387 31.700 -0.892 0.000 0.871 361 F N 2.940 122.687 119.950 -0.339 0.000 2.375 361 F HA 0.351 4.879 4.527 0.000 0.000 0.361 361 F C 0.109 175.772 175.800 -0.230 0.000 1.117 361 F CA -0.411 57.453 58.000 -0.226 0.000 1.037 361 F CB 0.547 39.480 39.000 -0.112 0.000 1.192 361 F HN 0.256 nan 8.300 nan 0.000 0.452 362 Y N 3.434 123.800 120.300 0.111 0.000 2.299 362 Y HA 0.393 4.943 4.550 0.000 0.000 0.326 362 Y C 0.378 176.305 175.900 0.046 0.000 1.164 362 Y CA -0.738 57.416 58.100 0.090 0.000 1.234 362 Y CB 0.614 39.089 38.460 0.024 0.000 1.219 362 Y HN 0.296 nan 8.280 nan 0.000 0.497 363 L N 3.256 124.546 121.223 0.111 0.000 2.416 363 L HA 0.530 4.870 4.340 0.000 0.000 0.272 363 L C 0.747 177.666 176.870 0.082 0.000 1.161 363 L CA 0.067 54.850 54.840 -0.094 0.000 0.845 363 L CB 0.063 41.835 42.059 -0.478 0.000 1.119 363 L HN 0.876 nan 8.230 nan 0.000 0.464 364 G N 0.767 109.673 108.800 0.177 0.000 2.782 364 G HA2 0.769 4.729 3.960 0.000 0.000 0.304 364 G HA3 0.769 4.729 3.960 0.000 0.000 0.304 364 G C -0.766 174.261 174.900 0.211 0.000 1.315 364 G CA -0.254 44.948 45.100 0.170 0.000 0.791 364 G HN 0.948 nan 8.290 nan 0.000 0.519 365 G N -1.505 107.374 108.800 0.132 0.000 2.402 365 G HA2 0.457 4.418 3.960 0.000 0.000 0.666 365 G HA3 0.457 4.418 3.960 0.000 0.000 0.666 365 G C -0.488 174.455 174.900 0.072 0.000 1.402 365 G CA 0.006 45.167 45.100 0.102 0.000 0.920 365 G HN 1.290 nan 8.290 nan 0.000 0.651 366 S N 0.645 116.373 115.700 0.047 0.000 2.545 366 S HA 0.743 5.214 4.470 0.000 0.000 0.275 366 S C 1.227 175.845 174.600 0.029 0.000 1.299 366 S CA 1.428 59.648 58.200 0.034 0.000 1.048 366 S CB 0.959 64.173 63.200 0.023 0.000 0.938 366 S HN 2.551 nan 8.310 nan 0.000 0.496 367 G N 1.947 110.764 108.800 0.027 0.000 2.498 367 G HA2 0.092 4.052 3.960 0.000 0.000 0.251 367 G HA3 0.092 4.052 3.960 0.000 0.000 0.251 367 G C -0.257 174.658 174.900 0.025 0.000 1.170 367 G CA -0.304 44.809 45.100 0.021 0.000 0.944 367 G HN 1.389 nan 8.290 nan 0.000 0.567 368 A N -0.554 122.274 122.820 0.013 0.000 2.330 368 A HA 0.938 5.258 4.320 0.000 0.000 0.327 368 A C 0.900 178.468 177.584 -0.028 0.000 1.155 368 A CA 0.605 52.648 52.037 0.011 0.000 0.803 368 A CB 1.655 20.664 19.000 0.016 0.000 1.208 368 A HN 2.425 nan 8.150 nan 0.000 0.477 369 A N 2.321 125.108 122.820 -0.056 0.000 2.251 369 A HA 0.185 4.506 4.320 0.000 0.000 0.209 369 A C 0.448 177.901 177.584 -0.217 0.000 1.187 369 A CA -0.136 51.768 52.037 -0.221 0.000 0.823 369 A CB -0.692 18.012 19.000 -0.494 0.000 0.846 369 A HN 0.816 nan 8.150 nan 0.000 0.486 370 N N 2.017 120.662 118.700 -0.091 0.000 2.454 370 N HA 0.355 5.095 4.740 0.000 0.000 0.260 370 N C 0.278 175.739 175.510 -0.082 0.000 1.218 370 N CA 1.422 54.432 53.050 -0.066 0.000 0.904 370 N CB 0.054 38.543 38.487 0.003 0.000 1.065 370 N HN 0.555 nan 8.380 nan 0.000 0.462 371 T N -1.534 112.966 114.554 -0.090 0.000 0.541 371 T HA -0.231 4.119 4.350 0.000 0.000 0.774 371 T C 0.851 175.460 174.700 -0.150 0.000 0.992 371 T CA 0.270 62.322 62.100 -0.081 0.000 4.077 371 T CB -1.249 67.596 68.868 -0.039 0.000 2.303 371 T HN 0.780 nan 8.240 nan 0.000 0.398 372 S N -0.432 115.142 115.700 -0.210 0.000 2.515 372 S HA 0.041 4.511 4.470 0.000 0.000 0.231 372 S C 1.801 176.287 174.600 -0.191 0.000 0.987 372 S CA 1.349 59.346 58.200 -0.338 0.000 0.936 372 S CB -0.740 62.005 63.200 -0.758 0.000 0.766 372 S HN 2.028 nan 8.310 nan 0.000 0.528 373 T N -1.745 112.740 114.554 -0.116 0.000 3.105 373 T HA 0.477 4.827 4.350 0.000 0.000 0.253 373 T C 0.970 175.634 174.700 -0.061 0.000 1.047 373 T CA 0.004 62.062 62.100 -0.069 0.000 0.944 373 T CB 0.003 68.849 68.868 -0.036 0.000 1.016 373 T HN 0.383 nan 8.240 nan 0.000 0.544 374 G N 0.461 109.210 108.800 -0.084 0.000 2.570 374 G HA2 0.464 4.424 3.960 0.000 0.000 0.276 374 G HA3 0.464 4.424 3.960 0.000 0.000 0.276 374 G C 0.866 175.724 174.900 -0.071 0.000 1.346 374 G CA -0.365 44.689 45.100 -0.077 0.000 1.034 374 G HN 0.365 nan 8.290 nan 0.000 0.512 375 G N -1.160 107.606 108.800 -0.057 0.000 3.337 375 G HA2 0.433 4.393 3.960 0.000 0.000 0.246 375 G HA3 0.433 4.393 3.960 0.000 0.000 0.246 375 G C 0.784 175.676 174.900 -0.013 0.000 1.131 375 G CA 0.470 45.555 45.100 -0.025 0.000 0.773 375 G HN 0.854 nan 8.290 nan 0.000 0.544 376 G N 0.953 109.701 108.800 -0.087 0.000 2.340 376 G HA2 0.416 4.376 3.960 0.000 0.000 0.245 376 G HA3 0.416 4.376 3.960 0.000 0.000 0.245 376 G C 0.330 175.298 174.900 0.114 0.000 1.294 376 G CA 0.698 45.769 45.100 -0.048 0.000 0.896 376 G HN 0.431 nan 8.290 nan 0.000 0.522 377 T N -0.207 114.503 114.554 0.259 0.000 2.924 377 T HA 0.722 5.073 4.350 0.000 0.000 0.291 377 T C -0.319 174.533 174.700 0.254 0.000 1.045 377 T CA -0.967 61.257 62.100 0.206 0.000 1.015 377 T CB 1.824 70.774 68.868 0.137 0.000 1.103 377 T HN 0.315 nan 8.240 nan 0.000 0.496 378 L N 1.549 122.893 121.223 0.202 0.000 2.365 378 L HA 0.789 5.129 4.340 0.000 0.000 0.273 378 L C -0.142 176.845 176.870 0.195 0.000 1.000 378 L CA -0.773 54.196 54.840 0.216 0.000 0.819 378 L CB 2.109 44.309 42.059 0.236 0.000 1.284 378 L HN 0.901 nan 8.230 nan 0.000 0.418 379 S N -0.724 115.072 115.700 0.161 0.000 2.537 379 S HA 0.284 4.755 4.470 0.000 0.000 0.270 379 S C 0.538 175.074 174.600 -0.106 0.000 1.142 379 S CA -0.073 58.146 58.200 0.032 0.000 0.870 379 S CB 1.735 64.966 63.200 0.051 0.000 1.112 379 S HN 0.759 nan 8.310 nan 0.000 0.466 380 T N 0.565 114.918 114.554 -0.336 0.000 3.113 380 T HA 0.169 4.519 4.350 0.000 0.000 0.263 380 T C 0.643 175.340 174.700 -0.005 0.000 1.143 380 T CA 0.343 62.221 62.100 -0.369 0.000 1.090 380 T CB -0.224 68.347 68.868 -0.495 0.000 0.922 380 T HN 0.336 nan 8.240 nan 0.000 0.521 381 S N 1.030 116.733 115.700 0.005 0.000 2.554 381 S HA 0.539 5.009 4.470 0.000 0.000 0.278 381 S C 0.306 174.821 174.600 -0.142 0.000 1.242 381 S CA -0.827 57.344 58.200 -0.048 0.000 1.051 381 S CB 0.758 63.918 63.200 -0.068 0.000 0.986 381 S HN 0.369 nan 8.310 nan 0.000 0.502 382 I N 2.248 122.536 120.570 -0.470 0.000 2.752 382 I HA -0.007 4.163 4.170 0.000 0.000 0.287 382 I C 1.062 176.996 176.117 -0.305 0.000 1.188 382 I CA 0.098 60.951 61.300 -0.744 0.000 1.427 382 I CB 0.565 38.146 38.000 -0.699 0.000 1.365 382 I HN 0.501 nan 8.210 nan 0.000 0.585 383 S N 3.973 119.548 115.700 -0.209 0.000 2.562 383 S HA 0.167 4.637 4.470 0.000 0.000 0.281 383 S C 1.190 175.737 174.600 -0.090 0.000 1.333 383 S CA -0.034 58.118 58.200 -0.080 0.000 1.052 383 S CB 1.100 64.295 63.200 -0.008 0.000 0.884 383 S HN 0.807 nan 8.310 nan 0.000 0.506 384 G N 2.435 111.201 108.800 -0.057 0.000 2.494 384 G HA2 0.121 4.081 3.960 0.000 0.000 0.216 384 G HA3 0.121 4.081 3.960 0.000 0.000 0.216 384 G C 0.426 175.303 174.900 -0.038 0.000 1.140 384 G CA 0.752 45.820 45.100 -0.054 0.000 0.801 384 G HN 0.863 nan 8.290 nan 0.000 0.536 385 T N -0.983 113.560 114.554 -0.018 0.000 2.824 385 T HA 0.524 4.874 4.350 0.000 0.000 0.282 385 T C -0.703 174.004 174.700 0.011 0.000 0.993 385 T CA -0.819 61.279 62.100 -0.004 0.000 0.967 385 T CB 2.685 71.555 68.868 0.005 0.000 0.960 385 T HN -0.077 nan 8.240 nan 0.000 0.441 386 E N 1.827 122.037 120.200 0.017 0.000 2.415 386 E HA 0.356 4.706 4.350 0.000 0.000 0.263 386 E C -0.134 176.497 176.600 0.051 0.000 0.995 386 E CA 0.255 56.684 56.400 0.048 0.000 0.915 386 E CB 1.279 31.018 29.700 0.064 0.000 0.951 386 E HN 0.724 nan 8.360 nan 0.000 0.449 387 S N 0.482 116.220 115.700 0.063 0.000 2.656 387 S HA 0.790 5.260 4.470 0.000 0.000 0.273 387 S C -1.870 172.748 174.600 0.031 0.000 1.168 387 S CA -0.144 58.086 58.200 0.049 0.000 0.817 387 S CB 1.601 64.833 63.200 0.054 0.000 1.146 387 S HN 0.525 nan 8.310 nan 0.000 0.475 388 A N 1.653 124.469 122.820 -0.006 0.000 2.547 388 A HA 0.676 4.996 4.320 0.000 0.000 0.297 388 A C -2.043 175.524 177.584 -0.029 0.000 1.056 388 A CA -0.686 51.292 52.037 -0.099 0.000 0.688 388 A CB 1.336 20.171 19.000 -0.274 0.000 1.282 388 A HN 0.680 nan 8.150 nan 0.000 0.400 389 D N 1.637 122.046 120.400 0.014 0.000 2.192 389 D HA 0.608 5.249 4.640 0.000 0.000 0.246 389 D C -0.575 175.779 176.300 0.090 0.000 1.042 389 D CA 0.295 54.351 54.000 0.093 0.000 0.847 389 D CB 1.993 42.909 40.800 0.194 0.000 1.186 389 D HN 0.409 nan 8.370 nan 0.000 0.461 390 T N 1.626 116.242 114.554 0.102 0.000 2.876 390 T HA 0.590 4.941 4.350 0.000 0.000 0.289 390 T C -0.741 174.063 174.700 0.173 0.000 1.014 390 T CA -0.712 61.417 62.100 0.049 0.000 0.986 390 T CB 1.048 69.915 68.868 -0.003 0.000 1.021 390 T HN 0.370 nan 8.240 nan 0.000 0.458 391 Y N 0.375 120.724 120.300 0.082 0.000 2.638 391 Y HA 0.805 5.355 4.550 0.000 0.000 0.335 391 Y C -1.775 174.180 175.900 0.092 0.000 1.155 391 Y CA -1.819 56.330 58.100 0.082 0.000 1.046 391 Y CB 0.850 39.366 38.460 0.093 0.000 1.303 391 Y HN 0.506 nan 8.280 nan 0.000 0.460 392 L N 3.212 124.587 121.223 0.253 0.000 2.264 392 L HA 0.420 4.760 4.340 0.000 0.000 0.289 392 L C -1.243 175.813 176.870 0.310 0.000 1.044 392 L CA -0.659 54.280 54.840 0.165 0.000 0.807 392 L CB 0.449 42.564 42.059 0.092 0.000 1.192 392 L HN 0.687 nan 8.230 nan 0.000 0.425 393 Y N 4.921 125.303 120.300 0.137 0.000 2.353 393 Y HA 0.449 5.000 4.550 0.001 0.000 0.340 393 Y C -0.895 175.027 175.900 0.038 0.000 0.972 393 Y CA -1.148 57.027 58.100 0.126 0.000 1.157 393 Y CB 0.707 39.238 38.460 0.119 0.000 1.157 393 Y HN 0.673 nan 8.280 nan 0.000 0.495 394 D N 8.705 128.905 120.400 -0.333 0.000 2.414 394 D HA 0.347 4.987 4.640 0.000 0.000 0.232 394 D C -2.213 173.784 176.300 -0.506 0.000 1.070 394 D CA -2.652 51.102 54.000 -0.410 0.000 0.839 394 D CB 2.288 43.000 40.800 -0.147 0.000 1.079 394 D HN 0.315 nan 8.370 nan 0.000 0.521 395 P HA -0.086 nan 4.420 nan 0.000 0.219 395 P C 0.876 178.059 177.300 -0.194 0.000 1.146 395 P CA 0.955 63.847 63.100 -0.346 0.000 0.808 395 P CB 0.252 31.789 31.700 -0.272 0.000 0.779 396 A N -1.008 121.708 122.820 -0.173 0.000 2.119 396 A HA -0.099 4.222 4.320 0.000 0.000 0.217 396 A C 1.139 178.667 177.584 -0.093 0.000 1.153 396 A CA 1.232 53.194 52.037 -0.125 0.000 0.692 396 A CB -0.671 18.273 19.000 -0.093 0.000 0.799 396 A HN 0.087 nan 8.150 nan 0.000 0.458 397 D N -0.638 119.724 120.400 -0.064 0.000 2.552 397 D HA 0.258 4.898 4.640 0.000 0.000 0.285 397 D C -2.897 173.441 176.300 0.064 0.000 1.206 397 D CA -1.939 52.059 54.000 -0.004 0.000 0.826 397 D CB 1.080 41.886 40.800 0.009 0.000 1.179 397 D HN 0.134 nan 8.370 nan 0.000 0.508 398 P HA 0.120 nan 4.420 nan 0.000 0.274 398 P C -0.002 177.383 177.300 0.141 0.000 1.246 398 P CA -0.523 62.674 63.100 0.160 0.000 0.795 398 P CB 1.160 32.907 31.700 0.078 0.000 1.006 399 V N 3.424 123.417 119.914 0.132 0.000 2.529 399 V HA 0.080 4.200 4.120 0.000 0.000 0.292 399 V C -1.726 174.454 176.094 0.144 0.000 1.028 399 V CA -1.009 61.355 62.300 0.106 0.000 1.074 399 V CB -0.139 31.723 31.823 0.065 0.000 0.958 399 V HN 0.598 nan 8.190 nan 0.000 0.481 400 P HA 0.160 nan 4.420 nan 0.000 0.271 400 P C -0.263 177.107 177.300 0.116 0.000 1.216 400 P CA -0.154 63.035 63.100 0.149 0.000 0.776 400 P CB 0.532 32.308 31.700 0.127 0.000 0.881 401 S N 2.046 117.810 115.700 0.107 0.000 2.549 401 S HA 0.276 4.746 4.470 0.000 0.000 0.283 401 S C 0.070 174.723 174.600 0.090 0.000 1.320 401 S CA 0.054 58.303 58.200 0.082 0.000 1.058 401 S CB -0.207 63.021 63.200 0.046 0.000 0.882 401 S HN 0.372 nan 8.310 nan 0.000 0.498 402 L N 3.324 124.583 121.223 0.059 0.000 2.573 402 L HA 0.587 4.928 4.340 0.000 0.000 0.260 402 L C 0.451 177.334 176.870 0.022 0.000 0.997 402 L CA 1.013 55.871 54.840 0.029 0.000 0.890 402 L CB 0.053 42.123 42.059 0.017 0.000 1.179 402 L HN 0.936 nan 8.230 nan 0.000 0.439 403 G N 3.044 111.846 108.800 0.002 0.000 2.527 403 G HA2 0.225 4.185 3.960 0.000 0.000 0.268 403 G HA3 0.225 4.185 3.960 0.000 0.000 0.268 403 G C 0.810 175.754 174.900 0.074 0.000 1.175 403 G CA 0.231 45.333 45.100 0.002 0.000 0.962 403 G HN 2.107 nan 8.290 nan 0.000 0.560 404 G N -2.348 106.555 108.800 0.172 0.000 2.550 404 G HA2 0.167 4.127 3.960 0.000 0.000 0.277 404 G HA3 0.167 4.127 3.960 0.000 0.000 0.277 404 G C 1.216 176.273 174.900 0.262 0.000 1.190 404 G CA 2.445 47.704 45.100 0.264 0.000 0.971 404 G HN 2.711 nan 8.290 nan 0.000 0.559 405 T N -0.674 113.957 114.554 0.130 0.000 3.258 405 T HA 0.626 4.977 4.350 0.000 0.000 0.263 405 T C 0.989 175.682 174.700 -0.011 0.000 0.983 405 T CA 0.190 62.338 62.100 0.080 0.000 0.907 405 T CB -0.281 68.606 68.868 0.032 0.000 1.096 405 T HN 0.658 nan 8.240 nan 0.000 0.556 406 L N 1.212 122.433 121.223 -0.003 0.000 2.543 406 L HA 0.140 4.480 4.340 0.000 0.000 0.285 406 L C 1.365 178.227 176.870 -0.014 0.000 1.236 406 L CA -0.014 54.814 54.840 -0.020 0.000 0.871 406 L CB 0.500 42.566 42.059 0.011 0.000 1.121 406 L HN 0.309 nan 8.230 nan 0.000 0.501 407 L N 1.721 122.937 121.223 -0.011 0.000 2.347 407 L HA 0.081 4.422 4.340 0.000 0.000 0.196 407 L C 1.303 178.053 176.870 -0.201 0.000 1.072 407 L CA 0.728 55.521 54.840 -0.079 0.000 0.817 407 L CB 0.048 42.095 42.059 -0.020 0.000 1.029 407 L HN 0.525 nan 8.230 nan 0.000 0.478 408 F N -2.222 117.777 119.950 0.081 0.000 2.619 408 F HA 0.132 4.659 4.527 0.000 0.000 0.281 408 F C 0.975 176.826 175.800 0.084 0.000 1.065 408 F CA -0.433 57.627 58.000 0.101 0.000 1.304 408 F CB 0.206 39.288 39.000 0.136 0.000 1.059 408 F HN -0.034 nan 8.300 nan 0.000 0.648 409 H N 1.890 121.050 119.070 0.150 0.000 2.864 409 H HA 0.205 4.761 4.556 0.000 0.000 0.281 409 H C 0.087 175.424 175.328 0.014 0.000 1.093 409 H CA -0.580 55.498 56.048 0.051 0.000 1.453 409 H CB -0.416 29.334 29.762 -0.019 0.000 1.462 409 H HN 0.022 nan 8.280 nan 0.000 0.480 410 N N 3.325 121.803 118.700 -0.369 0.000 2.686 410 N HA -0.161 4.580 4.740 0.000 0.000 0.261 410 N C 0.820 176.242 175.510 -0.147 0.000 1.001 410 N CA 1.104 53.973 53.050 -0.302 0.000 0.764 410 N CB -1.030 37.186 38.487 -0.453 0.000 0.898 410 N HN 0.915 nan 8.380 nan 0.000 0.544 411 G N -0.156 108.593 108.800 -0.085 0.000 3.181 411 G HA2 -0.039 3.921 3.960 0.000 0.000 0.219 411 G HA3 -0.039 3.921 3.960 0.000 0.000 0.219 411 G C 0.615 175.497 174.900 -0.031 0.000 1.182 411 G CA 0.280 45.352 45.100 -0.046 0.000 0.791 411 G HN 0.458 nan 8.290 nan 0.000 0.537 412 D N -0.996 119.375 120.400 -0.048 0.000 2.538 412 D HA 0.091 4.731 4.640 0.000 0.000 0.231 412 D C 0.330 176.601 176.300 -0.048 0.000 1.229 412 D CA -0.699 53.281 54.000 -0.034 0.000 0.828 412 D CB 0.068 40.844 40.800 -0.039 0.000 1.035 412 D HN 0.084 nan 8.370 nan 0.000 0.495 413 N N -0.011 118.646 118.700 -0.070 0.000 2.636 413 N HA 0.224 4.964 4.740 0.000 0.000 0.287 413 N C 1.346 176.755 175.510 -0.169 0.000 1.817 413 N CA 0.067 53.050 53.050 -0.112 0.000 0.842 413 N CB 0.626 39.049 38.487 -0.106 0.000 1.353 413 N HN 0.039 nan 8.380 nan 0.000 0.500 414 G N 1.286 109.944 108.800 -0.237 0.000 2.553 414 G HA2 -0.176 3.784 3.960 0.000 0.000 0.218 414 G HA3 -0.176 3.784 3.960 0.000 0.000 0.218 414 G C -1.322 173.150 174.900 -0.713 0.000 1.195 414 G CA 0.623 45.448 45.100 -0.459 0.000 0.779 414 G HN 0.430 nan 8.290 nan 0.000 0.577 415 P HA 0.407 nan 4.420 nan 0.000 0.220 415 P C -0.274 176.903 177.300 -0.205 0.000 1.806 415 P CA -0.126 62.729 63.100 -0.407 0.000 0.976 415 P CB 0.084 31.640 31.700 -0.241 0.000 1.952 416 A N 1.572 124.308 122.820 -0.139 0.000 2.388 416 A HA 0.219 4.539 4.320 0.000 0.000 0.257 416 A C 0.312 177.850 177.584 -0.077 0.000 1.095 416 A CA -0.328 51.645 52.037 -0.106 0.000 0.791 416 A CB 0.025 18.982 19.000 -0.073 0.000 1.029 416 A HN 0.202 nan 8.150 nan 0.000 0.489 417 D N 1.096 121.434 120.400 -0.104 0.000 2.417 417 D HA 0.081 4.721 4.640 0.000 0.000 0.250 417 D C 0.727 176.968 176.300 -0.098 0.000 1.166 417 D CA 0.211 54.151 54.000 -0.100 0.000 0.881 417 D CB 0.787 41.514 40.800 -0.122 0.000 1.164 417 D HN 0.411 nan 8.370 nan 0.000 0.467 418 Q N 3.376 123.117 119.800 -0.098 0.000 2.403 418 Q HA 0.061 4.402 4.340 0.000 0.000 0.203 418 Q C 1.618 177.350 176.000 -0.446 0.000 0.932 418 Q CA 0.120 55.835 55.803 -0.146 0.000 0.945 418 Q CB 0.157 28.889 28.738 -0.009 0.000 1.045 418 Q HN 0.546 nan 8.270 nan 0.000 0.511 419 R N 0.665 120.855 120.500 -0.516 0.000 2.139 419 R HA -0.153 4.187 4.340 0.000 0.000 0.243 419 R C -0.728 175.325 176.300 -0.413 0.000 1.145 419 R CA 1.263 56.923 56.100 -0.734 0.000 0.976 419 R CB -1.033 29.104 30.300 -0.271 0.000 0.866 419 R HN 0.212 nan 8.270 nan 0.000 0.449 420 P HA -0.135 nan 4.420 nan 0.000 0.220 420 P C 1.109 178.366 177.300 -0.071 0.000 1.148 420 P CA 1.327 64.362 63.100 -0.109 0.000 0.803 420 P CB -0.000 31.658 31.700 -0.070 0.000 0.782 421 I N -5.073 115.442 120.570 -0.091 0.000 4.312 421 I HA 0.138 4.308 4.170 0.000 0.000 0.324 421 I C 1.801 177.953 176.117 0.059 0.000 1.298 421 I CA -0.027 61.270 61.300 -0.005 0.000 1.231 421 I CB -0.941 37.068 38.000 0.014 0.000 1.152 421 I HN -0.035 nan 8.210 nan 0.000 0.421 422 H N 0.960 120.036 119.070 0.010 0.000 2.572 422 H HA 0.078 4.634 4.556 0.000 0.000 0.278 422 H C 0.682 176.004 175.328 -0.010 0.000 1.050 422 H CA 0.509 56.557 56.048 -0.001 0.000 1.168 422 H CB -0.429 29.338 29.762 0.008 0.000 1.316 422 H HN 0.576 nan 8.280 nan 0.000 0.610 423 D N 1.132 121.666 120.400 0.223 0.000 2.346 423 D HA -0.046 4.594 4.640 0.000 0.000 0.206 423 D C 0.404 176.741 176.300 0.062 0.000 1.001 423 D CA -0.342 53.735 54.000 0.129 0.000 0.871 423 D CB 0.132 40.992 40.800 0.100 0.000 0.943 423 D HN 0.316 nan 8.370 nan 0.000 0.518 424 R N 1.013 121.545 120.500 0.052 0.000 2.643 424 R HA 0.066 4.407 4.340 0.000 0.000 0.270 424 R C 0.547 176.854 176.300 0.010 0.000 1.061 424 R CA -0.086 56.032 56.100 0.031 0.000 1.107 424 R CB 0.577 30.894 30.300 0.029 0.000 0.999 424 R HN -0.040 nan 8.270 nan 0.000 0.460 425 D N 0.865 121.278 120.400 0.022 0.000 2.264 425 D HA -0.143 4.497 4.640 0.000 0.000 0.208 425 D C 0.782 177.083 176.300 0.003 0.000 0.966 425 D CA 1.151 55.167 54.000 0.027 0.000 0.864 425 D CB 0.183 41.019 40.800 0.060 0.000 0.933 425 D HN 0.583 nan 8.370 nan 0.000 0.499 426 D N -0.594 119.782 120.400 -0.040 0.000 2.328 426 D HA -0.029 4.611 4.640 0.000 0.000 0.221 426 D C -0.188 175.861 176.300 -0.417 0.000 1.072 426 D CA -0.059 53.785 54.000 -0.259 0.000 0.850 426 D CB -0.040 40.736 40.800 -0.040 0.000 0.922 426 D HN 0.001 nan 8.370 nan 0.000 0.516 427 V N 1.856 121.648 119.914 -0.202 0.000 2.294 427 V HA 0.241 4.361 4.120 0.000 0.000 0.272 427 V C 0.225 176.236 176.094 -0.138 0.000 1.027 427 V CA -0.754 61.461 62.300 -0.143 0.000 0.823 427 V CB 1.204 33.013 31.823 -0.023 0.000 1.030 427 V HN 0.122 nan 8.190 nan 0.000 0.457 428 L N 4.505 125.637 121.223 -0.151 0.000 2.305 428 L HA 0.465 4.806 4.340 0.000 0.000 0.281 428 L C -0.277 176.465 176.870 -0.213 0.000 1.085 428 L CA -0.086 54.655 54.840 -0.165 0.000 0.813 428 L CB 0.983 43.040 42.059 -0.004 0.000 1.157 428 L HN 0.557 nan 8.230 nan 0.000 0.436 429 C N 3.016 122.066 119.300 -0.416 0.000 2.379 429 C HA 0.629 5.089 4.460 0.000 0.000 0.323 429 C C -0.617 174.046 174.990 -0.545 0.000 1.262 429 C CA -0.853 57.977 59.018 -0.314 0.000 1.581 429 C CB 0.591 28.197 27.740 -0.224 0.000 2.221 429 C HN 0.532 nan 8.230 nan 0.000 0.497 430 Y N 1.092 121.406 120.300 0.023 0.000 2.373 430 Y HA 0.581 5.132 4.550 0.001 0.000 0.336 430 Y C 0.330 176.248 175.900 0.031 0.000 0.979 430 Y CA -0.335 57.787 58.100 0.037 0.000 1.080 430 Y CB 1.686 40.183 38.460 0.061 0.000 1.190 430 Y HN 0.608 nan 8.280 nan 0.000 0.446 431 S N 0.903 116.691 115.700 0.148 0.000 2.548 431 S HA 0.539 5.009 4.470 0.000 0.000 0.286 431 S C -0.274 174.382 174.600 0.095 0.000 1.098 431 S CA -1.036 57.219 58.200 0.093 0.000 0.930 431 S CB 1.614 64.843 63.200 0.048 0.000 1.070 431 S HN 0.707 nan 8.310 nan 0.000 0.480 432 T N 0.324 114.921 114.554 0.072 0.000 2.766 432 T HA 0.338 4.688 4.350 0.000 0.000 0.295 432 T C 0.146 174.880 174.700 0.057 0.000 1.024 432 T CA -0.701 61.446 62.100 0.077 0.000 1.018 432 T CB 0.129 69.036 68.868 0.064 0.000 1.002 432 T HN 0.474 nan 8.240 nan 0.000 0.532 433 E N 0.311 120.543 120.200 0.053 0.000 2.428 433 E HA 0.136 4.486 4.350 0.000 0.000 0.257 433 E C 0.099 176.723 176.600 0.041 0.000 1.197 433 E CA -0.272 56.153 56.400 0.041 0.000 0.974 433 E CB 0.371 30.092 29.700 0.036 0.000 0.976 433 E HN 0.496 nan 8.360 nan 0.000 0.463 434 V N 2.403 122.339 119.914 0.037 0.000 2.540 434 V HA -0.061 4.059 4.120 0.000 0.000 0.297 434 V C 0.723 176.844 176.094 0.044 0.000 1.024 434 V CA 0.246 62.571 62.300 0.042 0.000 1.105 434 V CB -0.218 31.625 31.823 0.033 0.000 0.938 434 V HN 0.344 nan 8.190 nan 0.000 0.482 435 L N 5.275 126.532 121.223 0.058 0.000 2.367 435 L HA 0.211 4.551 4.340 0.000 0.000 0.275 435 L C 1.619 178.515 176.870 0.044 0.000 1.129 435 L CA 0.020 54.891 54.840 0.051 0.000 0.839 435 L CB 1.151 43.247 42.059 0.061 0.000 1.133 435 L HN 0.915 nan 8.230 nan 0.000 0.453 436 T N -2.400 112.173 114.554 0.032 0.000 3.031 436 T HA 0.091 4.441 4.350 0.000 0.000 0.254 436 T C 0.325 175.037 174.700 0.020 0.000 1.060 436 T CA 0.061 62.176 62.100 0.025 0.000 1.135 436 T CB 0.024 68.903 68.868 0.019 0.000 0.896 436 T HN 0.534 nan 8.240 nan 0.000 0.472 437 D N 2.106 122.517 120.400 0.019 0.000 2.350 437 D HA 0.485 5.126 4.640 0.000 0.000 0.238 437 D C -2.785 173.522 176.300 0.011 0.000 0.989 437 D CA -2.007 52.000 54.000 0.011 0.000 0.921 437 D CB 1.733 42.538 40.800 0.009 0.000 1.297 437 D HN 0.084 nan 8.370 nan 0.000 0.490 438 P HA 0.127 nan 4.420 nan 0.000 0.275 438 P C -0.931 176.377 177.300 0.014 0.000 1.228 438 P CA -0.321 62.774 63.100 -0.008 0.000 0.786 438 P CB 0.835 32.515 31.700 -0.035 0.000 0.927 439 V N 2.528 122.469 119.914 0.045 0.000 2.443 439 V HA 0.262 4.382 4.120 0.000 0.000 0.293 439 V C 0.263 176.415 176.094 0.096 0.000 1.021 439 V CA -0.586 61.747 62.300 0.055 0.000 0.848 439 V CB 1.389 33.228 31.823 0.027 0.000 0.998 439 V HN 0.570 nan 8.190 nan 0.000 0.424 440 E N 3.874 124.092 120.200 0.031 0.000 2.174 440 E HA 0.564 4.914 4.350 0.000 0.000 0.282 440 E C -1.422 175.176 176.600 -0.003 0.000 0.992 440 E CA -0.433 55.967 56.400 -0.000 0.000 0.803 440 E CB 1.740 31.410 29.700 -0.051 0.000 1.090 440 E HN 0.483 nan 8.360 nan 0.000 0.396 441 V N 4.757 124.677 119.914 0.010 0.000 2.326 441 V HA 0.312 4.432 4.120 0.000 0.000 0.281 441 V C -0.607 175.419 176.094 -0.114 0.000 1.015 441 V CA -0.510 61.773 62.300 -0.029 0.000 0.823 441 V CB 1.576 33.450 31.823 0.084 0.000 1.009 441 V HN 0.723 nan 8.190 nan 0.000 0.436 442 T N 3.701 118.177 114.554 -0.131 0.000 2.965 442 T HA 0.797 5.147 4.350 0.000 0.000 0.306 442 T C 0.181 174.799 174.700 -0.136 0.000 0.991 442 T CA -0.029 62.001 62.100 -0.118 0.000 1.001 442 T CB 1.430 70.259 68.868 -0.065 0.000 0.984 442 T HN 1.171 nan 8.240 nan 0.000 0.446 443 G N 1.924 110.705 108.800 -0.032 0.000 2.343 443 G HA2 0.405 4.365 3.960 0.000 0.000 0.289 443 G HA3 0.405 4.365 3.960 0.000 0.000 0.289 443 G C -0.444 174.552 174.900 0.159 0.000 1.295 443 G CA -0.361 44.630 45.100 -0.182 0.000 0.869 443 G HN 0.807 nan 8.290 nan 0.000 0.522 444 T N -1.785 112.875 114.554 0.176 0.000 2.918 444 T HA 0.577 4.927 4.350 0.000 0.000 0.302 444 T C 0.033 174.840 174.700 0.179 0.000 1.045 444 T CA -0.273 61.977 62.100 0.249 0.000 1.114 444 T CB 1.536 70.545 68.868 0.235 0.000 0.965 444 T HN 1.248 nan 8.240 nan 0.000 0.540 445 V N 2.648 122.643 119.914 0.134 0.000 2.735 445 V HA 0.807 4.927 4.120 0.000 0.000 0.310 445 V C 0.002 176.137 176.094 0.067 0.000 1.061 445 V CA -0.728 61.626 62.300 0.090 0.000 0.913 445 V CB 1.858 33.715 31.823 0.056 0.000 1.005 445 V HN 1.362 nan 8.190 nan 0.000 0.428 446 S N 2.551 118.279 115.700 0.047 0.000 2.596 446 S HA 0.962 5.432 4.470 0.000 0.000 0.270 446 S C -0.796 173.790 174.600 -0.023 0.000 1.155 446 S CA -0.274 57.932 58.200 0.010 0.000 0.827 446 S CB 2.161 65.359 63.200 -0.003 0.000 1.130 446 S HN 1.562 nan 8.310 nan 0.000 0.467 447 A N 1.238 124.020 122.820 -0.064 0.000 2.380 447 A HA 0.913 5.233 4.320 0.000 0.000 0.315 447 A C -0.742 176.710 177.584 -0.221 0.000 1.101 447 A CA -0.964 50.991 52.037 -0.136 0.000 0.771 447 A CB 1.242 20.189 19.000 -0.088 0.000 1.287 447 A HN 0.688 nan 8.150 nan 0.000 0.436 448 R N 1.737 121.991 120.500 -0.410 0.000 2.422 448 R HA 0.489 4.829 4.340 0.000 0.000 0.307 448 R C -1.605 174.477 176.300 -0.362 0.000 1.004 448 R CA -0.193 55.649 56.100 -0.430 0.000 0.882 448 R CB 0.986 30.953 30.300 -0.556 0.000 1.164 448 R HN 0.672 nan 8.270 nan 0.000 0.489 449 L N 3.255 124.305 121.223 -0.289 0.000 2.346 449 L HA 0.574 4.914 4.340 0.000 0.000 0.274 449 L C -0.531 176.173 176.870 -0.277 0.000 1.007 449 L CA -0.957 53.772 54.840 -0.184 0.000 0.818 449 L CB 1.459 43.415 42.059 -0.172 0.000 1.284 449 L HN 0.322 nan 8.230 nan 0.000 0.424 450 F N 2.754 122.688 119.950 -0.028 0.000 2.391 450 F HA 0.490 5.017 4.527 0.000 0.000 0.359 450 F C 0.294 176.095 175.800 0.002 0.000 1.122 450 F CA -0.647 57.358 58.000 0.008 0.000 1.120 450 F CB 1.541 40.599 39.000 0.096 0.000 1.142 450 F HN 0.124 nan 8.300 nan 0.000 0.483 451 V N 0.339 120.285 119.914 0.054 0.000 3.040 451 V HA 0.967 5.088 4.120 0.000 0.000 0.312 451 V C -0.605 175.575 176.094 0.143 0.000 1.115 451 V CA -0.826 61.428 62.300 -0.075 0.000 0.998 451 V CB 1.715 33.047 31.823 -0.819 0.000 1.042 451 V HN 0.698 nan 8.190 nan 0.000 0.433 452 S N 1.263 117.105 115.700 0.237 0.000 2.607 452 S HA 0.888 5.358 4.470 0.000 0.000 0.273 452 S C -0.664 174.113 174.600 0.295 0.000 1.148 452 S CA -0.226 58.149 58.200 0.292 0.000 0.833 452 S CB 1.713 65.088 63.200 0.291 0.000 1.130 452 S HN 1.898 nan 8.310 nan 0.000 0.470 453 S N -0.175 115.671 115.700 0.244 0.000 2.556 453 S HA 0.568 5.038 4.470 0.000 0.000 0.271 453 S C 0.698 175.364 174.600 0.110 0.000 1.135 453 S CA -0.009 58.296 58.200 0.175 0.000 0.858 453 S CB 1.565 64.873 63.200 0.180 0.000 1.114 453 S HN 1.397 nan 8.310 nan 0.000 0.468 454 S N 1.959 117.697 115.700 0.064 0.000 2.522 454 S HA 0.354 4.824 4.470 0.000 0.000 0.227 454 S C 0.753 175.375 174.600 0.037 0.000 0.986 454 S CA 0.309 58.535 58.200 0.043 0.000 0.929 454 S CB -0.294 62.918 63.200 0.020 0.000 0.769 454 S HN 1.009 nan 8.310 nan 0.000 0.529 455 A N 1.270 124.114 122.820 0.040 0.000 2.281 455 A HA 0.693 5.013 4.320 0.000 0.000 0.329 455 A C 1.050 178.652 177.584 0.029 0.000 1.122 455 A CA -0.283 51.768 52.037 0.024 0.000 0.850 455 A CB 1.145 20.153 19.000 0.014 0.000 1.207 455 A HN 0.814 nan 8.150 nan 0.000 0.495 456 V N -2.192 117.728 119.914 0.010 0.000 3.461 456 V HA 0.273 4.393 4.120 0.000 0.000 0.267 456 V C 0.125 176.200 176.094 -0.032 0.000 1.186 456 V CA 1.474 63.773 62.300 -0.002 0.000 1.154 456 V CB -0.967 30.852 31.823 -0.006 0.000 0.802 456 V HN 0.788 nan 8.190 nan 0.000 0.474 457 D N -1.785 118.601 120.400 -0.025 0.000 2.717 457 D HA 0.623 5.263 4.640 0.000 0.000 0.223 457 D C -0.764 175.526 176.300 -0.016 0.000 1.240 457 D CA 0.279 54.254 54.000 -0.041 0.000 0.801 457 D CB 2.353 43.120 40.800 -0.055 0.000 1.556 457 D HN 0.182 nan 8.370 nan 0.000 0.462 458 T N 0.712 115.246 114.554 -0.034 0.000 2.677 458 T HA 0.421 4.772 4.350 0.000 0.000 0.305 458 T C -1.958 172.649 174.700 -0.154 0.000 1.569 458 T CA -0.582 61.476 62.100 -0.069 0.000 0.984 458 T CB 1.000 69.797 68.868 -0.119 0.000 1.629 458 T HN 0.291 nan 8.240 nan 0.000 0.494 459 D N 0.218 120.436 120.400 -0.304 0.000 2.299 459 D HA 0.695 5.335 4.640 0.000 0.000 0.243 459 D C -1.127 174.790 176.300 -0.638 0.000 0.982 459 D CA -0.022 53.797 54.000 -0.302 0.000 0.924 459 D CB 1.126 41.790 40.800 -0.225 0.000 1.238 459 D HN 0.316 nan 8.370 nan 0.000 0.484 460 F N 0.033 119.969 119.950 -0.022 0.000 2.540 460 F HA 0.407 4.935 4.527 0.000 0.000 0.317 460 F C 0.593 176.388 175.800 -0.009 0.000 1.104 460 F CA -0.706 57.301 58.000 0.013 0.000 0.913 460 F CB 2.136 41.162 39.000 0.043 0.000 1.170 460 F HN 0.069 nan 8.300 nan 0.000 0.450 461 T N -0.059 114.598 114.554 0.172 0.000 2.912 461 T HA 0.940 5.291 4.350 0.000 0.000 0.288 461 T C -0.869 173.911 174.700 0.135 0.000 1.030 461 T CA -0.907 61.260 62.100 0.111 0.000 1.020 461 T CB 1.970 70.885 68.868 0.079 0.000 1.056 461 T HN 0.902 nan 8.240 nan 0.000 0.480 462 A N 1.732 124.617 122.820 0.108 0.000 2.455 462 A HA 0.787 5.107 4.320 0.000 0.000 0.300 462 A C -0.735 176.912 177.584 0.104 0.000 1.040 462 A CA -0.960 51.139 52.037 0.104 0.000 0.697 462 A CB 1.650 20.694 19.000 0.073 0.000 1.265 462 A HN 0.978 nan 8.150 nan 0.000 0.407 463 K N 2.128 122.595 120.400 0.113 0.000 2.427 463 K HA 0.620 4.940 4.320 0.000 0.000 0.252 463 K C -1.796 174.876 176.600 0.119 0.000 0.931 463 K CA -0.705 55.654 56.287 0.119 0.000 0.793 463 K CB 1.694 34.272 32.500 0.129 0.000 1.211 463 K HN 0.620 nan 8.250 nan 0.000 0.426 464 L N 4.557 125.850 121.223 0.117 0.000 2.312 464 L HA 0.510 4.850 4.340 0.000 0.000 0.281 464 L C -1.408 175.572 176.870 0.183 0.000 1.070 464 L CA -0.203 54.714 54.840 0.128 0.000 0.805 464 L CB 1.629 43.752 42.059 0.107 0.000 1.174 464 L HN 0.416 nan 8.230 nan 0.000 0.434 465 V N 3.628 123.676 119.914 0.224 0.000 2.841 465 V HA 0.390 4.510 4.120 0.000 0.000 0.310 465 V C -1.209 175.119 176.094 0.390 0.000 1.090 465 V CA -0.828 61.629 62.300 0.263 0.000 0.930 465 V CB 2.000 33.955 31.823 0.220 0.000 1.014 465 V HN 0.721 nan 8.190 nan 0.000 0.425 466 D N 3.034 123.675 120.400 0.401 0.000 2.373 466 D HA 0.378 5.018 4.640 0.000 0.000 0.227 466 D C -0.621 175.962 176.300 0.471 0.000 1.091 466 D CA -0.121 54.170 54.000 0.485 0.000 0.840 466 D CB 1.780 42.713 40.800 0.222 0.000 1.060 466 D HN 0.247 nan 8.370 nan 0.000 0.502 467 V N 5.344 125.483 119.914 0.374 0.000 2.408 467 V HA 0.234 4.354 4.120 0.000 0.000 0.267 467 V C 0.433 176.619 176.094 0.154 0.000 1.047 467 V CA -0.531 61.937 62.300 0.280 0.000 0.937 467 V CB -0.050 31.877 31.823 0.175 0.000 0.999 467 V HN 0.355 nan 8.190 nan 0.000 0.472 468 F N 6.684 126.565 119.950 -0.116 0.000 2.378 468 F HA 0.362 4.889 4.527 0.000 0.000 0.319 468 F C -0.971 174.653 175.800 -0.294 0.000 1.155 468 F CA -1.887 55.871 58.000 -0.405 0.000 1.157 468 F CB 0.561 39.438 39.000 -0.204 0.000 1.252 468 F HN 0.338 nan 8.300 nan 0.000 0.550 469 P HA -0.189 nan 4.420 nan 0.000 0.216 469 P C 0.741 178.043 177.300 0.004 0.000 1.150 469 P CA 1.712 64.764 63.100 -0.079 0.000 0.843 469 P CB -0.028 31.632 31.700 -0.067 0.000 0.787 470 D N -2.421 118.005 120.400 0.043 0.000 2.363 470 D HA 0.067 4.707 4.640 0.000 0.000 0.220 470 D C 1.455 177.774 176.300 0.031 0.000 0.994 470 D CA 0.983 55.002 54.000 0.032 0.000 0.890 470 D CB -0.752 40.063 40.800 0.025 0.000 0.906 470 D HN 0.256 nan 8.370 nan 0.000 0.530 471 G N -0.207 108.625 108.800 0.053 0.000 2.253 471 G HA2 -0.275 3.685 3.960 0.000 0.000 0.209 471 G HA3 -0.275 3.685 3.960 0.000 0.000 0.209 471 G C 0.290 175.233 174.900 0.071 0.000 0.997 471 G CA -0.277 44.860 45.100 0.063 0.000 0.640 471 G HN 0.385 nan 8.290 nan 0.000 0.496 472 R N 0.981 121.498 120.500 0.028 0.000 2.537 472 R HA 0.403 4.743 4.340 0.000 0.000 0.281 472 R C 0.514 176.859 176.300 0.076 0.000 0.988 472 R CA 0.859 56.939 56.100 -0.034 0.000 1.077 472 R CB 0.473 30.631 30.300 -0.236 0.000 0.932 472 R HN 0.624 nan 8.270 nan 0.000 0.409 473 A N 5.807 128.670 122.820 0.072 0.000 2.511 473 A HA 0.285 4.605 4.320 0.000 0.000 0.340 473 A C -0.318 177.336 177.584 0.118 0.000 1.396 473 A CA -0.677 51.458 52.037 0.164 0.000 0.887 473 A CB 0.347 19.489 19.000 0.235 0.000 1.145 473 A HN 0.467 nan 8.150 nan 0.000 0.497 474 I N 2.476 123.142 120.570 0.161 0.000 2.352 474 I HA 0.274 4.444 4.170 0.000 0.000 0.290 474 I C 1.079 177.303 176.117 0.179 0.000 1.036 474 I CA -0.206 61.156 61.300 0.105 0.000 1.336 474 I CB 0.629 38.677 38.000 0.081 0.000 1.407 474 I HN 0.658 nan 8.210 nan 0.000 0.497 475 A N 7.442 130.352 122.820 0.149 0.000 2.520 475 A HA 0.348 4.669 4.320 0.000 0.000 0.245 475 A C 0.642 178.424 177.584 0.330 0.000 1.072 475 A CA 0.198 52.362 52.037 0.210 0.000 0.761 475 A CB 0.367 19.478 19.000 0.184 0.000 1.004 475 A HN 0.793 nan 8.150 nan 0.000 0.499 476 L N 1.824 123.205 121.223 0.263 0.000 2.613 476 L HA 0.276 4.616 4.340 0.000 0.000 0.200 476 L C 0.912 177.853 176.870 0.118 0.000 1.467 476 L CA -0.126 54.825 54.840 0.185 0.000 2.933 476 L CB -0.390 41.709 42.059 0.066 0.000 2.750 476 L HN 0.932 nan 8.230 nan 0.000 0.990 477 C N -0.562 118.767 119.300 0.048 0.000 2.358 477 C HA 0.732 5.193 4.460 0.000 0.000 0.354 477 C C -0.748 174.299 174.990 0.094 0.000 1.183 477 C CA -0.726 58.321 59.018 0.049 0.000 2.150 477 C CB 0.988 28.739 27.740 0.018 0.000 2.361 477 C HN 0.713 nan 8.230 nan 0.000 0.535 478 D N 0.209 120.673 120.400 0.106 0.000 2.599 478 D HA 0.663 5.303 4.640 0.000 0.000 0.252 478 D C -0.574 175.806 176.300 0.133 0.000 1.232 478 D CA -0.082 53.992 54.000 0.123 0.000 0.819 478 D CB 1.685 42.573 40.800 0.147 0.000 1.401 478 D HN 1.064 nan 8.370 nan 0.000 0.429 479 G N -0.670 108.204 108.800 0.123 0.000 2.721 479 G HA2 0.604 4.564 3.960 0.000 0.000 0.296 479 G HA3 0.604 4.564 3.960 0.000 0.000 0.296 479 G C -1.781 173.138 174.900 0.031 0.000 1.383 479 G CA -0.791 44.365 45.100 0.093 0.000 0.788 479 G HN 0.653 nan 8.290 nan 0.000 0.500 480 I N -0.757 119.747 120.570 -0.110 0.000 2.827 480 I HA 0.701 4.872 4.170 0.000 0.000 0.298 480 I C -1.521 174.519 176.117 -0.128 0.000 1.235 480 I CA -1.165 60.033 61.300 -0.170 0.000 1.021 480 I CB 2.351 40.066 38.000 -0.475 0.000 1.259 480 I HN 0.519 nan 8.210 nan 0.000 0.427 481 V N 7.090 126.984 119.914 -0.034 0.000 2.531 481 V HA 0.564 4.684 4.120 0.000 0.000 0.301 481 V C -0.664 175.452 176.094 0.037 0.000 1.034 481 V CA -0.540 61.767 62.300 0.010 0.000 0.865 481 V CB 1.825 33.679 31.823 0.051 0.000 0.995 481 V HN 0.820 nan 8.190 nan 0.000 0.424 482 R N 6.349 126.887 120.500 0.064 0.000 2.221 482 R HA 0.346 4.687 4.340 0.000 0.000 0.327 482 R C 1.068 177.421 176.300 0.088 0.000 1.033 482 R CA -0.553 55.608 56.100 0.102 0.000 0.887 482 R CB 1.042 31.483 30.300 0.235 0.000 1.057 482 R HN 0.776 nan 8.270 nan 0.000 0.455 483 M N 4.026 123.637 119.600 0.017 0.000 2.213 483 M HA -0.168 4.313 4.480 0.000 0.000 0.263 483 M C 1.840 178.063 176.300 -0.129 0.000 1.062 483 M CA 1.684 56.964 55.300 -0.033 0.000 1.105 483 M CB -0.743 31.834 32.600 -0.038 0.000 1.385 483 M HN 0.651 nan 8.290 nan 0.000 0.417 484 R N -0.527 119.849 120.500 -0.207 0.000 2.193 484 R HA -0.171 4.170 4.340 0.000 0.000 0.229 484 R C 0.615 176.678 176.300 -0.394 0.000 1.110 484 R CA 1.452 57.338 56.100 -0.355 0.000 0.988 484 R CB -0.677 29.322 30.300 -0.501 0.000 0.871 484 R HN 0.306 nan 8.270 nan 0.000 0.458 485 Y N 1.766 122.045 120.300 -0.035 0.000 2.571 485 Y HA 0.280 4.830 4.550 0.001 0.000 0.275 485 Y C 1.760 177.636 175.900 -0.040 0.000 1.179 485 Y CA -0.840 57.241 58.100 -0.033 0.000 1.242 485 Y CB 0.086 38.537 38.460 -0.014 0.000 1.126 485 Y HN 0.105 nan 8.280 nan 0.000 0.524 486 R N -0.006 120.519 120.500 0.042 0.000 2.127 486 R HA -0.139 4.202 4.340 0.000 0.000 0.238 486 R C 0.702 177.009 176.300 0.013 0.000 1.134 486 R CA 1.790 57.897 56.100 0.012 0.000 0.975 486 R CB -0.110 30.164 30.300 -0.045 0.000 0.865 486 R HN 0.217 nan 8.270 nan 0.000 0.447 487 E N 0.338 120.547 120.200 0.015 0.000 2.251 487 E HA 0.052 4.402 4.350 0.000 0.000 0.194 487 E C 0.354 176.966 176.600 0.020 0.000 0.964 487 E CA 0.783 57.191 56.400 0.013 0.000 0.868 487 E CB 0.739 30.445 29.700 0.010 0.000 0.828 487 E HN 0.281 nan 8.360 nan 0.000 0.481 488 T N -0.455 114.127 114.554 0.047 0.000 3.041 488 T HA 0.354 4.704 4.350 0.000 0.000 0.321 488 T C 0.210 174.980 174.700 0.117 0.000 1.184 488 T CA -0.532 61.594 62.100 0.044 0.000 1.050 488 T CB 0.714 69.597 68.868 0.026 0.000 1.159 488 T HN -0.094 nan 8.240 nan 0.000 0.469 489 L N 3.946 125.175 121.223 0.010 0.000 2.478 489 L HA 0.132 4.472 4.340 0.000 0.000 0.223 489 L C 1.937 178.748 176.870 -0.098 0.000 1.140 489 L CA 0.375 55.146 54.840 -0.114 0.000 0.842 489 L CB -0.076 41.775 42.059 -0.346 0.000 0.953 489 L HN 0.524 nan 8.230 nan 0.000 0.452 490 V N -1.573 118.325 119.914 -0.027 0.000 2.672 490 V HA 0.073 4.194 4.120 0.000 0.000 0.242 490 V C 0.573 176.694 176.094 0.045 0.000 1.059 490 V CA 0.755 63.037 62.300 -0.030 0.000 1.081 490 V CB -0.037 31.759 31.823 -0.047 0.000 0.752 490 V HN 0.407 nan 8.190 nan 0.000 0.472 491 N N 1.171 119.904 118.700 0.054 0.000 2.813 491 N HA 0.296 5.036 4.740 0.000 0.000 0.282 491 N C -2.826 172.694 175.510 0.015 0.000 1.748 491 N CA -0.860 52.210 53.050 0.033 0.000 0.860 491 N CB 1.150 39.645 38.487 0.014 0.000 1.204 491 N HN 0.345 nan 8.380 nan 0.000 0.490 492 P HA 0.090 nan 4.420 nan 0.000 0.269 492 P C -0.008 177.217 177.300 -0.126 0.000 1.215 492 P CA 0.185 63.198 63.100 -0.144 0.000 0.780 492 P CB 0.860 32.305 31.700 -0.424 0.000 0.898 493 T N -0.867 113.603 114.554 -0.140 0.000 2.903 493 T HA 0.603 4.954 4.350 0.000 0.000 0.299 493 T C 0.062 174.683 174.700 -0.132 0.000 1.093 493 T CA -0.951 61.087 62.100 -0.103 0.000 1.002 493 T CB 0.758 69.593 68.868 -0.056 0.000 1.127 493 T HN 0.142 nan 8.240 nan 0.000 0.488 494 L N 1.794 122.958 121.223 -0.099 0.000 2.468 494 L HA 0.617 4.957 4.340 0.000 0.000 0.254 494 L C 0.578 177.390 176.870 -0.096 0.000 1.171 494 L CA -1.266 53.514 54.840 -0.101 0.000 0.809 494 L CB 0.521 42.541 42.059 -0.064 0.000 1.155 494 L HN 0.724 nan 8.230 nan 0.000 0.473 495 I N -2.339 118.162 120.570 -0.114 0.000 2.822 495 I HA 0.438 4.608 4.170 0.000 0.000 0.312 495 I C -0.518 175.638 176.117 0.065 0.000 1.011 495 I CA -0.876 60.361 61.300 -0.106 0.000 1.105 495 I CB 1.470 39.241 38.000 -0.382 0.000 1.291 495 I HN 0.388 nan 8.210 nan 0.000 0.474 496 E N 2.897 123.232 120.200 0.224 0.000 2.200 496 E HA 0.391 4.741 4.350 0.000 0.000 0.283 496 E C -0.255 176.451 176.600 0.177 0.000 1.015 496 E CA -0.539 55.964 56.400 0.171 0.000 0.819 496 E CB 1.715 31.509 29.700 0.157 0.000 1.081 496 E HN 0.768 nan 8.360 nan 0.000 0.397 497 A N 1.819 124.703 122.820 0.107 0.000 2.546 497 A HA 0.376 4.696 4.320 0.000 0.000 0.243 497 A C 1.390 179.030 177.584 0.095 0.000 1.063 497 A CA 0.916 53.011 52.037 0.097 0.000 0.757 497 A CB -0.330 18.706 19.000 0.059 0.000 0.991 497 A HN 0.830 nan 8.150 nan 0.000 0.503 498 G N 1.247 110.111 108.800 0.107 0.000 2.253 498 G HA2 -0.196 3.764 3.960 0.000 0.000 0.251 498 G HA3 -0.196 3.764 3.960 0.000 0.000 0.251 498 G C 0.149 175.082 174.900 0.055 0.000 0.998 498 G CA 0.411 45.560 45.100 0.081 0.000 0.621 498 G HN 0.807 nan 8.290 nan 0.000 0.524 499 E N 0.414 120.649 120.200 0.060 0.000 2.331 499 E HA 0.511 4.861 4.350 0.000 0.000 0.272 499 E C 0.702 177.211 176.600 -0.153 0.000 1.036 499 E CA -0.454 55.895 56.400 -0.086 0.000 0.864 499 E CB 1.077 30.680 29.700 -0.162 0.000 1.035 499 E HN 0.457 nan 8.360 nan 0.000 0.408 500 I N 3.164 123.562 120.570 -0.287 0.000 2.371 500 I HA 0.126 4.297 4.170 0.000 0.000 0.290 500 I C -0.410 175.496 176.117 -0.353 0.000 1.028 500 I CA -0.314 60.833 61.300 -0.255 0.000 1.345 500 I CB 0.268 38.056 38.000 -0.353 0.000 1.407 500 I HN 0.295 nan 8.210 nan 0.000 0.501 501 Y N 4.072 124.363 120.300 -0.014 0.000 2.393 501 Y HA 0.323 4.873 4.550 0.000 0.000 0.341 501 Y C 0.182 175.999 175.900 -0.139 0.000 0.988 501 Y CA -0.810 57.267 58.100 -0.040 0.000 1.078 501 Y CB 1.548 39.985 38.460 -0.038 0.000 1.203 501 Y HN 0.475 nan 8.280 nan 0.000 0.453 502 E N 3.491 123.627 120.200 -0.106 0.000 2.130 502 E HA 0.493 4.843 4.350 0.000 0.000 0.284 502 E C -1.341 175.109 176.600 -0.250 0.000 1.018 502 E CA -0.591 55.520 56.400 -0.482 0.000 0.817 502 E CB 0.775 30.064 29.700 -0.686 0.000 1.078 502 E HN 0.539 nan 8.360 nan 0.000 0.396 503 V N 0.966 120.725 119.914 -0.258 0.000 2.864 503 V HA 0.892 5.012 4.120 0.000 0.000 0.314 503 V C -0.392 175.605 176.094 -0.161 0.000 1.073 503 V CA -0.962 61.251 62.300 -0.146 0.000 0.956 503 V CB 1.527 33.300 31.823 -0.083 0.000 1.023 503 V HN 0.678 nan 8.190 nan 0.000 0.435 504 A N 4.344 127.101 122.820 -0.105 0.000 2.305 504 A HA 0.888 5.208 4.320 0.000 0.000 0.322 504 A C -0.451 177.099 177.584 -0.057 0.000 1.187 504 A CA -0.702 51.278 52.037 -0.094 0.000 0.825 504 A CB 0.528 19.483 19.000 -0.074 0.000 1.164 504 A HN 0.916 nan 8.150 nan 0.000 0.498 505 I N 2.139 122.677 120.570 -0.054 0.000 2.382 505 I HA 0.194 4.365 4.170 0.000 0.000 0.286 505 I C -0.735 175.372 176.117 -0.018 0.000 1.002 505 I CA -0.628 60.657 61.300 -0.024 0.000 1.135 505 I CB 1.813 39.811 38.000 -0.003 0.000 1.288 505 I HN 0.606 nan 8.210 nan 0.000 0.448 506 D N 7.630 128.022 120.400 -0.014 0.000 2.336 506 D HA 0.219 4.859 4.640 0.000 0.000 0.249 506 D C 0.119 176.433 176.300 0.023 0.000 1.213 506 D CA 0.036 54.037 54.000 0.002 0.000 0.870 506 D CB 1.070 41.865 40.800 -0.008 0.000 1.076 506 D HN 0.454 nan 8.370 nan 0.000 0.483 507 M N 4.714 124.339 119.600 0.041 0.000 2.655 507 M HA 0.171 4.652 4.480 0.000 0.000 0.311 507 M C 0.814 177.160 176.300 0.077 0.000 1.229 507 M CA -0.356 54.980 55.300 0.060 0.000 0.972 507 M CB 0.034 32.667 32.600 0.055 0.000 1.366 507 M HN 0.402 nan 8.290 nan 0.000 0.500 508 L N -0.822 120.451 121.223 0.083 0.000 6.267 508 L HA -0.351 3.989 4.340 0.000 0.000 0.053 508 L C 0.193 177.160 176.870 0.162 0.000 2.435 508 L CA 1.165 56.072 54.840 0.112 0.000 1.548 508 L CB -1.551 40.567 42.059 0.098 0.000 2.870 508 L HN 0.450 nan 8.230 nan 0.000 1.048 509 A N -1.381 121.549 122.820 0.184 0.000 2.610 509 A HA 0.801 5.122 4.320 0.000 0.000 0.291 509 A C -0.728 176.917 177.584 0.100 0.000 1.086 509 A CA 0.516 52.704 52.037 0.252 0.000 0.677 509 A CB 2.170 21.475 19.000 0.509 0.000 1.278 509 A HN 0.610 nan 8.150 nan 0.000 0.414 510 T N -0.663 113.802 114.554 -0.149 0.000 2.739 510 T HA 0.693 5.043 4.350 0.000 0.000 0.303 510 T C -1.543 172.492 174.700 -1.109 0.000 1.389 510 T CA 0.275 61.922 62.100 -0.754 0.000 1.001 510 T CB 1.609 70.206 68.868 -0.451 0.000 1.436 510 T HN 1.735 nan 8.240 nan 0.000 0.500 511 S N 2.003 116.775 115.700 -1.546 0.000 2.775 511 S HA 0.669 5.139 4.470 0.000 0.000 0.277 511 S C -1.520 172.688 174.600 -0.654 0.000 1.156 511 S CA -0.625 57.055 58.200 -0.867 0.000 1.081 511 S CB 0.192 62.992 63.200 -0.666 0.000 1.054 511 S HN 0.720 nan 8.310 nan 0.000 0.482 512 N N 2.905 121.338 118.700 -0.444 0.000 2.369 512 N HA 0.442 5.182 4.740 0.000 0.000 0.287 512 N C -1.673 173.614 175.510 -0.372 0.000 1.067 512 N CA -0.435 52.344 53.050 -0.452 0.000 0.888 512 N CB 1.889 40.005 38.487 -0.618 0.000 1.616 512 N HN 0.305 nan 8.380 nan 0.000 0.482 513 V N 3.900 123.607 119.914 -0.344 0.000 2.364 513 V HA 0.403 4.524 4.120 0.000 0.000 0.272 513 V C -0.396 175.475 176.094 -0.371 0.000 1.036 513 V CA -0.404 61.750 62.300 -0.242 0.000 0.880 513 V CB -0.187 31.521 31.823 -0.192 0.000 0.991 513 V HN 0.520 nan 8.190 nan 0.000 0.460 514 F N 5.681 125.488 119.950 -0.238 0.000 2.438 514 F HA 0.382 4.909 4.527 0.000 0.000 0.360 514 F C 0.530 176.129 175.800 -0.335 0.000 1.118 514 F CA -0.089 57.731 58.000 -0.299 0.000 1.164 514 F CB 0.177 39.081 39.000 -0.161 0.000 1.131 514 F HN 0.267 nan 8.300 nan 0.000 0.527 515 L N 5.197 126.118 121.223 -0.504 0.000 2.456 515 L HA 0.381 4.721 4.340 0.000 0.000 0.257 515 L C -2.056 174.764 176.870 -0.084 0.000 1.162 515 L CA -2.163 52.482 54.840 -0.324 0.000 0.808 515 L CB 0.419 42.217 42.059 -0.435 0.000 1.136 515 L HN 0.299 nan 8.230 nan 0.000 0.466 516 P HA 0.022 nan 4.420 nan 0.000 0.264 516 P C 0.590 177.968 177.300 0.129 0.000 1.183 516 P CA 0.891 64.023 63.100 0.054 0.000 0.763 516 P CB 0.574 32.291 31.700 0.028 0.000 0.807 517 G N 0.743 109.610 108.800 0.111 0.000 2.217 517 G HA2 -0.199 3.762 3.960 0.000 0.000 0.246 517 G HA3 -0.199 3.762 3.960 0.000 0.000 0.246 517 G C 0.236 175.170 174.900 0.057 0.000 0.990 517 G CA -0.269 44.881 45.100 0.082 0.000 0.627 517 G HN 0.658 nan 8.290 nan 0.000 0.522 518 H N 0.177 119.228 119.070 -0.032 0.000 2.517 518 H HA 0.652 5.209 4.556 0.001 0.000 0.346 518 H C 0.451 175.802 175.328 0.038 0.000 1.222 518 H CA -0.354 55.683 56.048 -0.019 0.000 1.314 518 H CB 0.956 30.681 29.762 -0.062 0.000 1.609 518 H HN 0.232 nan 8.280 nan 0.000 0.571 519 R N 0.610 121.223 120.500 0.189 0.000 2.803 519 R HA 0.428 4.769 4.340 0.000 0.000 0.276 519 R C -0.572 175.792 176.300 0.107 0.000 0.978 519 R CA -0.845 55.322 56.100 0.112 0.000 0.939 519 R CB 1.847 32.194 30.300 0.077 0.000 1.179 519 R HN 0.398 nan 8.270 nan 0.000 0.472 520 I N 2.893 123.386 120.570 -0.128 0.000 2.342 520 I HA 0.306 4.477 4.170 0.000 0.000 0.291 520 I C 0.075 176.136 176.117 -0.094 0.000 1.010 520 I CA -0.091 60.991 61.300 -0.363 0.000 1.308 520 I CB 1.155 38.686 38.000 -0.782 0.000 1.400 520 I HN 0.432 nan 8.210 nan 0.000 0.488 521 M N 7.706 127.315 119.600 0.016 0.000 2.457 521 M HA 0.647 5.128 4.480 0.000 0.000 0.300 521 M C -2.113 174.244 176.300 0.096 0.000 1.141 521 M CA -0.618 54.728 55.300 0.077 0.000 0.901 521 M CB 2.454 35.121 32.600 0.112 0.000 1.687 521 M HN 0.382 nan 8.290 nan 0.000 0.449 522 V N 4.265 124.260 119.914 0.134 0.000 2.604 522 V HA 0.514 4.635 4.120 0.000 0.000 0.305 522 V C -1.153 175.071 176.094 0.216 0.000 1.043 522 V CA -0.307 62.087 62.300 0.156 0.000 0.888 522 V CB 2.387 34.284 31.823 0.123 0.000 0.995 522 V HN 1.017 nan 8.190 nan 0.000 0.429 523 Q N 3.989 123.892 119.800 0.173 0.000 2.271 523 Q HA 0.681 5.022 4.340 0.000 0.000 0.258 523 Q C -1.292 174.808 176.000 0.167 0.000 0.936 523 Q CA -0.572 55.323 55.803 0.154 0.000 0.909 523 Q CB 2.407 31.217 28.738 0.120 0.000 1.253 523 Q HN 0.624 nan 8.270 nan 0.000 0.440 524 V N 1.477 121.503 119.914 0.187 0.000 2.604 524 V HA 0.666 4.786 4.120 0.000 0.000 0.305 524 V C -0.332 175.804 176.094 0.071 0.000 1.043 524 V CA -0.282 62.132 62.300 0.189 0.000 0.888 524 V CB 1.780 33.784 31.823 0.302 0.000 0.995 524 V HN 0.828 nan 8.190 nan 0.000 0.429 525 S N 2.386 118.132 115.700 0.075 0.000 2.929 525 S HA 0.540 5.010 4.470 0.000 0.000 0.311 525 S C 0.115 174.748 174.600 0.055 0.000 1.213 525 S CA 0.105 58.253 58.200 -0.086 0.000 0.908 525 S CB 2.031 65.151 63.200 -0.133 0.000 1.287 525 S HN 0.585 nan 8.310 nan 0.000 0.594 526 S N 0.676 116.308 115.700 -0.114 0.000 2.846 526 S HA 0.461 4.932 4.470 0.000 0.000 0.249 526 S C -0.832 173.391 174.600 -0.628 0.000 1.028 526 S CA 0.045 58.011 58.200 -0.391 0.000 1.043 526 S CB 0.400 63.306 63.200 -0.489 0.000 0.990 526 S HN 0.889 nan 8.310 nan 0.000 0.564 527 S N 1.336 116.839 115.700 -0.328 0.000 2.567 527 S HA 0.711 5.181 4.470 0.000 0.000 0.270 527 S C -1.493 173.123 174.600 0.026 0.000 1.152 527 S CA -0.809 57.279 58.200 -0.186 0.000 0.835 527 S CB 1.777 64.857 63.200 -0.199 0.000 1.115 527 S HN 0.045 nan 8.310 nan 0.000 0.459 528 N N 0.316 119.104 118.700 0.146 0.000 2.976 528 N HA 0.298 5.038 4.740 0.000 0.000 0.220 528 N C -2.177 173.455 175.510 0.203 0.000 1.428 528 N CA -0.287 52.870 53.050 0.179 0.000 0.748 528 N CB 0.489 39.104 38.487 0.215 0.000 1.484 528 N HN 0.665 nan 8.380 nan 0.000 0.578 529 F N 3.929 123.901 119.950 0.037 0.000 2.458 529 F HA 0.703 5.230 4.527 0.001 0.000 0.336 529 F C -1.826 173.943 175.800 -0.051 0.000 1.114 529 F CA -2.103 55.901 58.000 0.005 0.000 0.987 529 F CB 2.178 41.194 39.000 0.027 0.000 1.130 529 F HN 0.171 nan 8.300 nan 0.000 0.458 530 P HA 0.076 nan 4.420 nan 0.000 0.263 530 P C 0.571 177.581 177.300 -0.484 0.000 1.448 530 P CA 0.126 62.529 63.100 -1.161 0.000 0.983 530 P CB 0.571 31.453 31.700 -1.363 0.000 1.481 531 K N 0.871 121.075 120.400 -0.326 0.000 2.044 531 K HA -0.139 4.181 4.320 0.000 0.000 0.210 531 K C -0.019 176.222 176.600 -0.598 0.000 1.049 531 K CA 1.607 57.638 56.287 -0.427 0.000 0.927 531 K CB -0.624 31.602 32.500 -0.457 0.000 0.713 531 K HN 0.096 nan 8.250 nan 0.000 0.443 532 Y N 0.885 121.164 120.300 -0.035 0.000 2.485 532 Y HA 0.218 4.768 4.550 0.000 0.000 0.345 532 Y C -0.292 175.667 175.900 0.099 0.000 0.998 532 Y CA -2.153 55.946 58.100 -0.001 0.000 1.059 532 Y CB 1.117 39.585 38.460 0.015 0.000 1.234 532 Y HN 0.138 nan 8.280 nan 0.000 0.461 533 D N 1.440 122.001 120.400 0.268 0.000 2.361 533 D HA 0.066 4.707 4.640 0.000 0.000 0.239 533 D C -0.504 175.980 176.300 0.306 0.000 1.200 533 D CA -0.344 53.847 54.000 0.320 0.000 0.915 533 D CB 0.738 41.660 40.800 0.203 0.000 1.170 533 D HN 0.511 nan 8.370 nan 0.000 0.444 534 R N 0.851 121.505 120.500 0.257 0.000 2.390 534 R HA 0.192 4.533 4.340 0.000 0.000 0.291 534 R C 0.564 176.962 176.300 0.164 0.000 1.070 534 R CA -0.715 55.488 56.100 0.172 0.000 1.014 534 R CB 0.390 30.704 30.300 0.025 0.000 1.007 534 R HN 0.438 nan 8.270 nan 0.000 0.466 535 N N 0.772 119.589 118.700 0.195 0.000 2.520 535 N HA -0.047 4.693 4.740 0.000 0.000 0.273 535 N C 0.575 176.189 175.510 0.172 0.000 1.155 535 N CA 0.119 53.271 53.050 0.171 0.000 0.967 535 N CB 1.190 39.760 38.487 0.138 0.000 1.092 535 N HN 0.642 nan 8.380 nan 0.000 0.457 536 S N 2.175 117.922 115.700 0.080 0.000 2.527 536 S HA -0.020 4.450 4.470 0.000 0.000 0.222 536 S C 0.347 174.942 174.600 -0.009 0.000 0.985 536 S CA -0.036 58.172 58.200 0.015 0.000 0.921 536 S CB -0.141 63.064 63.200 0.009 0.000 0.772 536 S HN 0.727 nan 8.310 nan 0.000 0.529 537 N N 1.048 119.765 118.700 0.028 0.000 2.741 537 N HA -0.141 4.599 4.740 0.000 0.000 0.250 537 N C 0.670 176.174 175.510 -0.011 0.000 1.115 537 N CA 1.535 54.591 53.050 0.010 0.000 0.724 537 N CB -2.152 36.323 38.487 -0.021 0.000 1.090 537 N HN 0.868 nan 8.380 nan 0.000 0.558 538 T N -5.599 108.950 114.554 -0.009 0.000 2.969 538 T HA 0.417 4.767 4.350 0.000 0.000 0.250 538 T C 1.427 176.118 174.700 -0.015 0.000 1.021 538 T CA 1.221 63.313 62.100 -0.014 0.000 1.003 538 T CB 0.830 69.689 68.868 -0.014 0.000 1.040 538 T HN 0.721 nan 8.240 nan 0.000 0.492 539 G N 0.951 109.740 108.800 -0.018 0.000 2.179 539 G HA2 -0.065 3.895 3.960 0.000 0.000 0.260 539 G HA3 -0.065 3.895 3.960 0.000 0.000 0.260 539 G C 0.547 175.432 174.900 -0.025 0.000 0.977 539 G CA 0.047 45.129 45.100 -0.032 0.000 0.641 539 G HN 1.017 nan 8.290 nan 0.000 0.533 540 G N -1.092 107.701 108.800 -0.011 0.000 2.535 540 G HA2 0.553 4.513 3.960 0.000 0.000 0.282 540 G HA3 0.553 4.513 3.960 0.000 0.000 0.282 540 G C 0.261 175.166 174.900 0.009 0.000 1.350 540 G CA 0.093 45.191 45.100 -0.004 0.000 1.039 540 G HN 0.905 nan 8.290 nan 0.000 0.509 541 V N 1.431 121.354 119.914 0.015 0.000 2.352 541 V HA 0.064 4.184 4.120 0.000 0.000 0.253 541 V C 1.518 177.638 176.094 0.043 0.000 1.083 541 V CA -0.006 62.313 62.300 0.032 0.000 0.993 541 V CB 0.136 31.973 31.823 0.022 0.000 1.111 541 V HN 0.588 nan 8.190 nan 0.000 0.490 542 I N 3.677 124.286 120.570 0.065 0.000 2.208 542 I HA -0.250 3.920 4.170 0.000 0.000 0.245 542 I C 2.469 178.625 176.117 0.065 0.000 1.097 542 I CA 1.950 63.291 61.300 0.068 0.000 1.363 542 I CB -0.193 37.866 38.000 0.099 0.000 1.051 542 I HN 0.678 nan 8.210 nan 0.000 0.413 543 A N 0.010 122.877 122.820 0.078 0.000 2.168 543 A HA -0.061 4.259 4.320 0.000 0.000 0.215 543 A C 2.040 179.649 177.584 0.041 0.000 1.152 543 A CA 0.968 53.044 52.037 0.066 0.000 0.716 543 A CB -0.262 18.785 19.000 0.079 0.000 0.794 543 A HN 0.258 nan 8.150 nan 0.000 0.465 544 R N 0.269 120.789 120.500 0.033 0.000 2.362 544 R HA 0.180 4.521 4.340 0.000 0.000 0.227 544 R C -0.464 175.844 176.300 0.013 0.000 0.905 544 R CA 0.086 56.197 56.100 0.018 0.000 1.067 544 R CB 0.114 30.422 30.300 0.012 0.000 1.078 544 R HN 0.620 nan 8.270 nan 0.000 0.516 545 E N 1.407 121.615 120.200 0.014 0.000 2.249 545 E HA 0.123 4.473 4.350 0.000 0.000 0.280 545 E C -0.095 176.505 176.600 0.000 0.000 1.016 545 E CA -0.407 55.996 56.400 0.005 0.000 0.830 545 E CB 1.108 30.810 29.700 0.003 0.000 1.081 545 E HN -0.136 nan 8.360 nan 0.000 0.395 546 Q N 1.906 121.703 119.800 -0.006 0.000 2.373 546 Q HA -0.005 4.335 4.340 0.000 0.000 0.255 546 Q C 0.945 176.933 176.000 -0.021 0.000 0.980 546 Q CA -0.035 55.761 55.803 -0.010 0.000 0.882 546 Q CB 1.131 29.862 28.738 -0.011 0.000 1.249 546 Q HN 0.511 nan 8.270 nan 0.000 0.438 547 L N 2.890 124.096 121.223 -0.027 0.000 2.043 547 L HA -0.257 4.084 4.340 0.000 0.000 0.212 547 L C 1.946 178.789 176.870 -0.046 0.000 1.075 547 L CA 2.208 57.021 54.840 -0.045 0.000 0.752 547 L CB -0.454 41.575 42.059 -0.050 0.000 0.891 547 L HN 0.708 nan 8.230 nan 0.000 0.432 548 E N -0.069 120.110 120.200 -0.035 0.000 2.204 548 E HA -0.213 4.137 4.350 0.000 0.000 0.195 548 E C 1.949 178.529 176.600 -0.033 0.000 0.990 548 E CA 1.391 57.771 56.400 -0.034 0.000 0.821 548 E CB -0.139 29.547 29.700 -0.025 0.000 0.750 548 E HN 0.670 nan 8.360 nan 0.000 0.477 549 E N -0.567 119.615 120.200 -0.029 0.000 2.358 549 E HA -0.000 4.350 4.350 0.000 0.000 0.195 549 E C 0.346 176.926 176.600 -0.034 0.000 1.010 549 E CA 0.036 56.420 56.400 -0.026 0.000 0.856 549 E CB 0.013 29.702 29.700 -0.019 0.000 0.795 549 E HN 0.354 nan 8.360 nan 0.000 0.504 550 M N 0.302 119.875 119.600 -0.046 0.000 2.202 550 M HA 0.145 4.625 4.480 0.000 0.000 0.316 550 M C -0.106 176.148 176.300 -0.076 0.000 1.138 550 M CA -0.165 55.099 55.300 -0.060 0.000 1.151 550 M CB 0.847 33.401 32.600 -0.077 0.000 1.422 550 M HN -0.025 nan 8.290 nan 0.000 0.471 551 C N 0.450 119.695 119.300 -0.090 0.000 2.529 551 C HA 0.617 5.077 4.460 0.000 0.000 0.329 551 C C 0.653 175.550 174.990 -0.155 0.000 1.194 551 C CA -0.834 58.127 59.018 -0.095 0.000 1.779 551 C CB 1.665 29.367 27.740 -0.064 0.000 2.322 551 C HN 0.905 nan 8.230 nan 0.000 0.500 552 T N 0.276 114.742 114.554 -0.146 0.000 2.868 552 T HA 0.635 4.986 4.350 0.000 0.000 0.292 552 T C -0.295 174.334 174.700 -0.120 0.000 1.028 552 T CA -0.323 61.668 62.100 -0.182 0.000 1.059 552 T CB 1.002 69.795 68.868 -0.126 0.000 0.991 552 T HN 1.150 nan 8.240 nan 0.000 0.531 553 A N 1.534 124.291 122.820 -0.104 0.000 2.393 553 A HA 0.638 4.958 4.320 0.000 0.000 0.306 553 A C -0.518 177.055 177.584 -0.019 0.000 1.050 553 A CA -0.907 51.112 52.037 -0.030 0.000 0.724 553 A CB 1.689 20.701 19.000 0.020 0.000 1.248 553 A HN 0.836 nan 8.150 nan 0.000 0.424 554 V N 3.461 123.360 119.914 -0.026 0.000 2.368 554 V HA 0.200 4.320 4.120 0.000 0.000 0.266 554 V C 0.145 176.188 176.094 -0.085 0.000 1.045 554 V CA -0.142 62.126 62.300 -0.054 0.000 0.899 554 V CB 0.131 31.939 31.823 -0.026 0.000 1.006 554 V HN 0.903 nan 8.190 nan 0.000 0.470 555 N N 4.839 123.388 118.700 -0.251 0.000 2.370 555 N HA 0.726 5.467 4.740 0.000 0.000 0.303 555 N C -0.781 174.547 175.510 -0.304 0.000 1.103 555 N CA -0.994 51.920 53.050 -0.227 0.000 0.848 555 N CB 1.909 40.201 38.487 -0.326 0.000 1.235 555 N HN 0.547 nan 8.380 nan 0.000 0.496 556 R N 1.413 121.891 120.500 -0.035 0.000 2.621 556 R HA 0.489 4.829 4.340 0.000 0.000 0.284 556 R C -1.188 175.062 176.300 -0.082 0.000 0.998 556 R CA -0.868 55.168 56.100 -0.105 0.000 0.895 556 R CB 1.762 31.946 30.300 -0.193 0.000 1.195 556 R HN 0.365 nan 8.270 nan 0.000 0.450 557 I N 3.539 124.072 120.570 -0.063 0.000 2.339 557 I HA 0.272 4.442 4.170 0.000 0.000 0.290 557 I C 0.273 176.309 176.117 -0.136 0.000 0.994 557 I CA -0.555 60.736 61.300 -0.014 0.000 1.191 557 I CB 0.979 39.070 38.000 0.152 0.000 1.343 557 I HN 0.474 nan 8.210 nan 0.000 0.458 558 H N 7.103 126.188 119.070 0.024 0.000 2.473 558 H HA 0.597 5.153 4.556 0.000 0.000 0.327 558 H C -0.093 175.265 175.328 0.051 0.000 1.105 558 H CA -0.606 55.426 56.048 -0.026 0.000 1.280 558 H CB 1.743 31.364 29.762 -0.235 0.000 1.450 558 H HN 0.520 nan 8.280 nan 0.000 0.492 559 R N 1.193 121.776 120.500 0.138 0.000 2.584 559 R HA 0.674 5.015 4.340 0.000 0.000 0.276 559 R C -0.761 175.591 176.300 0.086 0.000 1.046 559 R CA -1.052 55.120 56.100 0.120 0.000 0.906 559 R CB 2.160 32.522 30.300 0.103 0.000 1.215 559 R HN 0.831 nan 8.270 nan 0.000 0.449 560 G N 1.720 110.545 108.800 0.042 0.000 2.345 560 G HA2 0.163 4.123 3.960 0.000 0.000 0.285 560 G HA3 0.163 4.123 3.960 0.000 0.000 0.285 560 G C -2.705 172.138 174.900 -0.096 0.000 1.297 560 G CA -0.851 44.243 45.100 -0.011 0.000 0.875 560 G HN 0.292 nan 8.290 nan 0.000 0.506 561 P HA 0.030 nan 4.420 nan 0.000 0.217 561 P C 1.230 178.391 177.300 -0.232 0.000 1.150 561 P CA 1.375 64.372 63.100 -0.171 0.000 0.832 561 P CB 0.234 31.853 31.700 -0.135 0.000 0.787 562 E N -1.629 118.394 120.200 -0.295 0.000 2.442 562 E HA -0.025 4.325 4.350 0.000 0.000 0.195 562 E C 0.082 176.105 176.600 -0.961 0.000 1.030 562 E CA 0.624 56.709 56.400 -0.525 0.000 0.869 562 E CB -0.348 29.031 29.700 -0.536 0.000 0.857 562 E HN 0.539 nan 8.360 nan 0.000 0.505 563 H N 0.319 119.072 119.070 -0.529 0.000 2.380 563 H HA 0.174 4.731 4.556 0.000 0.000 0.231 563 H C -2.266 172.678 175.328 -0.639 0.000 1.415 563 H CA -1.553 53.826 56.048 -1.114 0.000 1.433 563 H CB 0.835 30.195 29.762 -0.669 0.000 1.544 563 H HN -0.070 nan 8.280 nan 0.000 0.503 564 P HA 0.049 nan 4.420 nan 0.000 0.230 564 P C -0.233 177.454 177.300 0.645 0.000 1.791 564 P CA -0.167 63.056 63.100 0.205 0.000 1.020 564 P CB 0.040 31.832 31.700 0.154 0.000 1.977 565 S N 2.948 118.974 115.700 0.544 0.000 2.558 565 S HA 0.114 4.585 4.470 0.000 0.000 0.293 565 S C 0.538 175.340 174.600 0.337 0.000 1.292 565 S CA 0.307 58.768 58.200 0.435 0.000 1.063 565 S CB -0.280 63.070 63.200 0.250 0.000 0.831 565 S HN 0.578 nan 8.310 nan 0.000 0.499 566 H N 0.148 119.257 119.070 0.066 0.000 3.014 566 H HA 0.491 5.047 4.556 0.000 0.000 0.337 566 H C -1.313 173.971 175.328 -0.073 0.000 1.320 566 H CA -0.977 55.021 56.048 -0.083 0.000 1.128 566 H CB 0.696 30.243 29.762 -0.358 0.000 1.862 566 H HN 0.549 nan 8.280 nan 0.000 0.536 567 I N 1.971 122.556 120.570 0.025 0.000 2.428 567 I HA 0.312 4.482 4.170 0.000 0.000 0.296 567 I C -0.684 175.512 176.117 0.131 0.000 0.985 567 I CA -1.002 60.303 61.300 0.009 0.000 1.260 567 I CB 1.109 39.100 38.000 -0.014 0.000 1.389 567 I HN 0.384 nan 8.210 nan 0.000 0.484 568 V N 8.296 128.282 119.914 0.119 0.000 2.348 568 V HA 0.305 4.426 4.120 0.000 0.000 0.270 568 V C 0.092 176.257 176.094 0.119 0.000 1.037 568 V CA -0.471 61.935 62.300 0.176 0.000 0.872 568 V CB 0.817 32.749 31.823 0.182 0.000 1.002 568 V HN 0.497 nan 8.190 nan 0.000 0.464 569 L N 7.816 129.099 121.223 0.100 0.000 2.295 569 L HA 0.476 4.816 4.340 0.000 0.000 0.285 569 L C -2.152 174.712 176.870 -0.010 0.000 1.035 569 L CA -1.803 53.029 54.840 -0.014 0.000 0.806 569 L CB 2.291 44.217 42.059 -0.223 0.000 1.214 569 L HN 0.396 nan 8.230 nan 0.000 0.426 570 P HA 0.132 nan 4.420 nan 0.000 0.260 570 P C -0.532 176.630 177.300 -0.230 0.000 1.651 570 P CA -0.227 62.696 63.100 -0.295 0.000 1.139 570 P CB 0.108 31.633 31.700 -0.293 0.000 1.756 571 I N 5.113 125.576 120.570 -0.178 0.000 2.441 571 I HA 0.225 4.395 4.170 0.000 0.000 0.287 571 I C 0.857 176.900 176.117 -0.123 0.000 1.049 571 I CA -0.446 60.796 61.300 -0.096 0.000 1.381 571 I CB 0.617 38.613 38.000 -0.007 0.000 1.409 571 I HN 0.200 nan 8.210 nan 0.000 0.523 572 I N 6.139 126.654 120.570 -0.093 0.000 2.406 572 I HA 0.309 4.479 4.170 0.000 0.000 0.290 572 I C 0.055 176.142 176.117 -0.051 0.000 0.999 572 I CA -0.948 60.301 61.300 -0.084 0.000 1.124 572 I CB 1.516 39.465 38.000 -0.084 0.000 1.289 572 I HN 0.471 nan 8.210 nan 0.000 0.441 573 K N 6.965 127.340 120.400 -0.042 0.000 2.323 573 K HA 0.693 5.013 4.320 0.000 0.000 0.259 573 K C -0.878 175.707 176.600 -0.025 0.000 0.947 573 K CA -0.403 55.867 56.287 -0.027 0.000 0.819 573 K CB 1.537 34.025 32.500 -0.021 0.000 1.109 573 K HN 0.573 nan 8.250 nan 0.000 0.429 574 R N 2.620 123.107 120.500 -0.022 0.000 2.817 574 R HA 0.584 4.925 4.340 0.000 0.000 0.268 574 R C -0.916 175.375 176.300 -0.015 0.000 1.027 574 R CA -1.113 54.977 56.100 -0.017 0.000 0.928 574 R CB 2.091 32.380 30.300 -0.018 0.000 1.228 574 R HN 0.529 nan 8.270 nan 0.000 0.469 575 K N 0.000 120.393 120.400 -0.011 0.000 2.780 575 K HA 0.000 4.320 4.320 0.000 0.000 0.191 575 K CA 0.000 56.281 56.287 -0.009 0.000 0.838 575 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 575 K HN 0.000 nan 8.250 nan 0.000 0.543